abbreviation,fullName,chargedFormula,charge,avgmolweight,monoisotopicweight,keggId,pubChemId,cheBIId,hmdb,pdmapName,reconMap,reconMap3,food_db,chemspider,biocyc,biggId,wikipedia,drugbank,seed,metanetx,knapsack,metlin,casRegistry,epa_id,inchiKey,inchiString,smiles
10fthf,"10-Formyltetrahydrofolate",C20H21N7O7,-2,473.4393,473.1658961,C00234,122347,15637,HMDB0000972,"",10fthf,10fthf,FDB022345,109092,"10-FORMYL-THF",10fthf,"10-formyl-tetrahydrofolate",,cpd00201,MNXM237,,5912,2800-34-2,,AUFGTPPARQZWDO-YUZLPWPTSA-L,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/p-2/t11?,13-/m0/s1",[H]OC1=NC(=NC2=C1N([H])C([H])(C([H])([H])N(C([H])=O)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])N2[H])N([H])[H]
10fthf5glu,"10-Formyltetrahydrofolate-[Glu](5)",C40H45N11O19,-6,0,0,,NaN,NaN,,"",10fthf5glu,10fthf5glu,,NaN,"",10fthf5glu,"",,,MNXM3428,,NaN,,,RGSLBOWMZCMTRA-UHFFFAOYSA-H,"InChI=1S/C40H51N11O19/c41-40-49-32-31(37(66)50-40)43-19(15-42-32)16-51(17-52)20-3-1-18(2-4-20)33(62)47-24(38(67)68)5-10-26(53)44-21(6-11-27(54)55)34(63)45-22(7-12-28(56)57)35(64)46-23(8-13-29(58)59)36(65)48-25(39(69)70)9-14-30(60)61/h1-4,17,19,21-25,43H,5-16H2,(H,44,53)(H,45,63)(H,46,64)(H,47,62)(H,48,65)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,67,68)(H,69,70)(H4,41,42,49,50,66)/p-6",[H]OC1=NC(=N[H])N([H])C2=C1N([H])C([H])(C([H])([H])N(C([H])=O)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])C([H])(C([O-])=O)C([H])([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])N2[H]
10fthf6glu,"10-Formyltetrahydrofolate-[Glu](6)",C45H51N12O22,-7,0,0,,NaN,NaN,,"",10fthf6glu,10fthf6glu,,NaN,"",10fthf6glu,"",,,MNXM3429,,NaN,,,SFFBEUFYOPMKMV-CWMPVMSNSA-G,"InChI=1S/C45H58N12O22/c46-45-55-36-35(38(67)56-45)48-21(17-47-36)18-57(19-58)22-3-1-20(2-4-22)37(66)54-28(44(78)79)9-15-33(63)52-26(42(74)75)7-13-31(61)50-24(40(70)71)5-11-29(59)49-23(39(68)69)6-12-30(60)51-25(41(72)73)8-14-32(62)53-27(43(76)77)10-16-34(64)65/h1-4,19,21,23-28,48H,5-18H2,(H,49,59)(H,50,61)(H,51,60)(H,52,63)(H,53,62)(H,54,66)(H,64,65)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H4,46,47,55,56,67)/p-7/t21?,23?,24?,25?,26?,27?,28-/m1/s1",[H]OC(=O)C([H])(N=C([O-])C([H])([H])C([H])([H])C([H])(N=C([O-])C([H])([H])C([H])([H])C([H])(N=C([O-])C([H])([H])C([H])([H])C([H])(N=C([O-])C([H])([H])C([H])([H])C([H])(N=C([O-])C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(C([H])=C1[H])N(C([H])=O)C([H])([H])C1([H])N([H])C2=C(N([H])C(=N[H])N=C2[O-])N([H])C1([H])[H])C(=O)O[H])C(=O)O[H])C(=O)O[H])C(=O)O[H])C(=O)O[H])C([H])([H])C([H])([H])C([O-])=O
10fthf7glu,"10-Formyltetrahydrofolate-[Glu](7)",C50H57N13O25,-8,0,0,,NaN,NaN,,"",10fthf7glu,10fthf7glu,,NaN,"",10fthf7glu,"",,,MNXM5422,,NaN,,,VTHHVZBTNSHUDD-UHFFFAOYSA-F,"InChI=1S/C50H65N13O25/c51-50-61-40-39(47(84)62-50)53-23(19-52-40)20-63(21-64)24-3-1-22(2-4-24)41(78)59-30(48(85)86)5-12-32(65)54-25(6-13-33(66)67)42(79)55-26(7-14-34(68)69)43(80)56-27(8-15-35(70)71)44(81)57-28(9-16-36(72)73)45(82)58-29(10-17-37(74)75)46(83)60-31(49(87)88)11-18-38(76)77/h1-4,21,23,25-31,53H,5-20H2,(H,54,65)(H,55,79)(H,56,80)(H,57,81)(H,58,82)(H,59,78)(H,60,83)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,85,86)(H,87,88)(H4,51,52,61,62,84)/p-8",[H]OC1=NC(=N[H])N([H])C2=C1N([H])C([H])(C([H])([H])N(C([H])=O)C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])C([H])(C([O-])=O)C([H])([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])N2[H]
10m3hddcaACP,"10-methyl-3-hydroxy-dodecanoyl-ACP",C24H45N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11509,,,NaN,,,,"",
10m3hundecACP,"10-methyl-3-hydroxy-undecanoyl-ACP",C23H43N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11559,,,NaN,,,,"",
10m3oddcaACP,"10-methyl-3-oxo-dodecanoyl-ACP",C24H43N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11508,,,NaN,,,,"",
10m3oundecACP,"10-methyl-3-oxo-undecanoyl-ACP",C23H41N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11558,,,NaN,,,,"",
10mddcaACP,"10-methyl-dodecanoyl-ACP",C24H45N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11511,,,NaN,,,,"",
10mtddec2eACP,"10-methyl-trans-dodec-2-enoyl-ACP",C24H43N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11510,,,NaN,,,,"",
10mtundec2eACP,"10-methyl-trans-undec-2-enoyl-ACP",C23H41N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11560,,,NaN,,,,"",
10mundecACP,"10-methyl-undecanoyl-ACP",C23H43N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11561,,,NaN,,,,"",
11_cis_retfa,"Fatty Acid 11-Cis-Retinol",C20H29OFULLR2CO,0,0,0,,NaN,NaN,,"",11_cis_retfa,11_cis_retfa,,NaN,"",11_cis_retfa,"",,,MNXM146564,,NaN,,,,"",
11docrtsl,"Cortexolone",C21H30O4,0,346.4605,346.2144094,C05488,53477676,NaN,HMDB0000015,"",11docrtsl,11docrtsl,FDB021872,NaN,"11-DEOXY-CORTISOL",11docrtsl,"Cortexolone",,cpd03268,MNXM163103,,5088,152-58-9,DTXSID8045642,WHBHBVVOGNECLV-OBQKJFGGSA-N,"InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1",[H]OC([H])([H])C(=O)[C@@]1(O[H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
11docrtstrn,"Deoxycorticosterone",C21H30O3,0,330.4611,330.2194948,C03205,6166,16973,HMDB0000016,"",11docrtstrn,11docrtstrn,FDB021873,5932,"11-DEOXYCORTICOSTERONE",11docrtstrn,"Deoxycorticosterone",,cpd02047,MNXM162887,,5089,64-85-7,DTXSID0045254,ZESRJSPZRDMNHY-YFWFAHHUSA-N,"InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1",[H]OC([H])([H])C(=O)[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
11m3hddcaACP,"11-methyl-3-hydroxy-dodecanoyl-ACP",C24H45N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11534,,,NaN,,,,"",
11m3oddcaACP,"11-methyl-3-oxo-dodecanoyl-ACP",C24H43N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11533,,,NaN,,,,"",
11mddcaACP,"11-methyl-dodecanoyl-ACP",C24H45N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11536,,,NaN,,,,"",
11mtddec2eACP,"11-methyl-trans-dodec-2-enoyl-ACP",C24H43N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11535,,,NaN,,,,"",
12daihdglyc,"1,2-Dianteisoheptadecanoyl-sn-glycerol",C37H72O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15702,,,NaN,,,,"",
12daipdglyc,"1,2-Dianteisopentadecanoyl-sn-glycerol",C33H64O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15705,,,NaN,,,,"",
12dgr120,"1,2-Diacyl-Sn-Glycerol (Didodecanoyl, N-C12:0)",C27H52O5,0,0,0,,NaN,NaN,,"",12dgr120,12dgr120,,NaN,"",12dgr120,"",,cpd15306,MNXM4939,,NaN,,,OQQOAWVKVDAJOI-UHFFFAOYSA-N,"InChI=1S/C27H52O5/c1-3-5-7-9-11-13-15-17-19-21-26(29)31-24-25(23-28)32-27(30)22-20-18-16-14-12-10-8-6-4-2/h25,28H,3-24H2,1-2H3",[H]OC([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
12dgr140,"1,2-Diacyl-sn-glycerol (ditetradecanoyl, n-C14:0)",C31H60O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",12dgr140,"",,cpd15307,MNXM146479,,NaN,,,,"",
12dgr141,"1,2-Diacyl-sn-glycerol (ditetradec-7-enoyl, n-C14:1)",C31H56O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",12dgr141,"",,cpd15308,MNXM4940,,NaN,,,,"",
12dgr160,"1,2-Diacyl-sn-glycerol (dihexadecanoyl, n-C16:0)",C35H68O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",12dgr160,"",,cpd15309,MNXM3132,,NaN,,,,"",
12dgr161,"1,2-Diacyl-sn-glycerol (dihexadec-9-enoyl, n-C16:1)",C35H64O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",12dgr161,"",,cpd15310,MNXM3774,,NaN,,,,"",
12dgr180,"1,2-Diacyl-sn-glycerol (dioctadecanoyl, n-C18:0)",C39H76O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",12dgr180,"",,cpd15311,MNXM4217,,NaN,,,,"",
12dgr181,"1,2-Diacyl-sn-glycerol (dioctadec-11-enoyl, n-C18:1)",C39H72O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",12dgr181,"",,cpd15312,MNXM3775,,NaN,,,,"",
12dhchol,"12-Dehydrocholic acid; 12-Oxodeoxycholic acid; 12oxo-3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid",C24H37O5,-1,0,0,,NaN,NaN,,"",,12dhchol,,NaN,"",,"",,,,,NaN,,,,"",
12dihdglyc,"1,2-Diisoheptadecanoyl-sn-glycerol",C37H72O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15701,,,NaN,,,,"",
12dipdglyc,"1,2-Diisopentadecanoyl-sn-glycerol",C33H64O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15704,,,NaN,,,,"",
12ditdglyc,"1,2-Diisotetradecanoyl-sn-glycerol",C31H60O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15703,,,NaN,,,,"",
12dixdglyc,"1,2-Diisohexadecanoyl-sn-glycerol",C35H68O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15706,,,NaN,,,,"",
12ethd,"1,2-Ethanediol",C2H6O2,0,0,0,,NaN,NaN,HMDB0037790,"",,,,NaN,"",,"",,cpd00992,,,NaN,,,,"",
12harachd,"12-HETE",C20H31O3,-1,320.4663,320.2351449,,5312983,NaN,HMDB0006111,"",12harachd,12harachd,FDB001435,4472408,"",12harachd,"",,,MNXM13977,C00000424,NaN,71030-37-0,,ZNHVWPKMFKADKW-FUOBAMOMSA-M,"InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/p-1/b9-7+,11-8?,13-10-,17-14?",[H]OC([H])(C(\[H])=C(\[H])/C(/[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
12HPET,"12(S)-HPETE",C20H31O4,-1,336.4657,336.2300595,C05965,5280892,15626,HMDB0004243,"",12HPET,12HPET,FDB023348,4444415,"",12HPET,"",,,MNXM13989,,7038,71774-10-2,DTXSID50349638,ZIOZYRSDNLNNNJ-APFHZBIOSA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/p-1/b9-7-,11-8-,13-10-,17-14?/t19-/m0/s1",[H]OO[C@]([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
12htacr,"12-HT or M-VI, 12-Hydroxy Tacrolimus",C44H69NO13,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
12m3hmyrsACP,"12-methyl-3-hydroxy-tetra-decanoyl-ACP",C26H49N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11513,,,NaN,,,,"",
12m3htridecACP,"12-methyl-3-hydroxy-tridecanoyl-ACP",C25H47N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11563,,,NaN,,,,"",
12m3omyrsACP,"12-methyl-3-oxo-tetra-decanoyl-ACP",C26H47N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11512,,,NaN,,,,"",
12m3otridecACP,"12-methyl-3-oxo-tridecanoyl-ACP",C25H45N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11562,,,NaN,,,,"",
12mmyrsACP,"12-methyl-tetra-decanoyl-ACP",C26H49N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11515,,,NaN,,,,"",
12mtmrs2eACP,"12-methyl-trans-tetra-dec-2-enoyl-ACP",C26H47N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11514,,,NaN,,,,"",
12mtridecACP,"12-methyl-tridecanoyl-ACP",C25H47N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11565,,,NaN,,,,"",
12mttritec2eACP,"12-methyl-trans-tridec-2-enoyl-ACP",C25H45N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11564,,,NaN,,,,"",
12npthldl,"1,2-Naphthalenediol",C10H8O2,0,0,0,,NaN,NaN,HMDB0060497,"",,,,NaN,"",,"",,cpd01932,,,NaN,,,,"",
12ppd_R,"Propylene glycol",C3H8O2,0,76.0944,76.0524295,C00583,1030,16997,HMDB0001881,"",12ppd_R,12ppd_R,FDB008274,13835224,"PROPANE-1,2-DIOL",12ppd__R,"1,2-Propanediol",,cpd01861,MNXM90191,C00007410,3220,57-55-6,DTXSID0021206,DNIAPMSPPWPWGF-UHFFFAOYSA-N,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3",[H]OC([H])([H])C([H])(O[H])C([H])([H])[H]
12ppd_S,"(S)-Propane-1,2-diol",C3H8O2,0,76.0944,76.0524295,C02917,439846,29002,HMDB0006213,"",12ppd_S,12ppd_S,FDB023838,388890,"",12ppd__S,"1,2-propanediol",,cpd00453,MNXM1255,,3220,4254-15-3,,DNIAPMSPPWPWGF-VKHMYHEASA-N,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])C([H])([H])[H]
12RHPET,"12R-Hydroperoxyeicosatetraenoate",C20H31O4,-1,0,0,,NaN,NaN,HMDB06222,"",12RHPET,,,NaN,"",12RHPET,"",,,MNXM13994,,NaN,,,ZIOZYRSDNLNNNJ-AUXIVJNKSA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/p-1/b9-7-,11-8-,13-10-,17-14?/t19-/m1/s1",[H]OO[C@@]([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
13_cis_oretn,"13-Cis-Oxo-Retinoic Acid",C20H27O3,-1,0,0,,NaN,NaN,,"",13_cis_oretn,13_cis_oretn,,NaN,"",13_cis_oretn,"",,,MNXM146866,,NaN,,,GGCUJPCCTQNTJF-FAOQNJJDSA-M,"InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/p-1/b8-6+,10-9+,14-7+,15-13-",[H]/C(=C(/[H])\C(=C(\[H])C([O-])=O)\C([H])([H])[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C(=O)C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H]
13_cis_retn,"13-cis-Retinoic acid",C20H27O2,-1,300.4351,300.2089301,D00348,5282379,6067,HMDB0006219,"",13_cis_retn,13_cis_retn,FDB023843,4445539,"",13_cis_retn,"13-cis-retinoic_acid",DB00982,,MNXM58377,,NaN,4759-48-2,DTXSID4023177,SHGAZHPCJJPHSC-XFYACQKRSA-M,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14-",[H]/C(=C(/[H])\C(=C(\[H])C([O-])=O)\C([H])([H])[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H]
13_cis_retnglc,"13-Cis-Retinoyl Glucuronide",C26H35O8,-1,476.5660095,476.2410181,,5281877,NaN,,"",13_cis_retnglc,13_cis_retnglc,,NaN,"",13_cis_retnglc,"",,,MNXM146867,,NaN,401-10-5,DTXSID40274187,MTGFYEHKPMOVNE-JZXLACIESA-M,"InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/p-1/b9-6+,12-11-,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1",[H]O[C@@]1([H])[C@]([H])(OC(=O)C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C([H])=C([H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])O[C@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@]1([H])O[H]
1331tacr,"13,31-O-Didesmethyl-Tacrolimus",C42H65NO12,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
13dampp,"1,3-Diaminopropane",C3H12N2,2,74.1249,74.08439833,C00986,428,15725,HMDB0000002,"",13dampp,13dampp,FDB005274,415,"CPD-313",13dampp,"",,cpd00726,MNXM146468,C00007404,5081,109-76-2,DTXSID1021906,XFNJVJPLKCPIBV-UHFFFAOYSA-P,"InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2/p+2",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
13dmt,"13-O-Desmethyl Tacrolimus, 13-DMT or M-I",C43H67NO12,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
13dpg,"Glyceric acid 1,3-biphosphate",C3H4O10P2,-4,266.0371,265.9592695,C00236,683,NaN,HMDB0001270,"3-phospho-D-glyceroyl dihydrogen phosphate;D-glyceraldehyde 3-phosphate",13dpg,13dpg,FDB022524,663,"DPG",13dpg,"1,3-Biphosphoglycerate",,cpd00203,MNXM261,,NaN,1981-49-3,,LJQLQCAXBUHEAZ-UWTATZPHSA-J,"InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/p-4/t2-/m1/s1",[H]O[C@@]([H])(C(=O)OP([O-])([O-])=O)C([H])([H])OP([O-])([O-])=O
13m3hmyrsACP,"13-methyl-3-hydroxy-tetra-decanoyl-ACP",C26H49N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11538,,,NaN,,,,"",
13m3omyrsACP,"13-methyl-3-oxo-tetra-decanoyl-ACP",C26H47N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11537,,,NaN,,,,"",
13mmyrsACP,"13-methyl-tetra-decanoyl-ACP",C26H49N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11540,,,NaN,,,,"",
13mtmrs2eACP,"13-methyl-trans-tetra-dec-2-enoyl-ACP",C26H47N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11539,,,NaN,,,,"",
13ppd,"Propane-1,3-diol",C3H8O2,0,0,0,C02457,5477,16109,,"",,,,NaN,"",13ppd,"",,cpd01618,MNXM2861,,3221,,,,"InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2",
14hmdz,"1,4-Dihydroxy-Midazolam",C18H13ClFN3O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
14m3hpalmACP,"14-methyl-3-hydroxy-hexa-decanoyl-ACP",C28H53N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11517,,,NaN,,,,"",
14m3hpentdecACP,"14-methyl-3-hydroxy-pentadecanoyl-ACP",C27H51N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11567,,,NaN,,,,"",
14m3opalmACP,"14-methyl-3-oxo-hexa-decanoyl-ACP",C28H51N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11516,,,NaN,,,,"",
14m3opentdecACP,"14-methyl-3-oxo-pentadecanoyl-ACP",C27H49N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11566,,,NaN,,,,"",
14mpalmACP,"14-methyl-hexa-decanoyl-ACP",C28H53N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11519,,,NaN,,,,"",
14mpentdecACP,"14-methyl-pentadecanoyl-ACP",C27H51N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11569,,,NaN,,,,"",
14mtpalm2eACP,"14-methyl-trans-hexa-dec-2-enoyl-ACP",C28H51N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11518,,,NaN,,,,"",
14mtpentdec2eACP,"14-methyl-trans-pentadec-2-enoyl-ACP",C27H49N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11568,,,NaN,,,,"",
1513tacr,"13,15-O-Didesmethyl Tacrolimus",C42H65NO12,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
1531tacr,"15, 31-O-Didesmethyl-Tacrolimus",C42H65NO12,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
15dap,"1,5-Diaminopentane",C5H16N2,2,0,0,C01672,273,18127,HMDB0002322,"",,,,13866593,"",15dap,"Cadaverine",DB03854,cpd01155,MNXM943,C00001403,NaN,462-94-2,,,"",
15dmt,"15-DMT or M-III, 15-O-Desmethyl Tacrolimus",C43H67NO12,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
15HPET,"15S-Hydroperoxyeicosatetraenoate",C20H31O4,-1,0,0,,5280893,NaN,,"",15HPET,15HPET,,NaN,"",15HPET,"",,cpd03555,MNXM162620,,NaN,,,BFWYTORDSFIVKP-VAEKSGALSA-M,"InChI=1S/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)/p-1/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1",[H]OO[C@]([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
15kprostgf2,"15-Keto-Prostaglandin F2A",C20H31O5,-1,0,0,,NaN,NaN,,"",,15kprostgf2,,NaN,"",,"",,,,,NaN,,,LOLJEILMPWPILA-AMFHKTBMSA-M,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4-,13-12+/t16-,17-,18+,19-/m1/s1",[H]O[C@]1([H])C([H])([H])[C@]([H])(O[H])[C@]([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@@]1([H])C(\[H])=C(/[H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
15m3hpalmACP,"15-methyl-3-hydroxy-hexa-decanoyl-ACP",C28H53N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11542,,,NaN,,,,"",
15m3opalmACP,"15-methyl-3-oxo-hexa-decanoyl-ACP",C28H51N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11541,,,NaN,,,,"",
15mpalmACP,"15-methyl-hexa-decanoyl-ACP",C28H53N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11544,,,NaN,,,,"",
15mtpalm2eACP,"15-methyl-trans-hexa-dec-2-enoyl-ACP",C28H51N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11543,,,NaN,,,,"",
15phytn,"15-cis-Phytoene",C40H64,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd03211,,,NaN,,,,"",
17ahprgnlone,"17a-Hydroxypregnenolone",C21H32O3,0,332.477,332.2351449,C05138,91451,28750,HMDB0000363,"",17ahprgnlone,17ahprgnlone,FDB021982,82579,"",17ahprgnlone,"17Œ±-Hydroxypregnenolone",,cpd03058,MNXM162733,,5352,387-79-1,,JERGUCIJOXJXHF-TVWVXWENSA-N,"InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@](O[H])(C(=O)C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
17ahprgstrn,"17-Hydroxyprogesterone",C21H30O3,0,330.4611,330.2194948,C01176,6238,17252,HMDB0000374,"",17ahprgstrn,17ahprgstrn,FDB021992,6002,"",17ahprgstrn,"17-Hydroxyprogesterone",,cpd00866,MNXM162621,,5363,68-96-2,DTXSID6040747,DBPWSSGDRRHUNT-CEGNMAFCSA-N,"InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1",[H]O[C@]1(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
18harachd,"18-Hydroxyarachidonic acid",C20H31O3,-1,320.4663,320.2351449,,11141754,91132,HMDB0006245,"",18harachd,18harachd,FDB023857,9316866,"",18harachd,"",,,MNXM14054,,NaN,124411-81-0,,PPCHNRUZQWLEMF-LFFPGIGVSA-M,"InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/p-1/b6-4-,7-5-,12-10-,13-11-/t19-/m1/s1",[H]O[C@]([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
1a2425thvitd2,"1-a,24R,25-Trihydroxyvitamin D2",C28H44O4,0,444.6466,444.3239599,,9547253,NaN,HMDB0006227,"",1a2425thvitd2,1a2425thvitd2,FDB023847,7826193,"",1a2425thvitd2,"",,,MNXM9596,,NaN,,,KRGCLKZOZQUAFK-ABEKVIRTSA-N,"InChI=1S/C28H44O4/c1-18(13-15-28(6,32)26(3,4)31)23-11-12-24-20(8-7-14-27(23,24)5)9-10-21-16-22(29)17-25(30)19(21)2/h9-10,13,15,18,22-25,29-32H,2,7-8,11-12,14,16-17H2,1,3-6H3/b15-13+,20-9+,21-10-/t18-,22-,23-,24+,25+,27-,28-/m1/s1",[H]O[C@]1([H])C(=C([H])[H])\C(=C(\[H])/C(/[H])=C2\C([H])([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3([H])[C@@]([H])(C(\[H])=C(/[H])[C@](O[H])(C([H])([H])[H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C1([H])[H]
1a2425thvitd3,"24-Hydroxycalcitriol",C27H44O4,0,432.6359,432.3239599,,6446280,47799,HMDB0006228,"",1a2425thvitd3,,FDB023848,4949843,"",1a2425thvitd3,"",,,MNXM9597,,NaN,56142-94-0,DTXSID40432720,WFZKUWGUJVKMHC-UKBUZQLGSA-N,"InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25-,27-/m1/s1",[H]O[C@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])\C(=C(/[H])\C(\[H])=C3/C(=C([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C3([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C(O[H])(C([H])([H])[H])C([H])([H])[H]
1a25dhvitd2,"Ercalcitriol",C28H44O3,0,428.6472,428.3290453,,9547243,86320,HMDB0006225,"",1a25dhvitd2,1a25dhvitd2,FDB023845,7826183,"",1a25dhvitd2,"",,,MNXM9598,,NaN,60133-18-8,DTXSID90429509,ZGLHBRQAEXKACO-XJRQOBMKSA-N,"InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1",[H]O[C@]1([H])C(=C([H])[H])\C(=C(\[H])/C(/[H])=C2\C([H])([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3([H])[C@@]([H])(C(\[H])=C(/[H])[C@]([H])(C([H])([H])[H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C1([H])[H]
1a25dhvitd3,"Calcitriol",C27H44O3,0,416.6365,416.3290453,C01673,5280453,17823,HMDB0001903,"",1a25dhvitd3,1a25dhvitd3,FDB021822,4444108,"CALCITRIOL",1a25dhvitd3,"Calcitriol",DB00136,,MNXM9599,,6382,32222-06-3,DTXSID5022722,GMRQFYUYWCNGIN-NKMMMXOESA-N,"InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1",[H]O[C@]1([H])C(=C([H])[H])\C(=C(\[H])/C(/[H])=C2\C([H])([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C1([H])[H]
1agpe120,"1-Acyl-sn-glycero-3-phosphoethanolamine (n-C12:0)",C17H36NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",1agpe120,"",,cpd15313,MNXM32692,,NaN,,,,"",
1agpe140,"1-Acyl-sn-glycero-3-phosphoethanolamine (n-C14:0)",C19H40NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",1agpe140,"",,cpd15314,MNXM32693,,NaN,,,,"",
1agpe141,"1-Acyl-sn-glycero-3-phosphoethanolamine (n-C14:1)",C19H38NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",1agpe141,"",,cpd15315,MNXM6599,,NaN,,,,"",
1agpe160,"1-Acyl-sn-glycero-3-phosphoethanolamine (n-C16:0)",C21H44NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",1agpe160,"",,cpd15316,MNXM32511,,NaN,,,,"",
1agpe161,"1-Acyl-sn-glycero-3-phosphoethanolamine (n-C16:1)",C21H42NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",1agpe161,"",,cpd15317,MNXM6601,,NaN,,,,"",
1agpe180,"1-Acyl-sn-glycero-3-phosphoethanolamine (n-C18:0)",C23H48NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",1agpe180,"",,cpd12547,MNXM32694,,NaN,,,,"",
1agpe181,"1-Acyl-sn-glycero-3-phosphoethanolamine (n-C18:1)",C23H46NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",1agpe181,"",,,MNXM9584,,NaN,,,,"",
1agpg120,"1-Acyl-sn-glycero-3-phosphoglycerol (n-C12:0)",C18H36O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",1agpg120,"",,cpd15318,MNXM32695,,NaN,,,,"",
1agpg140,"1-Acyl-sn-glycero-3-phosphoglycerol (n-C14:0)",C20H40O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",1agpg140,"",,cpd15319,MNXM6603,,NaN,,,,"",
1agpg141,"1-Acyl-sn-glycero-3-phosphoglycerol (n-C14:1)",C20H38O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",1agpg141,"",,cpd15320,MNXM6604,,NaN,,,,"",
1agpg160,"1-Acyl-sn-glycero-3-phosphoglycerol (n-C16:0)",C22H44O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",1agpg160,"",,cpd15321,MNXM6605,,NaN,,,,"",
1agpg161,"1-Acyl-sn-glycero-3-phosphoglycerol (n-C16:1)",C22H42O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",1agpg161,"",,cpd15322,MNXM6606,,NaN,,,,"",
1agpg180,"1-Acyl-sn-glycero-3-phosphoglycerol (n-C18:0)",C24H48O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",1agpg180,"",,cpd15323,MNXM6607,,NaN,,,,"",
1agpg181,"1-Acyl-sn-glycero-3-phosphoglycerol (n-C18:1)",C24H46O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",1agpg181,"",,cpd15324,MNXM73868,,NaN,,,,"",
1aihpdecg3p,"1-anteisoheptadecanoyl-sn-glycerol 3-phosphate (14-methyl-hexadecanoyl, anteiso-C17)",C20H39O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15672,,,NaN,,,,"",
1aipdecg3p,"1-anteisopentadecanoyl-sn-glycerol 3-phosphate (12-methyl-tetradecanoyl, anteiso-C15)",C18H36O7P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15675,,,NaN,,,,"",
1ddecg3p,"1-acyl-sn-glycerol 3-phosphate(2-)",C15H29O7P1,-2,0,0,,NaN,57970,,"",,,,NaN,"",1ddecg3p,"",,cpd15325,MNXM4232,,NaN,,,,"",
1glyc_hs,"1 Acyl Phosphoglycerol",C6H13O7PFULLRCO2,-1,0,0,,NaN,NaN,,"",1glyc_hs,1glyc_hs,,NaN,"",1glyc_hs,"",,,MNXM13807,,NaN,,,,"",
1h2npt,"1-Hydroxy-2-naphthoate",C11H7O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd02045,,,NaN,,,,"",
1hdec9eg3p,"1-hexadec-9-enoyl-sn-glycerol 3-phosphate",C19H35O7P1,-2,0,0,,NaN,NaN,,"",,,,NaN,"",1hdec9eg3p,"",,cpd15326,MNXM91047,,NaN,,,,"",
1hdecg3p,"1-hexadecanoyl-sn-glycerol 3-phosphate",C19H37O7P1,-2,0,0,,NaN,NaN,,"",,,,NaN,"",1hdecg3p,"",,cpd15327,MNXM90586,,NaN,,,,"",
1hibup_S,"1-Hydroxy S-Ibuprofen",C13H17O3,-1,0,0,,45117195,NaN,,"",,,,21686528,"",,"",,,,,NaN,,,,"",
1hibupglu_S,"1-hydroxy S-ibuprofen-glucuronide",C19H25O9,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
1hmdgluc,"1'-OH-Midazolam-Glucuronide",C24H20ClFN3O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
1ihdecg3p,"1-isohexadecanoyl-sn-glycerol 3-phosphate (14-methyl-pentadecanoyl, iso-C16)",C19H38O7P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15676,,,NaN,,,,"",
1ihpdecg3p,"1-isoheptadecanoyl-sn-glycerol 3-phosphate (15-methyl-hexadecanoyl, iso-C17)",C20H39O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15671,,,NaN,,,,"",
1ipdecg3p,"1-isopentadecanoyl-sn-glycerol 3-phosphate (13-methyl-tetradecanoyl, iso-C15)",C18H36O7P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15674,,,NaN,,,,"",
1itdecg3p,"1-isotetradecanoyl-sn-glycerol 3-phosphate (12-methyl-tridecanoyl, iso-C14)",C17H34O7P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15673,,,NaN,,,,"",
1mncam,"1-Methylnicotinamide",C7H9N2O,1,137.1592,137.0714879,C02918,457,16797,HMDB0000699,"",1mncam,1mncam,FDB022188,444,"CPD-396",1mncam,"",,,MNXM2172,,5667,3106-60-3,DTXSID10185019,LDHMAVIPBRSVRG-UHFFFAOYSA-O,"InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1",[H]N([H])C(=O)C1=C([H])[N+](=C([H])C([H])=C1[H])C([H])([H])[H]
1mpyr,"1-Methylpyrrolinium",C5H10N,1,84.1396,84.08132433,,NaN,27435,HMDB0060253,"",,,,NaN,"CPD-7994",1mpyr,"",,cpd03688,MNXM1615,,NaN,,,FDWZAOGDOVQOLD-UHFFFAOYSA-N,"InChI=1S/C5H10N/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3/q+1",[H]C1=[N+](C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]
1odec11eg3p,"1-octadec-11-enoyl-sn-glycerol 3-phosphate",C21H39O7P1,-2,0,0,,NaN,NaN,,"",,,,NaN,"",1odec11eg3p,"",,cpd15328,MNXM91049,,NaN,,,,"",
1odecg3p,"1-octadecanoyl-sn-glycerol 3-phosphate",C21H41O7P1,-2,0,0,,NaN,NaN,,"",,,,NaN,"",1odecg3p,"",,cpd15329,MNXM32950,,NaN,,,,"",
1ohmdz,"1'-OH-Midazolam",C18H13ClFN3O,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
1p2cbxl,"1-Pyrroline-2-carboxylic acid",C5H6NO2,-1,113.1146,113.0476785,C03564,440046,36761,HMDB0006875,"",,,FDB024129,389057,"DELTA1-PYRROLINE_2-CARBOXYLATE",1p2cbxl,"",,cpd02235,MNXM165560,,NaN,,,RHTAIKJZSXNELN-UHFFFAOYSA-M,"InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)/p-1",[H]C1([H])N=C(C([O-])=O)C([H])([H])C1([H])[H]
1p3h5c,"Pyrroline hydroxycarboxylic acid",C5H6NO3,-1,129.114,129.0425931,C04281,1059,27391,HMDB0001369,"",1p3h5c,1p3h5c,FDB022582,1030,"PYRROLINE-HYDROXY-CARBOXYLATE",1p3h5c,"",,cpd02625,MNXM114091,,6196,22573-88-2,,WFOFKRKDDKGRIK-IUYQGCFVSA-M,"InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h2-4,7H,1H2,(H,8,9)/p-1/t3-,4+/m0/s1",[H]O[C@@]1([H])C([H])=N[C@]([H])(C([O-])=O)C1([H])[H]
1p4h2cbxl,"1-Pyrroline-4-hydroxy-2-carboxylate",C5H6NO3,-1,0,0,,NaN,NaN,HMDB0002234,"",,,,NaN,"",,"",,cpd02626,,,NaN,,,,"",
1pipdn2c,"D-1-Piperideine-2-Carboxylic Acid",C6H9NO2,0,127.1412,127.0633285,C04092,1194,30912,HMDB0001084,"",1pipdn2c,1pipdn2c,FDB022415,1157,"delta(1)-piperideine-2-carboxylate",1pipdn2c,"",,cpd00922,MNXM911,,5992,2756-89-0,DTXSID80181962,GEJXSVNGWOSZPC-UHFFFAOYSA-N,"InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9)",[H]OC(=O)C1=NC([H])([H])C([H])([H])C([H])([H])C1([H])[H]
1pyr5c,"1-Pyrroline-5-Carboxylate",C5H6NO2,-1,113.1159973,113.0476785,C03912,1196,371,,"",1pyr5c,1pyr5c,,NaN,"",1pyr5c,"",,cpd02431,MNXM1617,,NaN,64199-88-8,DTXSID10331473,DWAKNKKXGALPNW-UHFFFAOYSA-M,"InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/p-1",[H]C1=NC([H])(C([O-])=O)C([H])([H])C1([H])[H]
1tdec7eg3p,"1-tetradec-7-enoyl-sn-glycerol 3-phosphate",C17H31O7P1,-2,0,0,,NaN,NaN,,"",,,,NaN,"",1tdec7eg3p,"",,cpd15330,MNXM91053,,NaN,,,,"",
1tdecg3p,"1-tetradecanoyl-sn-glycerol 3-phosphate",C17H33O7P1,-2,0,0,,NaN,NaN,,"",,,,NaN,"",1tdecg3p,"",,cpd15331,MNXM3426,,NaN,,,,"",
20ahchsterol,"20alpha-Hydroxycholesterol",C27H46O2,0,402.6529,402.3497807,C05500,440711,1296,HMDB0006283,"",20ahchsterol,20ahchsterol,FDB023876,389586,"20A-HYDROXY-CHOLESTEROL",20ahchsterol,"",,,MNXM164166,,NaN,516-72-3,,MCKLJFJEQRYRQT-APGJSSKUSA-N,"InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
21hprgnlone,"21-Hydroxypregnenolone",C21H32O3,0,0,0,,NaN,NaN,,"",,21hprgnlone,,NaN,"",,"",,,,,NaN,,,MOIQRAOBRXUWGN-ANWDBCJUSA-N,"InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15?,16?,17?,18+,20-,21-/m0/s1",[H]OC([H])([H])C(=O)[C@@]1([H])C([H])([H])C([H])([H])C2([H])C3([H])C([H])([H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
23camp,"2,3-Cyclic AMP",C10H11N5O6P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",23camp,"",,cpd01570,MNXM2598,,NaN,,,,"",
23ccmp,"2,3-Cyclic CMP",C9H11N3O7P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",23ccmp,"",,cpd01571,MNXM3148,,NaN,,,,"",
23cgmp,"2,3-Cyclic GMP",C10H11N5O7P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",23cgmp,"",,cpd03702,MNXM3149,,NaN,,,,"",
23cump,"Uridine 2',3'-cyclic phosphate",C9H10N2O8P,-1,306.166,306.0253019,C02355,439715,28637,HMDB0011640,"",,23cump,FDB028337,388781,"",23cump,"",,cpd01572,MNXM3150,,NaN,40632-52-8,,HWDMHJDYMFRXOX-XVFCMESISA-M,"InChI=1S/C9H11N2O8P/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)/p-1/t4-,6-,7-,8-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=O)[C@]2([H])OP([O-])(=O)O[C@]12[H]
23ddhb,"2,3-Dihydro-2,3-dihydroxybenzoate",C7H7O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",23ddhb,"",,cpd02566,MNXM114261,,NaN,,,,"",
23dh1i56dio,"2,3-Dihydro-1H-Indole-5,6-Dione",C8H7NO2,0,149.1490021,149.0476785,,NaN,NaN,,"",,23dh1i56dio,,NaN,"",,"",,,,,NaN,67992-45-4,DTXSID80218186,XDEURYRPQDIBSL-UHFFFAOYSA-N,"InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9H,1-2H2",[H]N1C2=C([H])C(=O)C(=O)C([H])=C2C([H])([H])C1([H])[H]
23dhb,"2,3-Dihydroxybenzoate",C7H5O4,-1,0,0,,NaN,NaN,HMDB0000397,"",,,,NaN,"",23dhb,"",,cpd00168,MNXM455,,NaN,,,,"",
23dhba,"(2,3-Dihydroxybenzoyl)adenylate",C17H17N5O10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",23dhba,"",,cpd02494,MNXM1978,,NaN,,,,"",
23dhdp,"2,3-Dihydrodipicolinate",C7H5NO4,-2,0,0,,NaN,NaN,HMDB0012247,"",,,,NaN,"",23dhdp,"",,cpd02120,MNXM163139,,NaN,,,,"",
23dhmb,"(R)-2,3-Dihydroxy-3-methylbutanoate",C5H9O4,-1,0,0,,NaN,NaN,HMDB0012141,"",,,,NaN,"",23dhmb,"",,cpd02498,MNXM114097,,NaN,,,,"",
23dhmp,"(R)-2,3-Dihydroxy-3-methylpentanoate",C6H11O4,-1,0,0,,NaN,NaN,HMDB0012140,"",,,,NaN,"",23dhmp,"",,cpd02535,MNXM1202,,NaN,,,,"",
23doguln,"2,3-Diketo-L-gulonate",C6H7O7,-1,192.1235,192.0270026,C04575,53477844,15622,HMDB0006511,"",23doguln,23doguln,FDB023950,NaN,"2,3-diketo-l-gulonate",23doguln,"",,cpd02784,MNXM958,,NaN,3445-22-5,DTXSID40331486,GJQWCDSAOUMKSE-STHAYSLISA-M,"InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/p-1/t2-,3+/m0/s1",[H]OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])C(=O)C(=O)C([O-])=O
23dpg,"2,3-Diphosphoglyceric acid",C3H3O10P2,-5,266.0371,265.9592695,C01159,186004,17720,HMDB0001294,"2,3-bisphospho-D-glyceric acid",23dpg,23dpg,FDB022538,161681,"23-DIPHOSPHOGLYCERATE",23dpg,"",,cpd00853,MNXM146487,,153,138-81-8,,XOHUEYCVLUUEJJ-UWTATZPHSA-I,"InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/p-5/t2-/m1/s1",[H]C([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)C([O-])=O
2425dhvitd2,"24R,25-Dihydroxyvitamin D2",C28H44O3,0,0,0,,NaN,NaN,,"",2425dhvitd2,2425dhvitd2,,NaN,"",2425dhvitd2,"",,,MNXM6764,,NaN,,,BPEQZNMKGFTMQE-XIMRHTDJSA-N,"InChI=1S/C28H44O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-27(5)24(13-14-25(21)27)20(2)15-17-28(6,31)26(3,4)30/h10-11,15,17,20,23-25,29-31H,1,7-9,12-14,16,18H2,2-6H3/b17-15+,21-10+,22-11-",[H]OC1([H])C([H])([H])\C(=C(/[H])\C(\[H])=C2/C([H])([H])C([H])([H])C([H])([H])C3(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])C3([H])C([H])(C(\[H])=C(/[H])C(O[H])(C([H])([H])[H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(=C([H])[H])C([H])([H])C1([H])[H]
2425dhvitd3,"Secalciferol",C27H44O3,0,416.6365,416.3290453,C07712,5281059,NaN,HMDB0060508,"",2425dhvitd3,2425dhvitd3,,4444517,"",2425dhvitd3,"",,,MNXM6763,,NaN,,DTXSID4021260,FCKJYANJHNLEEP-XRWYNYHCSA-N,"InChI=1S/C27H44O3/c1-18-8-12-22(28)17-21(18)11-10-20-7-6-16-27(5)23(13-14-24(20)27)19(2)9-15-25(29)26(3,4)30/h10-11,19,22-25,28-30H,1,6-9,12-17H2,2-5H3/b20-10+,21-11-/t19-,22+,23-,24+,25-,27-/m1/s1",[H]O[C@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])\C(=C(/[H])\C(\[H])=C3/C(=C([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C3([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C(O[H])(C([H])([H])[H])C([H])([H])[H]
24dhhed,"2,4-Dihydroxyhept-2-enedioate",C7H8O6,-2,0,0,C06201,NaN,58936,,"",,,,NaN,"",24dhhed,"",,cpd03708,MNXM1623,,NaN,,,,"InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h3-4,8-9H,1-2H2,(H,10,11)(H,12,13)/p-2",
24k3DoFcnt,"2,4-Diketo-3-deoxy-L-fuconate",C6H8O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
24nph,"4-Nitrocatechol",C6H5NO4,0,155.1082,155.0218577,C02235,3505109,16318,HMDB0002916,"",24nph,24nph,FDB023081,2745027,"CPD-158",24nph,"",,,MNXM9757,,NaN,,,XJNPNXSISMKQEX-UHFFFAOYSA-N,"InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H",[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])[N+]([O-])=O
24pentdcoa,"2,4-Pentadienoyl-CoA",C26H36N7O17P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
25aics,"SAICAR",C13H15N4O12P,-4,454.2833,454.0737086,C04823,160666,18319,HMDB0000797,"",25aics,25aics,FDB022251,141175,"P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE",25aics,"Phosphoribosylaminoimidazolesuccinocarboxamide",,cpd02921,MNXM32478,,5762,3031-95-6,DTXSID90184404,NAQGHJTUZRHGAC-GYAZKSLVSA-J,"InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/p-4/t4?,5-,8-,9-,12-/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC(C(=O)N([H])C([H])(C([O-])=O)C([H])([H])C([O-])=O)=C1N([H])[H]
25d5o2a,"Muconolactone",C6H5O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
25dhpp,"2,5-Diamino-6-hydroxy-4-(5-phosphoribosylamino)-pyrimidine",C9H14N5O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",25dhpp,"",,cpd00957,MNXM90906,,NaN,,,,"",
25dkglcn,"2,5-diketo-D-gluconate",C6H7O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",25dkglcn,"",,cpd01793,MNXM936,,NaN,,,,"",
25dop,"2,5-Dioxopentanoate",C5H5O4,-1,0,0,,NaN,NaN,HMDB0060365,"",,,,NaN,"",25dop,"",,cpd00340,MNXM165561,,NaN,,,,"",
25drapp,"2,5-Diamino-6-(ribosylamino)-4-(3H)-pyrimidinone 5-phosphate",C9H14N5O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",25drapp,"",,,MNXM648,,NaN,,,,"",
25hvitd2,"25-Hydroxyvitamin D2",C28H44O2,0,412.6478,412.3341307,,22833566,NaN,HMDB0001438,"",25hvitd2,25hvitd2,FDB022621,17216121,"",25hvitd2,"",,,MNXM4976,,NaN,21343-40-8,,KJKIIUAXZGLUND-BJWBXCNSSA-N,"InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25?,26+,28-/m1/s1",[H]O[C@]1([H])C([H])([H])\C(=C(/[H])\C(\[H])=C2/C([H])([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])C3([H])[C@@]([H])(C(\[H])=C(/[H])[C@]([H])(C([H])([H])[H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(=C([H])[H])C([H])([H])C1([H])[H]
25hvitd3,"Calcidiol",C27H44O2,0,400.6371,400.3341307,C01561,5283731,17933,HMDB0003550,"",25hvitd3,25hvitd3,FDB021782,4446820,"CALCIDIOL",25hvitd3,"Calcidiol",DB00146,,MNXM162388,C00040805,6949,19356-17-3,DTXSID0022721,JWUBBDSIWDLEOM-DTOXIADCSA-N,"InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])\C(=C(/[H])\C(\[H])=C2/C([H])([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C(=C([H])[H])C([H])([H])C1([H])[H]
26dap_LL,"LL-2,6-Diaminoheptanedioate",C7H14N2O4,0,0,0,,1549101,16488,HMDB0001370,"",,,,89700,"",26dap_LL,"LL-2,6-diaminoheptanedioate",,cpd00504,MNXM644,,NaN,583-93-7,,,"",
26dap_M,"Meso-2,6-Diaminoheptanedioate",C7H14N2O4,0,0,0,C00680,3949,NaN,HMDB01370,"",,,,89700,"",26dap__M,"",,cpd00516,MNXM529,,352,,,,"",
2acamsucc,"2-(Acetamidomethylene)succinate",C7H7NO5,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd00893,,,NaN,,,,"",
2aeppn,"Ciliatine",C2H7NO3P,-1,125.0636,125.0241796,C03557,339,15573,HMDB0011747,"",,,FDB028420,332,"CPD-1106",2aeppn,"",,cpd02233,,,NaN,2041-14-7,DTXSID10174362,QQVDJLLNRSOCEL-UHFFFAOYSA-N,"InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)",
2agpe120,"2-Acyl-sn-glycero-3-phosphoethanolamine (n-C12:0)",C17H36NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",2agpe120,"",,cpd15336,MNXM34808,,NaN,,,,"",
2agpe140,"2-Acyl-sn-glycero-3-phosphoethanolamine (n-C14:0)",C19H40NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",2agpe140,"",,cpd15337,MNXM34809,,NaN,,,,"",
2agpe141,"2-Acyl-sn-glycero-3-phosphoethanolamine (n-C14:1)",C19H38NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",2agpe141,"",,cpd15338,MNXM3447,,NaN,,,,"",
2agpe160,"2-Acyl-sn-glycero-3-phosphoethanolamine (n-C16:0)",C21H44NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",2agpe160,"",,cpd15339,MNXM34810,,NaN,,,,"",
2agpe161,"2-Acyl-sn-glycero-3-phosphoethanolamine (n-C16:1)",C21H42NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",2agpe161,"",,cpd15340,MNXM3448,,NaN,,,,"",
2agpe180,"2-Acyl-sn-glycero-3-phosphoethanolamine (n-C18:0)",C23H48NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",2agpe180,"",,cpd15341,MNXM34811,,NaN,,,,"",
2agpe181,"2-Acyl-sn-glycero-3-phosphoethanolamine (n-C18:1)",C23H46NO7P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",2agpe181,"",,cpd15342,MNXM3449,,NaN,,,,"",
2agpg120,"2-Acyl-sn-glycero-3-phosphoglycerol (n-C12:0)",C18H36O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2agpg120,"",,cpd15343,MNXM3450,,NaN,,,,"",
2agpg140,"2-Acyl-sn-glycero-3-phosphoglycerol (n-C14:0)",C20H40O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2agpg140,"",,cpd15344,MNXM34739,,NaN,,,,"",
2agpg141,"2-Acyl-sn-glycero-3-phosphoglycerol (n-C14:1)",C20H38O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2agpg141,"",,cpd15345,MNXM3452,,NaN,,,,"",
2agpg160,"2-Acyl-sn-glycero-3-phosphoglycerol (n-C16:0)",C22H44O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2agpg160,"",,cpd15346,MNXM34740,,NaN,,,,"",
2agpg161,"2-Acyl-sn-glycero-3-phosphoglycerol (n-C16:1)",C22H42O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2agpg161,"",,cpd15347,MNXM3453,,NaN,,,,"",
2agpg180,"2-Acyl-sn-glycero-3-phosphoglycerol (n-C18:0)",C24H48O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2agpg180,"",,cpd15348,MNXM150642,,NaN,,,,"",
2agpg181,"2-Acyl-sn-glycero-3-phosphoglycerol (n-C18:1)",C24H46O9P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2agpg181,"",,cpd15349,MNXM3455,,NaN,,,,"",
2ahbut,"(S)-2-Aceto-2-hydroxybutanoate",C6H9O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2ahbut,"",,cpd00498,MNXM114220,,NaN,,,,"",
2ahhmd,"2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine diphosphate",C7H8N5O8P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",2ahhmd,"",,,MNXM1160,,NaN,,,,"",
2ahhmp,"2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine",C7H9N5O2,0,0,0,C01300,NaN,NaN,,"",,,,NaN,"",2ahhmp,"",,,MNXM146055,,3335,,,,"",
2amac,"2-Aminoacrylic acid",C3H5NO2,0,87.0773,87.03202841,C02218,123991,17123,HMDB0003609,"",2amac,2amac,FDB023206,110510,"",2amac,"Dehydroalanine",DB02688,cpd01495,MNXM3414,,NaN,28453-71-6,DTXSID90173131,UQBOJOOOTLPNST-UHFFFAOYSA-N,"InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)",[H]C([H])=C(C([O-])=O)[N+]([H])([H])[H]
2ameph,"Ciliatine",C2H7NO3P,-1,125.064003,125.0241801,C03557,339,15573,HMDB0011747,"",,,FDB028420,332,"CPD-1106",2ameph,"",,,MNXM1692,,NaN,2041-14-7,DTXSID10174362,QQVDJLLNRSOCEL-UHFFFAOYSA-M,"InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)/p-1",[H][N+]([H])([H])C([H])([H])C([H])([H])P([O-])([O-])=O
2aobut,"L-2-Amino-3-oxobutanoic acid",C4H7NO3,0,117.1033,117.0425931,C03508,440033,40673,HMDB0006454,"",2aobut,2aobut,FDB023915,389046,"AMINO-OXOBUT",2aobut,"",,cpd02211,MNXM114087,,NaN,,,SAUCHDKDCUROAO-VKHMYHEASA-N,"InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1",[H]C([H])([H])C(=O)[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
2c23dh56dhoxin,"Leucodopachrome",C9H8NO4,-1,195.1721,195.0531578,C05604,161255,60872,HMDB0004067,"",2c23dh56dhoxin,2c23dh56dhoxin,FDB023297,141655,"",2c23dh56dhoxin,"",,,MNXM163662,C00051835,NaN,18766-67-1,DTXSID80172072,JDWYRSDDJVCWPB-LURJTMIESA-M,"InChI=1S/C9H9NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10-12H,1H2,(H,13,14)/p-1/t6-/m0/s1",[H]OC1=C([H])C2=C(C([H])=C1O[H])C([H])([H])[C@]([H])(N2[H])C([O-])=O
2c25dho,"2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate",C7H4O6,-2,0,0,C01278,4497,16993,,"",,,,NaN,"",2c25dho,"",,cpd00938,MNXM1521,,65574,,,,"InChI=1S/C7H6O6/c8-4(9)3-7(6(11)12)2-1-5(10)13-7/h1-2H,3H2,(H,8,9)(H,11,12)/p-2",
2coum,"Coumaric acid",C9H7O3,-1,164.158,164.0473441,C05838,5280841,28873,HMDB0041592,"",,,FDB021703,4444389,"",2coum,"Coumaric_acid",,cpd03468,MNXM3237,,NaN,495-79-4,,PMOWTIHVNWZYFI-WAYWQWQTSA-M,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/p-1/b6-5-",[H]OC1=C([H])C([H])=C([H])C([H])=C1\C([H])=C(\[H])C([O-])=O
2cpr5p,"1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate",C12H13NO9P,-3,0,0,,NaN,NaN,,"",,,,NaN,"",2cpr5p,"",,cpd00956,MNXM1455,,NaN,,,,"",
2d3dxylt,"2-Dehydro-3-deoxy-D-xylonate",C5H7O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd02386,,,NaN,,,,"",
2dda7p,"2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate",C7H10O10P,-3,0,0,,NaN,NaN,,"",,,,NaN,"",2dda7p,"",,cpd02857,MNXM1219,,NaN,,,,"",
2ddecdicoa,"2,6-Dodecadienoyl Coenzyme A",C33H50N7O17P3S,-4,0,0,,53480665,NaN,,"",2ddecdicoa,2ddecdicoa,,NaN,"",,"",,,,,NaN,,,BNPQDIKRZDRREL-GQUYLXGASA-J,"InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,12-13,20-22,26-28,32,43-44H,4-7,10-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b9-8-,13-12+/t22-,26-,27-,28+,32-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
2ddecg3p,"2-dodecanoyl-sn-glycerol 3-phosphate",C15H30O7P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2ddecg3p,"",,cpd15350,MNXM5461,,NaN,,,,"",
2ddg6p,"2-Dehydro-3-deoxy-D-gluconate 6-phosphate",C6H8O9P,-3,0,0,,NaN,NaN,,"",,,,NaN,"",2ddg6p,"",,cpd02711,MNXM649,,NaN,,,,"",
2ddglcn,"2-Dehydro-3-deoxy-D-gluconate",C6H9O6,-1,0,0,C00204,3504,17032,,"",,,,NaN,"",2ddglcn,"",,cpd00176,MNXM1627,,NaN,,,,"",
2ddpent,"2-Dehydro-3-deoxy-L-pentonate",C5H7O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd00520,,,NaN,,,,"",
2decdicoa,"2,7-Decadienoyl Coenzyme A",C31H46N7O17P3S,-4,0,0,,NaN,NaN,,"",2decdicoa,2decdicoa,,NaN,"",,"",,,,,NaN,,,CDCJVILOANYHMI-CPAJBTEKSA-J,"InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h5-6,10-11,18-20,24-26,30,41-42H,4,7-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b6-5-,11-10+/t20-,24-,25-,26+,30-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
2dh3dgal,"2-Dehydro-3-deoxy-D-galactonate",C6H9O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2dh3dgal,"",,cpd00894,MNXM1627,,NaN,,,,"",
2dh3dgal6p,"2-Dehydro-3-deoxy-D-galactonate 6-phosphate",C6H8O9P,-3,0,0,,NaN,NaN,,"",,,,NaN,"",2dh3dgal6p,"",,cpd00945,MNXM90136,,NaN,,,,"",
2dh3dglc,"2-Dehydro-3-deoxy-D-glucarate",C6H6O7,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd02439,,,NaN,,,,"",
2Dh3DoFcnt,"2-Dehydro-3-deoxy-L-fuconate",C6H10O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
2dhglcn,"2-Dehydro-D-gluconate",C6H9O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2dhglcn,"",,cpd00480,MNXM582,,NaN,,,,"",
2dhguln,"2-Dehydro-L-gulonate",C6H9O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2dhguln,"",,cpd15351,MNXM114283,,NaN,,,,"",
2dhp,"2-Dehydropantoate",C6H9O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2dhp,"",,cpd00712,MNXM959,,NaN,,,,"",
2dmmq7,"2-Demethylmenaquinone 7",C45H62O2,0,0,0,C05818,NaN,NaN,,"",,,,NaN,"",2dmmq7,"",,cpd11425,MNXM164125,,NaN,,,,"",
2dmmq8,"2-Demethylmenaquinone 8",C50H70O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",2dmmq8,"",,cpd15352,MNXM2178,,NaN,,,,"",
2dmmql8,"2-Demethylmenaquinol 8",C50H72O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",2dmmql8,"",,cpd15353,MNXM558,,NaN,,,,"",
2docohexecoa,"2,7,10,13,16,19-Docosahexenoyl Coenzyme A",C43H62N7O17P3S,-4,0,0,,NaN,NaN,,"",2docohexecoa,2docohexecoa,,NaN,"",,"",,,,,NaN,,,HGVXUTAEZALTIG-XHTFRJCKSA-J,"InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,22-23,30-32,36-38,42,53-54H,4,7,10,13,16,19-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5+,9-8+,12-11+,15-14+,18-17+,23-22+/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
2docopencoa,"2,7,10,13,16-Docosapentenoyl Coenzyme A",C43H64N7O17P3S,-4,0,0,,NaN,NaN,,"",2docopencoa,2docopencoa,,NaN,"",,"",,,,,NaN,,,XSIBQUOFLNIVEK-XPBIURITSA-J,"InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,22-23,30-32,36-38,42,53-54H,4-7,10,13,16,19-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b9-8-,12-11-,15-14-,18-17-,23-22+/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
2dodtricoa,"2,6,9-Dodecatrienoyl Coenzyme A",C33H48N7O17P3S,-4,0,0,,NaN,NaN,,"",2dodtricoa,2dodtricoa,,NaN,"",,"",,,,,NaN,,,XGHIPSZYSVQIHM-JHHAAFDISA-J,"InChI=1S/C33H52N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h5-6,8-9,12-13,20-22,26-28,32,43-44H,4,7,10-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b6-5-,9-8-,13-12+/t22-,26-,27-,28+,32-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
2dp6mep,"2-Decaprenyl-6-methoxyphenol",C57H88O2,0,805.3074,804.6784321,,NaN,50774,HMDB0060250,"",2dp6mep,2dp6mep,,NaN,"CPD-9865",2dp6mep,"",,,MNXM91882,,NaN,,,FYLLWSGFAAQKHU-GBBROCKZSA-N,"InChI=1S/C57H88O2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)43-44-55-41-22-42-56(59-12)57(55)58/h22-23,25,27,29,31,33,35,37,39,41-43,58H,13-21,24,26,28,30,32,34,36,38,40,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-43+",[H]OC1=C(C([H])=C([H])C([H])=C1OC([H])([H])[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
2dp6mobq,"2-Decaprenyl-6-methoxy-1,4-benzoquinone",C57H86O3,0,819.2909,818.6576966,,NaN,50773,HMDB0060248,"",2dp6mobq,2dp6mobq,,NaN,"CPD-11659",2dp6mobq,"",,,MNXM9806,,NaN,,,POYJNCVGTDCCPK-RDSVHMIISA-N,"InChI=1S/C57H86O3/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58)43-56(60-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C1=C([H])C(=O)C([H])=C(OC([H])([H])[H])C1=O)\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
2dp6mobq_me,"2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinone",C58H88O3,0,833.3175,832.6733467,,NaN,50772,HMDB0060251,"",2dp6mobq_me,2dp6mobq_me,,NaN,"CPD-11660",2dp6mobq_me,"",,,MNXM9803,,NaN,,,DLBRMPAESNEOJM-RGIWONJESA-N,"InChI=1S/C58H88O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C1=C(C(=O)C([H])=C(OC([H])([H])[H])C1=O)C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
2dpmhobq,"2-Decaprenyl-5-Hydroxy-6-Methoxy-3-Methyl-1,4-Benzoquinone",C58H88O4,0,0,0,,NaN,NaN,,"",2dpmhobq,2dpmhobq,,NaN,"",2dpmhobq,"",,,MNXM9802,,NaN,,,ONGWDJKIJUAIOD-AVRCVIBKSA-N,"InChI=1S/C58H88O4/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)55(59)57(61)58(62-13)56(54)60/h23,25,27,29,31,33,35,37,39,41,61H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+",[H]OC1=C(OC([H])([H])[H])C(=O)C(=C(C1=O)C([H])([H])[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
2dr1p,"Deoxyribose 1-phosphate",C5H9O7P,-2,214.1104,214.0242392,C00672,439287,28542,HMDB0001351,"",2dr1p,2dr1p,FDB022571,388420,"DEOXY-RIBOSE-1P",2dr1p,"",,cpd00509,MNXM789,,6182,17210-42-3,,KBDKAJNTYKVSEK-PYHARJCCSA-L,"InChI=1S/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/p-2/t3-,4+,5?/m0/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(OP([O-])([O-])=O)C([H])([H])[C@]1([H])O[H]
2dr5p,"Deoxyribose 5-phosphate",C5H9O7P,-2,214.1104,214.0242392,C00673,45934311,16132,HMDB0001031,"",2dr5p,2dr5p,FDB022380,25057464,"DEOXY-RIBOSE-5P",2dr5p,"",,cpd00510,MNXM2179,,5956,102916-66-5,,KKZFLSZAWCYPOC-PYHARJCCSA-L,"InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/p-2/t3-,4+,5?/m0/s1",[H]OC1([H])O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])C1([H])[H]
2h3mv,"2-Hydroxy-3-Methyl-Valerate",C6H11O3,-1,0,0,,NaN,NaN,,"",,2h3mv,,NaN,"",,"",,,,,NaN,,,RILPIWOPNGRASR-RFZPGFLSSA-M,"InChI=1S/C6H12O3/c1-3-4(2)5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/p-1/t4-,5-/m1/s1",[H]O[C@@]([H])(C([O-])=O)[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
2h3oppan,"2-Hydroxy-3-oxopropanoate",C3H3O4,-1,0,0,,NaN,NaN,HMDB0006938,"",,,,NaN,"",2h3oppan,"",,cpd00843,MNXM475,,NaN,,,,"",
2hatvacid,"2-Hydroxy-Atorvastatin-Acid / Ortho-Hydroxy-Atorvastatin-Acid",C33H34FN2O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
2hatvacidgluc,"2-Hydroxy-Atorvastatin-Acyl-Glucuronide",C39H42FN2O12,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
2hatvlac,"2-Hydroxy-Atorvastatin-Lactone / Ortho-Hydroxy-Atorvastatin-Lactone",C33H33FN2O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
2hatvlacgluc,"2-Hydroxy-Atorvastatin-Lactone-Glucuronide",C39H40FN2O11,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
2hb,"2-Hydroxybutyric acid",C4H7O3,-1,104.1045,104.0473441,C05984,11266,1148,HMDB0000008,"",2hb,2hb,FDB021867,10792,"CPD-3564",2hb,"2-Hydroxybutyric acid",,cpd03561,MNXM4968,,3783,600-15-7,DTXSID8041903,AFENDNXGAFYKQO-UHFFFAOYSA-M,"InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1",[H]OC([H])(C([O-])=O)C([H])([H])C([H])([H])[H]
2hdec9eg3p,"2-hexadec-9-enoyl-sn-glycerol 3-phosphate",C19H36O7P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2hdec9eg3p,"",,cpd15354,MNXM5464,,NaN,,,,"",
2hdecg3p,"2-hexadecanoyl-sn-glycerol 3-phosphate",C19H38O7P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2hdecg3p,"",,cpd15355,MNXM5465,,NaN,,,,"",
2hexdtetcoa,"2,7,10,13-Hexadecatetraenoyl Coenzyme A",C37H54N7O17P3S,-4,0,0,,NaN,NaN,,"",2hexdtetcoa,2hexdtetcoa,,NaN,"",,"",,,,,NaN,,,GIKPDPXCUAJUFG-AZKNSBQASA-J,"InChI=1S/C37H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h5-6,8-9,11-12,16-17,24-26,30-32,36,47-48H,4,7,10,13-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b6-5-,9-8-,12-11-,17-16+/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
2hexdtricoa,"2,7,10-Hexadecatrienoyl Coenzyme A",C37H56N7O17P3S,-4,0,0,,NaN,NaN,,"",2hexdtricoa,2hexdtricoa,,NaN,"",,"",,,,,NaN,,,WJHWJZSGWIEAAU-YLEUZIDYSA-J,"InChI=1S/C37H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h8-9,11-12,16-17,24-26,30-32,36,47-48H,4-7,10,13-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b9-8-,12-11-,17-16+/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
2hh24dd,"2-Hydroxyhepta-2-4-dienedioate",C7H6O5,-2,0,0,C05600,7923,78626,,"",,,,NaN,"",2hh24dd,"",,cpd03326,MNXM146251,,NaN,,,,"InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-3,8H,4H2,(H,9,10)(H,11,12)/p-2/b2-1+,5-3-",
2hibup_R,"2-Hydroxy-R-Ibuprofen",C13H17O3,-1,0,0,,NaN,NaN,HMDB0060920,"",,,,NaN,"",,"",,,,,NaN,,,,"",
2hibup_S,"2-Hydroxy-S-Ibuprofen",C13H17O3,-1,0,0,,NaN,NaN,HMDB0060920,"",,,,NaN,"",,"",,,,,NaN,,,,"",
2hibupglu_S,"2-hydroxy S-ibuprofen-glucuronide",C19H25O9,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
2hiv,"2-Hydroxy-Isovalerate",C5H9O3,-1,0,0,,NaN,NaN,,"",,2hiv,,NaN,"",,"",,,,,NaN,,,NGEWQZIDQIYUNV-UHFFFAOYSA-M,"InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/p-1",[H]OC([H])(C([O-])=O)C([H])(C([H])([H])[H])C([H])([H])[H]
2hmc,"2-Hydroxymuconate",C6H4O5,-2,0,0,,NaN,NaN,,"",,,,NaN,"",2hmc,"",,cpd01644,MNXM6068,,NaN,,,,"",
2hxic_L,"2-Hydroxy-Isocaproate",C6H11O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2hxic__L,"",,,,,NaN,,,LVRFTAZAXQPQHI-UHFFFAOYSA-M,"InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/p-1",[H]OC([H])(C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
2hydog,"2-Hydroxy-Glutarate",C5H6O5,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HWXBTNAVRSUOJR-UHFFFAOYSA-L,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/p-2",[H]OC([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O
2hydogcoa,"2-Hydroxyglutaryl-CoA",C26H38N7O20P3S,-4,0,0,C03058,11966206,28578,,"",,,,NaN,"",,"",,cpd01957,,,63267,,,,"",
2hymeph,"2-(Hydroxymethyl)phenol",C7H8O2,0,0,0,C06191,NaN,NaN,HMDB0059709,"",,,,NaN,"",2hymeph,"",,,MNXM1855,,NaN,,,,"",
2hyoxplac,"Ortho-Hydroxyphenylacetic acid",C8H7O3,-1,152.1473,152.0473441,C05852,11970,28478,HMDB0000669,"",2hyoxplac,2hyoxplac,FDB012331,11476,"",2hyoxplac,"",,cpd03480,MNXM2160,,5639,614-75-5,DTXSID1060633,CCVYRRGZDBSHFU-UHFFFAOYSA-M,"InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)/p-1",[H]OC1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C([O-])=O
2ins,"2-Inosose",C6H10O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",2ins,"",,cpd00524,MNXM676,,NaN,,,,"",
2ippm,"2-Isopropylmaleate",C7H8O4,-2,0,0,,NaN,NaN,HMDB0012241,"",,,,NaN,"",2ippm,"",,cpd01710,MNXM1706,,NaN,,,,"",
2kmb,"2-Oxo-4-methylthiobutanoic acid",C5H7O3S,-1,148.18,148.0194148,C01180,473,33574,HMDB0001553,"",2kmb,2kmb,FDB011626,460,"CPD-479",2kmb,"",,cpd00869,MNXM276,C00007474,6319,583-92-6,DTXSID50207027,SXFSQZDSUWACKX-UHFFFAOYSA-M,"InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)/p-1",[H]C([H])([H])SC([H])([H])C([H])([H])C(=O)C([O-])=O
2m1hbtpp,"2-Methyl-1-hydroxybutyl-ThPP",C17H26N4O8P2S,-2,511.447,511.1181326,C15978,23724627,NaN,HMDB0012310,"",,,FDB028932,NaN,"",,"",,cpd14702,,,NaN,,,CUBSXOWPMAOFDG-MYHCZTBNSA-O,"",
2m1hptpp,"2-Methyl-1-hydroxypropyl-TPP",C16H24N4O8P2S,-2,0,0,,NaN,NaN,HMDB0006866,"",,,,NaN,"",,"",,cpd14700,,,NaN,,,,"",
2m3hbu,"2-Methyl-3-Hydroxy-Butyrate",C5H9O3,-1,0,0,,NaN,NaN,,"",,2m3hbu,,NaN,"",,"",,,,,NaN,,,VEXDRERIMPLZLU-UHFFFAOYSA-M,"InChI=1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/p-1",[H]OC([H])(C([H])([H])[H])C([H])(C([O-])=O)C([H])([H])[H]
2m3hvac,"2-Methyl-3-Hydroxy-Valerate",C6H11O3,-1,0,0,,NaN,NaN,,"",,2m3hvac,,NaN,"",,"",,,,,NaN,,,NVIHALDXJWGLFD-UHFFFAOYSA-M,"InChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/p-1",[H]OC([H])(C([H])([H])C([H])([H])[H])C([H])(C([O-])=O)C([H])([H])[H]
2m3ovac,"2-Methyl-3-Oxo-Valerate",C6H9O3,-1,0,0,,NaN,NaN,,"",,2m3ovac,,NaN,"",,"",,,,,NaN,,,QTLYPQZWYOHATR-UHFFFAOYSA-M,"InChI=1S/C6H10O3/c1-3-5(7)4(2)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1",[H]C([H])([H])C([H])([H])C(=O)C([H])(C([O-])=O)C([H])([H])[H]
2m3ovcoa,"2-Methyl-3-Oxo-Valeryl Coenzyme A",C27H40N7O18P3S,-4,0,0,,NaN,NaN,,"",,2m3ovcoa,,NaN,"",,"",,,,,NaN,,,KQGBVZCGKIYZSZ-UHFFFAOYSA-J,"InChI=1S/C27H44N7O18P3S/c1-5-15(35)14(2)26(40)56-9-8-29-17(36)6-7-30-24(39)21(38)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-20(51-53(41,42)43)19(37)25(50-16)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,16,19-21,25,37-38H,5-11H2,1-4H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C(=O)C([H])([H])C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
2maacoa,"2-Methylacetoacetyl-CoA",C26H38N7O18P3S,-4,865.634,865.1519878,C03344,53,15476,HMDB0001157,"",2maacoa,2maacoa,FDB022455,52,"2-METHYL-ACETO-ACETYL-COA",2maacoa,"",,cpd02124,MNXM524,,6040,,,NHNODHRSCRALBF-NQNBQJKNSA-J,"InChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t13?,15-,18-,19-,20+,24-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C(=O)C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
2mahmp,"2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate",C6H8N3O7P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",2mahmp,"",,cpd02894,MNXM1135,,NaN,,,,"",
2mb2coa,"Tiglyl-CoA",C26H38N7O17P3S,-4,849.635,849.1570732,C03345,5280564,15478,HMDB0002054,"",2mb2coa,2mb2coa,FDB022819,4444187,"TIGLYL-COA",2mb2coa,"Tiglyl-CoA",,cpd02125,MNXM609,,448,6247-62-7,,PMWATMXOQQZNBX-SMRBIBNPSA-J,"InChI=1S/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h5,12-13,15,18-20,24,35-36H,6-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/b14-5+/t15-,18-,19-,20+,24-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
2mbcoa,"2-Methylbutyryl-CoA",C26H40N7O17P3S,-4,851.651,851.1727232,C01033,439371,15477,HMDB0001041,"",2mbcoa,2mbcoa,FDB022387,388491,"2-METHYL-BUTYRYL-COA",2mbcoa,"",,cpd00760,MNXM569,,5960,,,LYNVNYDEQMMNMZ-XGXNYEOVSA-J,"InChI=1S/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h12-15,18-20,24,35-36H,5-11H2,1-4H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t14?,15-,18-,19-,20+,24-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
2mbut,"Ethylmethylacetic acid",C5H9O2,-1,102.1317,102.0680796,C18319,8314,37070,HMDB0002176,"",,,FDB008135,8012,"BENZYL-2R3S-2-METHYL-3-HYDROXYBUTANOA",,"",,,,C00029461,6528,116-53-0,DTXSID5021621,WLAMNBDJUVNPJU-UHFFFAOYSA-N,"",
2mbutACP,"2-methylbutanoyl-ACP,2-methylbutyryl-ACP",C16H29N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11495,,,NaN,,,,"",
2mcacn,"(Z)-But-2-Ene-1,2,3-Tricarboxylate",C7H5O6,-3,0,0,,3080625,NaN,,"",,,,NaN,"",2mcacn,"",,cpd02597,MNXM1792,,NaN,,,NUZLRKBHOBPTQV-ARJAWSKDSA-K,"InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3/b4-3-",[H]C([H])([H])C(\C([O-])=O)=C(\C([O-])=O)C([H])([H])C([O-])=O
2mcit,"2-Methylcitric acid",C7H7O7,-3,206.1501,206.0426527,,515,30835,HMDB0000379,"",2mcit,2mcit,FDB021997,500,"",2mcit,"",,cpd01501,MNXM90279,,5368,6061-96-7,,YNOXCRMFGMSKIJ-UHFFFAOYSA-K,"InChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3",[H]OC(C([O-])=O)(C([H])([H])C([O-])=O)C([H])(C([O-])=O)C([H])([H])[H]
2me4p,"2-C-methyl-D-erythritol 4-phosphate",C5H11O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",2me4p,"",,cpd08286,MNXM1626,,NaN,,,,"",
2mecdp,"2-C-methyl-D-erythritol 2,4-cyclodiphosphate",C5H10O9P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",2mecdp,"",,cpd08301,MNXM1168,,NaN,,,,"",
2mmal,"(R)-2-Methylmalate",C5H6O5,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
2mmale,"2-Methylmaleate",C5H4O4,-2,0,0,,NaN,NaN,HMDB0000634,"",,,,NaN,"",,"",,,,,NaN,,,,"",
2mnptl,"2-Methylnaphthalene",C11H10,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd09801,,,NaN,,,,"",
2mop,"2-Methyl-3-oxopropanoic acid",C4H5O3,-1,102.0886,102.0316941,C00349,296,16256,HMDB0001172,"",2mop,2mop,FDB022464,290,"CH3-MALONATE-S-ALD",2mop,"2-Methyl-3-oxopropanoic_acid",,cpd00287,MNXM305,,6053,,,VOKUMXABRRXHAR-UHFFFAOYSA-M,"InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/p-1",[H]C(=O)C([H])(C([O-])=O)C([H])([H])[H]
2mp2coa,"Methacrylyl-CoA",C25H36N7O17P3S,-4,835.608,835.1414231,C03460,440021,27754,HMDB0001011,"",2mp2coa,2mp2coa,FDB022369,389035,"METHACRYLYL-COA",2mp2coa,"",,cpd02187,MNXM947,,5941,6008-91-9,,NPALUEYCDZWBOV-NDZSKPAWSA-J,"InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,17-,18-,19+,23-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(=C([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
2mpdhl,"S-(2-Methylpropionyl)-dihydrolipoamide-E",C12H23NO2S2,0,277.447,277.1170204,C04424,11953835,17577,HMDB0006868,"",2mpdhl,2mpdhl,FDB024124,10128135,"",2mpdhl,"",,cpd02700,MNXM7749,,NaN,,,UEFURMXXHJCLJP-UHFFFAOYSA-N,"InChI=1S/C12H23NO2S2/c1-9(2)12(15)17-8-7-10(16)5-3-4-6-11(13)14/h9-10,16H,3-8H2,1-2H3,(H2,13,14)",[H]SC([H])(C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[H]
2mpropACP,"2-methylpropionyl-ACP,isobutyryl-ACP",C15H27N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11545,,,NaN,,,,"",
2obut,"2-Ketobutyric acid",C4H5O3,-1,102.0886,102.0316941,C00109,58,30831,HMDB0000005,"",2obut,2obut,FDB003359,57,"2-OXOBUTANOATE",2obut,"Alpha-ketobutyric_acid",DB04553,cpd00094,MNXM159,C00019675,NaN,600-18-0,DTXSID9060524,TYEYBOSBBBHJIV-UHFFFAOYSA-M,"InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)/p-1",[H]C([H])([H])C([H])([H])C(=O)C([O-])=O
2octdectecoa,"2,6,9,12-Octadecatetraenoyl Coenzyme A",C39H58N7O17P3S,-4,0,0,,NaN,NaN,,"",2octdectecoa,2octdectecoa,,NaN,"",,"",,,,,NaN,,,ARCCYNRJAHXWRR-BLHYBTKNSA-J,"InChI=1S/C39H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,14-15,18-19,26-28,32-34,38,49-50H,4-7,10,13,16-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b9-8-,12-11-,15-14-,19-18?/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
2octpencoa,"2,6,9,12,15-Octadecapentenoyl Coenzyme A",C39H56N7O17P3S,-4,0,0,,NaN,NaN,,"",,2octpencoa,,NaN,"",,"",,,,,NaN,,,PDRIJPFVKOBYQM-OXYAKQEASA-J,"InChI=1S/C39H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,14-15,18-19,26-28,32-34,38,49-50H,4,7,10,13,16-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b6-5+,9-8+,12-11+,15-14+,19-18+/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
2odec11eg3p,"2-octadec-11-enoyl-sn-glycerol 3-phosphate",C21H40O7P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2odec11eg3p,"",,cpd15357,MNXM5480,,NaN,,,,"",
2odecg3p,"2-octadecanoyl-sn-glycerol 3-phosphate",C21H42O7P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2odecg3p,"",,cpd15358,MNXM5481,,NaN,,,,"",
2ohed,"2-Oxohept-3-ene-1,7-dioate",C7H6O5,-2,0,0,C03063,5963,1254,,"",,,,NaN,"",2ohed,"",,cpd01960,MNXM90958,,63518,,,,"InChI=1S/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,9,10)(H,11,12)/b3-1-",
2ohph,"2-Octaprenyl-6-hydroxyphenol",C46H70O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",2ohph,"",,cpd03445,MNXM1635,,NaN,,,,"",
2ombz,"2-Octaprenyl-6-methoxy-1,4-benzoquinone",C47H70O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",2ombz,"",,cpd03447,MNXM1903,,NaN,,,,"",
2ombzl,"2-Octaprenyl-6-methoxy-1,4-benzoquinol",C47H72O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",2ombzl,"",,cpd15359,MNXM162799,,NaN,,,,"",
2omfuc,"2-o-methylfucose (rare sugar in rhamnogalacturonan II)",C7H14O5,0,0,0,,444792,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
2omhmbl,"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol",C48H74O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",2omhmbl,"",,cpd15360,MNXM2187,,NaN,,,,"",
2ommb,"2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone",C48H72O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",2ommb,"",,cpd03448,MNXM90440,,NaN,,,,"",
2ommbl,"2-Octaprenyl-3-methyl-6-methoxy- 1,4-benzoquinol",C48H74O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",2ommbl,"",,cpd15361,MNXM35383,,NaN,,,,"",
2omph,"2-Octaprenyl-6-methoxyphenol",C47H72O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",2omph,"",,cpd03446,MNXM1707,,NaN,,,,"",
2omxyl,"2-O-methylxylose (rare sugar in rhamnogalacturonan II)",C6H12O5,0,0,0,560157,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
2oph,"2-Octaprenylphenol",C46H70O,0,0,0,,NaN,NaN,,"",,,,NaN,"",2oph,"",,cpd03444,MNXM1886,,NaN,,,,"",
2oxoadp,"Oxoadipic acid",C6H6O5,-2,160.1247,160.0371734,C00322,71,15753,HMDB0000225,"",2oxoadp,2oxoadp,FDB003362,70,"2K-ADIPATE",2oxoadp,"Alpha-Ketoadipic_acid",,cpd00269,MNXM263,C00000770,5234,3184-35-8,DTXSID20185702,FGSBNBBHOZHUBO-UHFFFAOYSA-L,"InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)/p-2",[H]C([H])(C([O-])=O)C([H])([H])C([H])([H])C(=O)C([O-])=O
2p4c2me,"2-phospho-4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol",C14H22N3O17P3,-4,0,0,,NaN,NaN,,"",,,,NaN,"",2p4c2me,"",,cpd08288,MNXM1641,,NaN,,,,"",
2pentcoa,"2-pentenoyl-CoA",C26H38N7O17P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
2pg,"2-Phospho-D-glyceric acid",C3H4O7P,-3,186.0572,185.9929391,C00631,439278,17835,HMDB0003391,"",2pg,2pg,FDB001407,388411,"2-PG",2pg,"",,cpd00482,MNXM275,C00000123,6915,,,GXIURPTVHJPJLF-UWTATZPHSA-K,"InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/p-3/t2-/m1/s1",[H]OC([H])([H])[C@@]([H])(OP([O-])([O-])=O)C([O-])=O
2pglyc,"Phosphoglycolic acid",C2H2O6P,-3,156.0313,155.9823744,C00988,529,17150,HMDB0000816,"",2pglyc,,FDB022263,514,"CPD-67",2pglyc,"",,cpd00727,MNXM2074,,5780,13147-57-4,DTXSID60157064,ASCFNMCAHFUBCO-UHFFFAOYSA-K,"InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)/p-3",[H]C([H])(OP([O-])([O-])=O)C([O-])=O
2s5epchc,"2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate",C14H13O9,-3,0,0,C16519,NaN,NaN,,"",,,,NaN,"",,"",,cpd16335,,,NaN,,,,"",
2shchc,"2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate",C11H10O6,-2,0,0,,NaN,NaN,,"",,,,NaN,"",2shchc,"",,cpd03451,MNXM162721,,NaN,,,,"",
2tdec7eg3p,"2-tetradec-7-enoyl-sn-glycerol 3-phosphate",C17H32O7P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2tdec7eg3p,"",,cpd15362,MNXM5490,,NaN,,,,"",
2tdecg3p,"2-tetradecanoyl-sn-glycerol 3-phosphate",C17H34O7P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",2tdecg3p,"",,cpd15363,MNXM5491,,NaN,,,,"",
31dmt,"31-DMT or M-II, 31-O-Desmethyl Tacrolimus",C43H67NO12,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
33hmeoxobut,"2-Oxo-3-hydroxyisovalerate",C5H7O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd02569,,,NaN,,,,"",
34dhb,"Protocatechuate",C7H5O4,-1,0,0,,NaN,NaN,HMDB0001856,"",,,,NaN,"",,"",,cpd00197,,,NaN,,,,"",
34dhcinm,"3,4-Dihydroxy-trans-cinnamate",C9H7O4,-1,180.1574,180.0422587,C01197,689043,16433,HMDB0003501,"",,,FDB002559,600426,"CPD-676",34dhcinm,"Caffeic_acid",DB01880,,MNXM890,C00000615,NaN,501-16-6,,QAIPRVGONGVQAS-DUXPYHPUSA-M,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/p-1/b4-2+",[H]OC1=C(O[H])C([H])=C(\C([H])=C(/[H])C([O-])=O)C([H])=C1[H]
34dhmald,"3,4-Dihydroxymandelaldehyde",C8H8O4,0,168.1467,168.0422587,C05577,151725,27852,HMDB0006242,"",34dhmald,34dhmald,FDB023855,133725,"",34dhmald,"",,cpd03307,MNXM1633,,NaN,13023-73-9,,YUGMCLJIWGEKCK-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H",[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C([H])(O[H])C([H])=O
34dhoxmand,"3,4-Dihydroxymandelic acid",C8H7O5,-1,184.1461,184.0371734,C05580,85782,27637,HMDB0001866,"",34dhoxmand,34dhoxmand,FDB022719,77371,"",34dhoxmand,"",,,MNXM90911,,696,775-01-9,,RGHMISIYKIHAJW-UHFFFAOYSA-M,"InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)/p-1",[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C([H])(O[H])C([O-])=O
34dhoxpeg,"3,4-Dihydroxyphenylglycol",C8H10O4,0,170.1626,170.0579088,C05576,91528,1387,HMDB0000318,"",34dhoxpeg,34dhoxpeg,FDB020084,82648,"",34dhoxpeg,"DHPG",,cpd03306,MNXM2931,,5307,28822-73-3,,MTVWFVDWRVYDOR-UHFFFAOYSA-N,"InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2",[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C([H])(O[H])C([H])([H])O[H]
34dhpac,"3,4-Dihydroxyphenylacetaldehyde",C8H8O3,0,152.1473,152.0473441,C04043,119219,27978,HMDB0003791,"",34dhpac,34dhpac,FDB023227,106504,"",34dhpac,"DOPAL",,cpd02500,MNXM1401,,NaN,5707-55-1,DTXSID10205680,IADQVXRMSNIUEL-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2",[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C([H])([H])C([H])=O
34dhpe,"Hydroxytyrosol",C8H10O3,0,154.1632,154.0629942,,82755,68889,HMDB0005784,"",,34dhpe,FDB008754,74680,"CPD-15887",,"Hydroxytyrosol",,,,C00032635,NaN,10597-60-1,DTXSID70147451,JUUBCHWRXWPFFH-UHFFFAOYSA-N,"InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2",[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])O[H]
34dhpha,"3,4-Dihydroxybenzeneacetic acid",C8H7O4,-1,168.1467,168.0422587,C01161,547,41941,HMDB0001336,"DOPAC",34dhpha,34dhpha,FDB000316,532,"CPD-782",34dhpha,"DOPAC",DB01702,cpd00854,MNXM645,C00040996,6170,102-32-9,DTXSID9074430,CFFZDZCDUFSOFZ-UHFFFAOYSA-M,"InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/p-1",[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C([H])([H])C([O-])=O
34dhphe,"L-Dopa",C9H11NO4,0,197.1879,197.0688078,C00355,6047,15765,HMDB0000181,"L-dopa",34dhphe,34dhphe,FDB000567,5824,"L-DOPA",34dhphe,"L-Dopa",DB01235,cpd00291,MNXM162631,C00001357,42,59-92-7,DTXSID9023209,WTDRDQBEARUVNC-LURJTMIESA-N,"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
34hpl,"Hydroxyphenyllactic acid",C9H9O4,-1,182.1733,182.0579088,C03672,9378,17385,HMDB0000755,"",34hpl,34hpl,FDB019021,9010,"4-HYDROXYPHENYLLACTATE",34hpl,"",,cpd02305,MNXM114141,C00050491,5723,306-23-0,,JVGVDSSUAVXRDY-UHFFFAOYSA-M,"InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/p-1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])(O[H])C([O-])=O
34hpp,"4-Hydroxyphenylpyruvic acid",C9H7O4,-1,180.1574,180.0422587,C01179,979,15999,HMDB0000707,"",34hpp,34hpp,FDB022193,954,"P-HYDROXY-PHENYLPYRUVATE",34hpp,"Hydroxyphenylpyruvic acid",DB07718,cpd00868,MNXM153,,5675,156-39-8,DTXSID80166017,KKADPXVIOXHVKN-UHFFFAOYSA-M,"InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)/p-1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C(=O)C([O-])=O
35cgmp,"Cyclic GMP",C10H11N5O7P,-1,345.2053,345.0474343,C00942,24316,16356,HMDB0001314,"",35cgmp,35cgmp,FDB022549,22734,"CGMP",35cgmp,"Cyclic GMP",,cpd00697,MNXM665,C00019673,6152,7665-99-8,DTXSID8040646,ZOOGRGPOEVQQDX-UUOKFMHZSA-M,"InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/p-1/t3-,5-,6-,9-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]2([H])C([H])([H])OP([O-])(=O)O[C@@]12[H])N1C([H])=NC2=C1N=C(N([H])[H])N([H])C2=O
35dacap,"(3S,5S)-3,5-Diaminocaproate",C6H15N2O2,1,0,0,,NaN,NaN,HMDB0012115,"",,,,NaN,"",,"",,cpd00874,,,NaN,,,,"",
35dhpvs,"3'-Alpha-5'-Beta-Dihydroxy-Pravastatin / 3'-Alpha-5'-Beta-6'-Beta-Trihydroxy Pravastatin",C23H34NaO9,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
35diotyr,"3,5-Diiodo-L-tyrosine",C9H9I2NO3,0,432.9816,432.86718,C01060,9305,15768,HMDB0003474,"",35diotyr,35diotyr,FDB023181,8946,"DIIODO-L-TYROSINE",35diotyr,"",,,MNXM163675,,6940,300-39-0,DTXSID0048680,NYPYHUZRZVSYKL-ZETCQYMHSA-N,"InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1",[H]OC1=C(I)C([H])=C(C([H])=C1I)C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
35dsmv,"3',5'-Dihydrodiol-Simvastatin (Lactone Form)",C25H40O7,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
36dahx,"(3S)-3,6-Diaminohexanoate",C6H15N2O2,1,146.1876,146.1055277,C01142,439417,15613,HMDB0012114,"",,,FDB028778,388530,"CPD-9366",36dahx,"",,cpd00840,MNXM1865,,NaN,4299-56-3,,QKEWQOJCHPFEAF-YFKPBYRVSA-N,"",
3a2opp,"3-Amino-2-oxopropyl phosphate",C3H7NO5P,-1,0,0,,NaN,1449,,"",,,,NaN,"",,"",,cpd08449,,,NaN,,,,"InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)",
3abutcoa,"L-3-Aminobutyryl-CoA",C25H39N8O17P3S,-4,852.639,852.1679722,C05231,440564,15512,HMDB0012248,"",,,FDB028890,389464,"CPD-672",,"",,cpd03104,,,NaN,,,CCSDHAPTHIKZLY-LRJFFYKASA-N,"",
3aib,"(S)-b-aminoisobutyric acid",C4H9NO2,0,103.1198,103.0633285,C03284,439434,33094,HMDB0002166,"",3aib,3aib,FDB022878,388543,"",3aib,"",,cpd03063,MNXM786,,6520,4249-19-8,,QCHPKSFMDHPSNR-VKHMYHEASA-N,"InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",[H]C([H])([H])[C@]([H])(C([O-])=O)C([H])([H])[N+]([H])([H])[H]
3aib_D,"(R)-b-aminoisobutyric acid",C4H9NO2,0,103.1198,103.0633285,C01205,5459822,16320,HMDB0002299,"",3aib_D,3aib_D,FDB022955,4573585,"",3aib__D,"",,,MNXM162802,,6599,2140-95-6,DTXSID70420079,QCHPKSFMDHPSNR-GSVOUGTGSA-N,"InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",[H]C([H])([H])[C@@]([H])(C([O-])=O)C([H])([H])[N+]([H])([H])[H]
3amp,"3-Adenosine Monophosphate",C10H12N5O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",3amp,"",,cpd00988,MNXM1985,,NaN,,,LNQVTSROQXJCDD-KQYNXXCUSA-L,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3bcrn,"3-Hydroxy Butyryl Carnitine",C11H21NO5,0,0,0,,90659885,84842,HMDB0062735,"",3bcrn,3bcrn,,NaN,"",3bcrn,"",,,MNXM163668,,NaN,,,UEFRDQSMQXDWTO-UHFFFAOYSA-N,"InChI=1S/C11H21NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h8-9,13H,5-7H2,1-4H3",[H]OC([H])(C([H])([H])[H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
3btcoa,"3-Butenoyl-CoA",C25H36N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd01557,,,NaN,,,,"",
3c2hmp,"3-Carboxy-2-hydroxy-4-methylpentanoate",C7H10O5,-2,0,0,,NaN,NaN,HMDB0012156,"",,,,NaN,"",3c2hmp,"",,cpd02693,MNXM891,,NaN,,,,"",
3c3hmp,"3-Carboxy-3-hydroxy-4-methylpentanoate",C7H10O5,-2,0,0,,NaN,NaN,HMDB0000402,"",,,,NaN,"",3c3hmp,"",,cpd01646,MNXM985,,NaN,,,,"",
3c4mop,"3-Carboxy-4-methyl-2-oxopentanoate",C7H8O5,-2,0,0,,NaN,NaN,HMDB0012149,"",,,,NaN,"",3c4mop,"",,cpd02605,MNXM1602,,NaN,,,,"",
3cmp,"3-cmp",C9H12N3O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",3cmp,"",,cpd03454,MNXM2182,,NaN,,,,"",
3cmuc,"3-Carboxy-cis,cis-muconate",C7H3O6,-3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd00856,,,NaN,,,,"",
3cvobz,"3-[(1-Carboxyvinyl)oxy]benzoate",C10H6O5,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3ddcrn,"3-Hydroxydodecanoylcarnitine",C19H37NO5,0,0,0,,NaN,NaN,,"",3ddcrn,3ddcrn,,NaN,"",3ddcrn,"",,,MNXM150910,,NaN,,,ULWDPUHFMOBGFJ-UHFFFAOYSA-N,"InChI=1S/C19H37NO5/c1-5-6-7-8-9-10-11-12-16(21)13-19(24)25-17(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3",[H]OC([H])(C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
3ddecdicoa,"3,6-Dodecadienoyl Coenzyme A",C33H50N7O17P3S,-4,0,0,,5280771,NaN,,"",3ddecdicoa,3ddecdicoa,,NaN,"",,"",,,,,NaN,,,KEPSPLQXVPROMK-ASJCJLDXSA-J,"InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,11-12,20-22,26-28,32,43-44H,4-7,10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b9-8-,12-11-/t22-,26-,27-,28+,32-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3ddlhept,"3-deoxy-d-lyxo-heptulosaric acid (rare sugar in rhamnogalacturonan II)",C7H9O8,-1,0,0,,3082831,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3deccrn,"3-Hydroxydecanoylcarnitine",C17H33NO5,0,0,0,,NaN,NaN,,"",3deccrn,3deccrn,,NaN,"",3deccrn,"",,,MNXM150909,,NaN,,,XZARHVHXYGIXLB-UHFFFAOYSA-N,"InChI=1S/C17H33NO5/c1-5-6-7-8-9-10-14(19)13-17(22)23-15(18(2,3)4)11-12-16(20)21/h14-15,19H,5-13H2,1-4H3",[H]OC([H])(C([H])([H])C(=O)OC([H])(C([H])([H])C([H])([H])C([O-])=O)[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
3decdicoa,"3,7-Decadienoyl Coenzyme A",C31H46N7O17P3S,-4,0,0,,NaN,NaN,,"",3decdicoa,3decdicoa,,NaN,"",,"",,,,,NaN,,,PCKVSONOTLJORL-RSEHLHAXSA-J,"InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h5-6,9-10,18-20,24-26,30,41-42H,4,7-8,11-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b6-5-,10-9-/t20-,24-,25-,26+,30-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3dh46dchol,"3-Dehydro-Delta-4,6-Deoxycholate",C24H33O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dh46lchol,"3-Dehydro-Delta-4,6-Lithocholate",C24H33O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dh4cacoa,"3-Dehydro-Delta-4,6-Lithocholate",C45H66N7O20P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dh4cdcacoa,"3-Dehydro-Delta-4-Chenodeoxycholoyl-CoA",C45H66N7O19P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dh4cdchol,"3-Dehydro-Delta-4-Chenodeoxycholate",C24H35O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dh4chol,"3-Dehydro-Delta-4-Choloate",C24H35O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dh4dchol,"3-Dehydro-Delta-4-Deoxycholate",C24H35O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dh4lchol,"3-Dehydro-Delta-4-Lithocholate",C24H35O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dh4udcacoa,"3-Dehydro-Delta-4-Ursodeoxycholoyl-CoA",C45H66N7O19P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dh4udchol,"3-Dehydro-Delta-4-Ursodeoxycholate",C24H35O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dhadchol,"3-Dehydro-Deoxycholate",C24H37O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dhalchol,"3-Dehydro-Lithocholate",C24H37O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dhcacoa,"3-Dehydro-Choloyl-CoA",C45H68N7O20P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dhcdcacoa,"3-Dehydro-Chenodeoxycholoyl-CoA",C45H68N7O19P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3dhcdchol,"3-Dehydrochenodeoxychollyc acid; 7oxo-3alpha-hydroxy-5beta-cholan-24-oic acid",C24H37O4,-1,0,0,,NaN,NaN,,"",,3dhcdchol,,NaN,"",,"",,,,,NaN,,,,"",
3dhchol,"3-Dehydrocholic acid; 3oxo-7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid",C24H37O5,-1,0,0,,NaN,NaN,HMDB0062680,"",,3dhchol,,NaN,"",,"",,,,,NaN,,,,"",
3dhdchol,"3-dehydro-Deoxycholate",C24H37O4,-1,0,0,,NaN,NaN,,"",,3dhdchol,,NaN,"",,"",,,,,NaN,,,,"",
3dhguln,"3-Dehydro-L-gulonate",C6H9O7,-1,194.1394,194.0426527,C00618,439273,16142,HMDB0006334,"",3dhguln,3dhguln,FDB023894,388406,"",3dhguln,"",,cpd00473,MNXM736,,NaN,,,WTAHRPBPWHCMHW-LWKDLAHASA-M,"InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,5,7-9,11H,1H2,(H,12,13)/p-1/t2-,3+,5-/m0/s1",[H]OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])C(=O)[C@]([H])(O[H])C([O-])=O
3dhgulnp,"3-keto-L-gulonate-6-phosphate",C6H8O10P,-3,0,0,,NaN,NaN,,"",,,,NaN,"",3dhgulnp,"",,cpd10596,MNXM1170,,NaN,,,,"",
3dhlchol,"3-dehydro-Lithocholate",C24H37O3,-1,0,0,,NaN,NaN,,"",,3dhlchol,,NaN,"",,"",,,,,NaN,,,,"",
3dhq,"3-Dehydroquinate",C7H9O6,-1,0,0,,NaN,NaN,HMDB0012710,"",,,,NaN,"",3dhq,"",,cpd00699,MNXM478,,NaN,,,,"",
3dhsk,"3-Dehydroshikimate",C7H7O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3dhsk,"",,cpd01716,MNXM611,,NaN,,,,"",
3dhudcacoa,"3-Dehydro-Ursodeoxycholoyl-CoA",C45H68N7O19P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3docopencoa,"3,7,10,13,16-Docosapentenoyl Coenzyme A",C43H64N7O17P3S,-4,0,0,,NaN,NaN,,"",3docopencoa,3docopencoa,,NaN,"",,"",,,,,NaN,,,UFAUHGAQSSJIOU-DAUPRVDASA-J,"InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,21-22,30-32,36-38,42,53-54H,4-7,10,13,16,19-20,23-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b9-8-,12-11?,15-14-,18-17-,22-21-/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3dodtricoa,"3,6,9-Dodecatrienoyl Coenzyme A",C33H48N7O17P3S,-4,0,0,,NaN,NaN,,"",3dodtricoa,3dodtricoa,,NaN,"",,"",,,,,NaN,,,YCCKLKCLFHVHRH-HJGRVULYSA-J,"InChI=1S/C33H52N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h5-6,8-9,11-12,20-22,26-28,32,43-44H,4,7,10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b6-5-,9-8-,12-11-/t22-,26-,27-,28+,32-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3dpdhb,"3,4-dihydroxy-5-all-trans-decaprenylbenzoate",C57H85O4,-1,834.304,833.6453348,,54738022,62793,HMDB0062204,"",3dpdhb,3dpdhb,FDB030378,NaN,"",3dpdhb,"",,,MNXM91405,,NaN,,,HGWUGDIATLOPBN-BHZQGFRMSA-M,"InChI=1S/C57H86O4/c1-43(2)21-12-22-44(3)23-13-24-45(4)25-14-26-46(5)27-15-28-47(6)29-16-30-48(7)31-17-32-49(8)33-18-34-50(9)35-19-36-51(10)37-20-38-52(11)39-40-53-41-54(57(60)61)42-55(58)56(53)59/h21,23,25,27,29,31,33,35,37,39,41-42,58-59H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,60,61)/p-1/b44-23+,45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+",[H]OC1=C(O[H])C(=C([H])C(=C1[H])C([O-])=O)C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
3dpdhb_me,"3-methoxy-4-hydroxy-5-all-trans-decaprenylbenzoate",C58H87O4,-1,848.331,847.6609849,,54738023,62796,HMDB0062355,"",3dpdhb_me,3dpdhb_me,FDB030435,NaN,"",3dpdhb_me,"",,,MNXM91944,,NaN,,,WCQCNOIKXGNDLX-RDSVHMIISA-M,"InChI=1S/C58H88O4/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58(60)61)43-56(62-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43,59H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3,(H,60,61)/p-1/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+",[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([O-])=O
3dphb,"3-Decaprenyl-4-Hydroxybenzoate",C57H85O3,-1,0,0,,NaN,NaN,,"",3dphb,3dphb,,NaN,"",3dphb,"",,,MNXM91406,,NaN,,,CMPNJZREBHCPHN-LTNIBBDRSA-M,"InChI=1S/C57H86O3/c1-44(2)21-12-22-45(3)23-13-24-46(4)25-14-26-47(5)27-15-28-48(6)29-16-30-49(7)31-17-32-50(8)33-18-34-51(9)35-19-36-52(10)37-20-38-53(11)39-40-54-43-55(57(59)60)41-42-56(54)58/h21,23,25,27,29,31,33,35,37,39,41-43,58H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,59,60)/p-1/b45-23+,46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+",[H]OC1=C([H])C([H])=C(C([H])=C1C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([O-])=O
3dsphgn,"3-Dehydrosphinganine",C18H38NO2,1,299.4919,299.2824294,C02934,439853,17862,HMDB0001480,"",3dsphgn,3dsphgn,FDB022645,388895,"DEHYDROSPHINGANINE",3dsphgn,"",,,MNXM559,,3428,16105-69-4,,KBUNOSOGGAARKZ-KRWDZBQOSA-O,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3/p+1/t17-/m0/s1",[H]OC([H])([H])[C@@]([H])(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[N+]([H])([H])[H]
3gmp,"3-GMP",C10H12N5O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",3gmp,"",,cpd03701,MNXM2183,,NaN,,,,"",
3h26dm5coa,"3-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA",C31H48N7O18P3S,-4,935.767,935.2302381,C11947,9543313,NaN,HMDB0004601,"",,,FDB023380,7822286,"",3h26dm5coa,"",,,MNXM6801,,NaN,,,LQMGDAUBYDSVAK-VEQIRKQXSA-J,"InChI=1S/C31H52N7O18P3S/c1-16(2)17(3)11-19(39)18(4)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(5,6)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-16,18-20,23-25,29,39,41-42H,3,7-13H2,1-2,4-6H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t18?,19?,20-,23-,24-,25+,29-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])(O[H])C([H])([H])C(=C([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3h3mglt,"3-Methyl-3-hydroxypentanedioate",C6H8O5,-2,160.1247,160.0371734,,5459993,17325,HMDB0059737,"",,3h3mglt,,4573695,"CPD-547",,"",,,,,NaN,,,NPOAOTPXWNWTSH-UHFFFAOYSA-L,"InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/p-2",[H]OC(C([H])([H])[H])(C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
3h3mop,"(R)-3-Hydroxy-3-methyl-2-oxopentanoate",C6H9O4,-1,0,0,C14463,17395463,28710,,"",,,,10128321,"",,"",,cpd10162,,,NaN,,,,"",
3haACP,"(3R)-3-Hydroxyacyl-[acyl-carrier protein]",C15H27N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3haACP,"",,,MNXM5861,,NaN,,,,"",
3hadicoa,"3-Hydroxy-Adipoyl Coenzyme A",C27H39N7O20P3S,-5,0,0,,NaN,NaN,,"",,3hadicoa,,NaN,"",,"",,,,,NaN,,,BWCSDUMXQOYONM-UHFFFAOYSA-I,"InChI=1S/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-20(40)21(53-55(43,44)45)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-15,20-22,26,35,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(OP([O-])([O-])=O)C1([H])O[H]
3hadpac,"3-Hydroxy-Adipate",C6H8O5,-2,0,0,,NaN,NaN,,"",,3hadpac,,NaN,"",,"",,,,,NaN,,,YVOMYDHIQVMMTA-UHFFFAOYSA-L,"InChI=1S/C6H10O5/c7-4(3-6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/p-2",[H]OC([H])(C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O
3hadpcoa,"(3S)-3-Hydroxyadipyl-CoA",C27H39N7O20P3S,-5,911.659,911.1574671,C14145,53481427,NaN,HMDB0012475,"",,,FDB029085,NaN,"",3hadpcoa,"",,cpd09844,MNXM2784,,NaN,,,OTEACGAEDCIMBS-IDOHWZMPSA-N,"",
3hanthrn,"3-Hydroxyanthranilic acid",C7H7NO3,0,153.1354,153.0425931,C00632,86,15793,HMDB0001476,"",3hanthrn,3hanthrn,FDB010582,84,"3-HYDROXY-ANTHRANILATE",3hanthrn,"3-hydroxyanthranilic_acid",DB03644,cpd00483,MNXM359,C00007568,3275,548-93-6,DTXSID40203290,WJXSWCUQABXPFS-UHFFFAOYSA-N,"InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)",[H]OC1=C([H])C([H])=C([H])C(C([O-])=O)=C1[N+]([H])([H])[H]
3hbbut,"(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate",C8H13O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd02767,,,NaN,,,,"",
3hbcoa,"(S)-3-Hydroxybutyryl-CoA",C25H38N7O18P3S,-4,853.62,853.1519897,C01144,439419,NaN,HMDB0062259,"(S)-3-hydroxybutanoyl-CoA",3hbcoa,3hbcoa,,NaN,"",3hbcoa,"",,cpd00842,MNXM446,,NaN,,,QHHKKMYHDBRONY-VKBDFPRVSA-J,"InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t13-,14+,18+,19+,20-,24+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3hbcoa_R,"3-Hydroxybutyryl-CoA",C25H38N7O18P3S,-4,853.623,853.1519878,C03561,440045,15452,HMDB0001166,"",3hbcoa_R,3hbcoa_R,FDB022460,389056,"CPD-650",3hbcoa__R,"beta-hydroxybutyryl-CoA",,cpd02234,MNXM162788,,456,2871-66-1,,QHHKKMYHDBRONY-WZZMXTMRSA-J,"InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t13-,14-,18-,19-,20+,24-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3hcddec5eACP,"(R)-3-hydroxy-cis-dodec-5-enoyl-[acyl-carrier protein]",C23H41N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3hcddec5eACP,"",,,MNXM5389,,NaN,,,,"",
3hcinnm,"Trans-3-coumarate",C9H7O3,-1,163.153,163.0400677,,54694258,47928,HMDB0062774,"",,,,NaN,"",3hcinnm,"",,cpd09252,MNXM1799,,NaN,,,KKSDGJDHHZEWEP-SNAWJCMRSA-M,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/p-1/b5-4+",[H]OC1=C([H])C([H])=C([H])C(\C([H])=C(/[H])C([O-])=O)=C1[H]
3hcmrs7eACP,"(R)-3-hydroxy-cis-myristol-7-eoyl-[acyl-carrier protein]",C25H45N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3hcmrs7eACP,"",,,MNXM5390,,NaN,,,,"",
3hcpalm9eACP,"(R)-3-hydroxy-cis-palm-9-eoyl-[acyl-carrier protein]",C27H49N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3hcpalm9eACP,"",,,MNXM6556,,NaN,,,,"",
3hcvac11eACP,"(R)-3-hydroxy-cis-vacc-11-enoyl-[acyl-carrier protein]",C29H53N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3hcvac11eACP,"",,,MNXM6557,,NaN,,,,"",
3hdcoa,"(S)-Hydroxydecanoyl-CoA",C31H50N7O18P3S,-4,937.783,937.2458882,C05264,16061159,28325,HMDB0003938,"(S)-3-hydroxydecanoyl-CoA",3hdcoa,3hdcoa,FDB023257,17220838,"",3hdcoa,"",,cpd03118,MNXM674,,NaN,6245-70-1,DTXSID30581615,HIVSMYZAMUNFKZ-PNPVFPMQSA-J,"InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t19-,20+,24+,25+,26-,30+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3hddcoa,"(S)-3-Hydroxydodecanoyl-CoA",C33H54N7O18P3S,-4,965.836,965.2771883,C05262,440603,27668,HMDB0003936,"(S)-3-hydroxylauroyl-CoA",3hddcoa,3hddcoa,FDB023255,389501,"",3hddcoa,"",,cpd03116,MNXM733,,NaN,72059-49-5,DTXSID00724158,IJFLXRCJWPKGKJ-LXIXEQKWSA-J,"InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t21-,22+,26+,27+,28-,32+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3hddecACP,"(R)-3-Hydroxydodecanoyl-[acyl-carrier protein]",C23H43N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3hddecACP,"",,,MNXM27066,,NaN,,,,"",
3hdecACP,"(R)-3-Hydroxydecanoyl-[acyl-carrier protein]",C21H39N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3hdecACP,"",,,MNXM7127,,NaN,,,,"",
3hdeccoa,"3-Hydroxyhexadecenoyl Coenzyme A",C37H60N7O18P3S,-4,0,0,,NaN,NaN,,"",3hdeccoa,3hdeccoa,,NaN,"",,"",,,,,NaN,,,,"",
3hdececrn,"3-Hydroxyhexadecenoylcarnitine",C23H43NO5,0,0,0,,NaN,NaN,,"",3hdececrn,3hdececrn,,NaN,"",,"",,,,,NaN,,,WAGYLURELCUJPG-SPIWFDJVSA-N,"InChI=1S/C23H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h10-11,20-21,25H,5-9,12-19H2,1-4H3/b11-10+/t20?,21-/m0/s1",[H]OC([H])(C([H])([H])C(=O)O[C@@]([H])(C([H])([H])C([H])([H])C([O-])=O)[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
3hexdcoa,"3-Hydroxyhexadecanoyl Coenzyme A",C37H62N7O18P3S,-4,0,0,,440600,NaN,,"",3hexdcoa,3hexdcoa,,NaN,"",3hexdcoa,"",,,MNXM163183,,NaN,,,DEHLMTDDPWDRDR-BCIKBWLNSA-J,"InChI=1S/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t25-,26+,30+,31+,32-,36+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3hexdcrn,"3-Hydroxyhexadecanoylcarnitine",C23H45NO5,0,415.6071,415.3297736,,53481691,NaN,HMDB0013336,"",3hexdcrn,3hexdcrn,FDB021866,NaN,"",3hexdcrn,"",,,MNXM36524,,NaN,,,MHJOYNGEDDXLLU-LBAQZLPGSA-N,"InChI=1S/C23H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)19-23(28)29-21(24(2,3)4)17-18-22(26)27/h20-21,25H,5-19H2,1-4H3/t20?,21-/m0/s1",[H]OC([H])(C([H])([H])C(=O)O[C@@]([H])(C([H])([H])C([H])([H])C([O-])=O)[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
3hexdtetcoa,"3,7,10,13-Hexadecatetraenoyl Coenzyme A",C37H54N7O17P3S,-4,0,0,,NaN,NaN,,"",3hexdtetcoa,3hexdtetcoa,,NaN,"",,"",,,,,NaN,,,RDUFPHXVOIEKMV-YIKMFAKMSA-J,"InChI=1S/C37H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h5-6,8-9,11-12,15-16,24-26,30-32,36,47-48H,4,7,10,13-14,17-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b6-5?,9-8-,12-11-,16-15-/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3hexdtricoa,"3,7,10-Hexadecatrienoyl Coenzyme A",C37H56N7O17P3S,-4,0,0,,NaN,NaN,,"",3hexdtricoa,3hexdtricoa,,NaN,"",,"",,,,,NaN,,,ZNIIDPYHPPJCFQ-VPNBAAGLSA-J,"InChI=1S/C37H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h8-9,11-12,15-16,24-26,30-32,36,47-48H,4-7,10,13-14,17-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b9-8-,12-11?,16-15-/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3hgACPm,"3-Hydroxyglutaryl-ACP Methyl Ester",C17H29N2O11PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3hglutcoa,"3-Hydroxy-Glutaryl Coenzyme A",C26H37N7O20P3S,-5,0,0,,NaN,NaN,,"",,3hglutcoa,,NaN,"",,"",,,,,NaN,,,IIYZSYKTQRIPRG-UHFFFAOYSA-I,"InChI=1S/C26H42N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-14,19-21,25,34,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/p-5",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
3hhcoa,"(S)-3-Hydroxyhexanoyl-CoA",C27H42N7O18P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",3hhcoa,"",,cpd03122,MNXM757,,NaN,,,,"",
3hhdcoa,"(S)-3-Hydroxyhexadecanoyl-CoA",C37H62N7O18P3S,-4,0,0,,NaN,NaN,HMDB0003932,"",,,,NaN,"",3hhdcoa,"",,cpd03113,MNXM825,,NaN,,,,"",
3hhexACP,"(R)-3-Hydroxyhexanoyl-[acyl-carrier protein]",C17H31N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3hhexACP,"",,,MNXM25370,,NaN,,,,"",
3hibup_R,"3-Hydroxy R-Ibuprofen",C13H17O3,-1,0,0,,182443,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3hibup_S,"3-Hydroxy S-Ibuprofen",C13H17O3,-1,0,0,,182443,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3hibupglu_S,"3-hydroxy S-ibuprofen-glucuronide",C19H25O9,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3hibutcoa,"(S)-3-Hydroxyisobutyryl Coenzyme A",C25H38N7O18P3S,-4,0,0,C04047,NaN,15481,,"",3hibutcoa,3hibutcoa,,NaN,"",3hibutcoa,"",,cpd03572,MNXM446,,NaN,,,WWEOGFZEFHPUAM-UQCJFRAESA-J,"InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t13-,14+,17+,18+,19-,23+/m0/s1",[H]OC([H])([H])[C@@]([H])(C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O)C([H])([H])[H]
3hisovalcoa,"3-Hydroxyisovaleryl-CoA",C26H40N7O18P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3hivac,"3-Hydroxyisovaleric Acid",C5H9O3,-1,118.1320038,118.0629942,C20827,69362,37084,HMDB0000754,"",,3hivac,,62571,"",,"Beta-Hydroxy_beta-methylbutyric_acid",,,MNXM36533,,5722,625-08-1,DTXSID20211535,AXFYFNCPONWUHW-UHFFFAOYSA-M,"InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)/p-1",[H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([O-])=O
3hlvst,"3'-Hydroxy-Lovastatin (Lactone Form)",C24H36O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3hlvstacid,"3'-Hydroxy-Lovastatin (Acid Form)",C24H37O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3hmbcoa,"2-Methyl-3-hydroxybutyryl-CoA",C26H40N7O18P3S,-4,867.65,867.1676379,C04405,440326,15449,HMDB0001356,"",3hmbcoa,3hmbcoa,FDB022575,389295,"2-METHYL-3-HYDROXY-BUTYRYL-COA",3hmbcoa,"",,cpd02691,MNXM701,,6186,52227-66-4,,PEKYNTFSOBAABV-LQUDNSJZSA-J,"InChI=1S/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-15,18-20,24,34,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t13-,14-,15+,18+,19+,20-,24+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3hmp,"(S)-3-Hydroxyisobutyric acid",C4H7O3,-1,104.1045,104.0473441,C06001,440873,37373,HMDB0000023,"",3hmp,3hmp,FDB021877,389707,"3-HYDROXY-ISOBUTYRATE",3hmp,"",,cpd00876,MNXM396,,483,2068-83-9,,DBXBTMSZEOQQDU-VKHMYHEASA-M,"InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1/t3-/m0/s1",[H]OC([H])([H])[C@@]([H])(C([O-])=O)C([H])([H])[H]
3hmrsACP,"(R)-3-Hydroxytetradecanoyl-[acyl-carrier protein]",C25H47N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3hmrsACP,"",,cpd11484,MNXM7733,,NaN,,,,"",
3hocoa,"(S)-3-Hydroxyoctanoyl-CoA",C29H46N7O18P3S,-4,0,0,,NaN,NaN,HMDB0003940,"",,,,NaN,"",3hocoa,"",,cpd03120,MNXM766,,NaN,,,,"",
3hoctaACP,"(R)-3-Hydroxyoctadecanoyl-[acyl-carrier protein]",C29H55N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3hoctaACP,"",,,MNXM6417,,NaN,,,,"",
3hoctACP,"(R)-3-Hydroxyoctanoyl-[acyl-carrier protein]",C19H35N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3hoctACP,"",,,MNXM10019,,NaN,,,,"",
3hodcoa,"(S)-3-Hydroxyoctadecanoyl Coenzyme A",C39H66N7O18P3S,-4,0,0,,49859586,NaN,,"",3hodcoa,3hodcoa,,NaN,"",3hodcoa,"",,,MNXM31746,,NaN,,,WZMAIEGYXCOYSH-DHAMPVRESA-J,"InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/t27-,28+,32+,33+,34?,38+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3hpACPm,"3-hydroxypimeloyl-ACP methyl ester",C19H33N2O11PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3hpalmACP,"R-3-hydroxypalmitoyl-[acyl-carrier protein]",C27H51N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3hpalmACP,"",,,MNXM2576,,NaN,,,,"",
3hpcoa,"3-Hydroxypropionyl-CoA",C24H36N7O18P3S,-4,839.597,839.1363377,C05668,440753,27762,HMDB0006807,"",3hpcoa,3hpcoa,FDB024093,389623,"3-HYDROXY-PROPIONYL-COA",3hpcoa,"",,cpd03375,MNXM1263,,6497,157786-88-4,,BERBFZCUSMQABM-IEXPHMLFSA-J,"InChI=1S/C24H40N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,32,35-36H,3-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/p-4/t13-,17-,18-,19+,23-/m1/s1",[H]OC([H])([H])C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3hphac,"3-Hydroxyphenylacetic acid",C8H7O3,-1,152.1473,152.0473441,C05593,12122,17445,HMDB0000440,"",,,FDB022047,11624,"3-HYDROXYPHENYLACETATE",,"",,cpd03320,,,5429,621-37-4,DTXSID90211148,FVMDYYGIDFPZAX-UHFFFAOYSA-N,"",
3hpp,"Hydroxypropionic acid",C3H5O3,-1,90.0779,90.03169406,C01013,68152,33404,HMDB0000700,"",3hpp,3hpp,FDB022189,61460,"",3hpp,"Hydroxypropionic acid",DB03688,cpd00745,MNXM872,,5668,503-66-2,DTXSID50198305,ALRHLSYJTWAHJZ-UHFFFAOYSA-M,"InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)/p-1",[H]OC([H])([H])C([H])([H])C([O-])=O
3hppa,"3-Hydroxyphenylpropionic Acid (3-Hppa)",C9H9O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,QVWAEZJXDYOKEH-UHFFFAOYSA-M,"InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)/p-1",[H]OC1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([O-])=O
3hppnl,"3-Hydroxypropanal",C3H6O2,0,74.0785,74.03677944,C00969,75049,17871,HMDB0003453,"",,,FDB023176,67601,"HYDROXYPROPANAL",3hppnl,"",,cpd00714,MNXM1526,,6935,2134-29-4,DTXSID4062199,AKXKFZDCRYJKTF-UHFFFAOYSA-N,"InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2",
3hpppn,"3-(3-Hydroxy-Phenyl)Propionate",C9H9O3,-1,0,0,,NaN,NaN,,"",,3hpppn,,NaN,"",3hpppn,"",,cpd08304,MNXM1634,,NaN,,,QVWAEZJXDYOKEH-UHFFFAOYSA-M,"InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)/p-1",[H]OC1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([O-])=O
3hpppnoh,"3-(3-Hydroxy-Phenyl)Propionate Hydroxy Derivative",C9H9O4,-1,0,0,,NaN,NaN,,"",,3hpppnoh,,NaN,"",,"",,,,,NaN,,,,"",
3hpppnohgluc,"3-(3-Hydroxy-Phenyl)Propionate Hydroxy Derivative Glucuronide",C15H16O9,-2,0,0,,NaN,NaN,,"",,3hpppnohgluc,,NaN,"",,"",,,,,NaN,,,,"",
3hpvs,"3'-S-Hydroxy-Pravastatin",C23H35NaO8,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3hpvscoa,"3'-S-Hydroxy-Pravastatin-CoA",C44H67N7NaO24P3S,-3,0,0,,NaN,NaN,,"",,3hpvscoa,,NaN,"",,"",,,,,NaN,,,,"",
3hpvstet,"3'-S-Hydroxy-Pravastatin-Tetranor",C19H27NaO6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3hpvstetcoa,"3'-S-hydroxy-pravastatin-tetranor-CoA",C40H58N7NaO21P3S,-4,0,0,,NaN,NaN,,"",,3hpvstetcoa,,NaN,"",,"",,,,,NaN,,,,"",
3hsmv,"3'-Hydroxy-Simvastatin (Lactone Form)",C25H38O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3hsmvacid,"3'-Hydroxy-Simvastatin (Acid Form)",C25H39O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3htdcoa,"(S)-3-Hydroxytetradecanoyl-CoA",C35H58N7O18P3S,-4,993.889,993.3084884,C05260,440602,27466,HMDB0003934,"(S)-3-hydroxytetradecanoyl-CoA",3htdcoa,3htdcoa,FDB023253,389500,"",3htdcoa,"",,cpd03115,MNXM767,,NaN,,,OXBHKMHNDGRDCZ-STLSENOWSA-J,"InChI=1S/C35H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,43,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/t23-,24+,28+,29+,30-,34+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3htmelys,"3-Hydroxy-N6,N6,N6-trimethyl-L-lysine",C9H20N2O3,0,205.2746,205.1552175,C01259,439460,15786,HMDB0001422,"",3htmelys,3htmelys,FDB022613,388565,"3-HYDROXY-N6N6N6-TRIMETHYL-L-LYSINE",3htmelys,"",,,MNXM91413,,6234,,,ZRJHLGYVUCPZNH-MQWKRIRWSA-N,"InChI=1S/C9H20N2O3/c1-11(2,3)6-4-5-7(12)8(10)9(13)14/h7-8,12H,4-6,10H2,1-3H3/t7?,8-/m0/s1",[H]OC([H])(C([H])([H])C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(N([H])[H])C([O-])=O
3hxkynam,"3-Hydroxykynurenamine",C9H13N2O2,1,0,0,C05636,440736,NaN,,"",,,,NaN,"",3hxkynam,"",,,MNXM36534,,63548,,,ODOPEICAGBYCFH-UHFFFAOYSA-O,"InChI=1S/C9H12N2O2/c10-5-4-7(12)6-2-1-3-8(13)9(6)11/h1-3,13H,4-5,10-11H2/p+1",[H]OC1=C([H])C([H])=C([H])C(C(=O)C([H])([H])C([H])([H])[N+]([H])([H])[H])=C1N([H])[H]
3ig3p,"C-(3-Indolyl)-glycerol 3-phosphate",C11H12NO6P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",3ig3p,"",,cpd02210,MNXM866,,NaN,,,,"",
3ispvs,"3-Alpha-Iso-Pravastatin",C23H35NaO7,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3ityr_L,"Iodotyrosine",C9H10INO3,0,307.0851,306.9705366,C02515,439744,27847,HMDB0000021,"",3ityr_L,3ityr_L,FDB021875,388804,"IODO-L-TYROSINE",3ityr__L,"Monoiodotyrosine",DB01758,,MNXM163676,,NaN,70-78-0,DTXSID1075353,UQTZMGFTRHFAAM-ZETCQYMHSA-N,"InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1I)C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
3ivcoa,"3-Hydroxyisovaleryl Coenzyme A",C26H40N7O18P3S,-4,0,0,,11953876,NaN,,"",3ivcoa,3ivcoa,,NaN,"",,"",,,,,NaN,,,PEVZKILCBDEOBT-CITAKDKDSA-J,"InChI=1S/C26H44N7O18P3S/c1-25(2,20(37)23(38)29-6-5-15(34)28-7-8-55-16(35)9-26(3,4)39)11-48-54(45,46)51-53(43,44)47-10-14-19(50-52(40,41)42)18(36)24(49-14)33-13-32-17-21(27)30-12-31-22(17)33/h12-14,18-20,24,36-37,39H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t14-,18-,19-,20+,24-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3ivcrn,"3-Hydroxy-Isovaleryl Carnitine",C12H23NO5,0,0,0,,53915061,73027,HMDB0061189,"",3ivcrn,3ivcrn,,NaN,"",,"",,,,,NaN,,,IGLHHSKNBDXCEY-UHFFFAOYSA-N,"InChI=1S/C12H23NO5/c1-12(2,17)7-11(16)18-9(6-10(14)15)8-13(3,4)5/h9,17H,6-8H2,1-5H3",[H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
3m1hbtpp,"3-Methyl-1-hydroxybutyl-TPP",C17H26N4O8P2S,-2,0,0,,NaN,NaN,HMDB0006865,"",,,,NaN,"",,"",,cpd14698,,,NaN,,,,"",
3m4hpga,"3-Methoxy-4-hydroxyphenylglycolaldehyde",C9H10O4,0,182.1733,182.0579088,C05583,440729,NaN,HMDB0004061,"",3m4hpga,3m4hpga,FDB023294,389601,"",3m4hpga,"",,,MNXM162904,,NaN,17592-23-3,DTXSID50331518,VISAJVAPYPFKCL-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-5,8,11-12H,1H3",[H]OC1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C([H])(O[H])C([H])=O
3masp,"L-threo-3-Methylaspartate",C5H7NO4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3mb2coa,"3-Methylcrotonyl-CoA",C26H38N7O17P3S,-4,849.635,849.1570732,C03069,439869,15486,HMDB0001493,"",3mb2coa,3mb2coa,FDB022652,388909,"3-METHYL-CROTONYL-COA",3mb2coa,"",,cpd01966,MNXM389,,6277,793193-48-3,,BXIPALATIYNHJN-ZMHDXICWSA-J,"InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,19-,20-,21+,25-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])=C(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3mbutACP,"3-methylbutanoyl-ACP,isovaleryl-ACP",C16H29N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11520,,,NaN,,,,"",
3mcat,"3-Methylcatechol",C7H8O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",3mcat,"",,cpd01871,MNXM1064,,NaN,,,,"",
3meacmp,"3-Methoxy-Acetaminophen",C9H11NO3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3mgcoa,"3-Methylglutaconyl-CoA",C27H37N7O19P3S,-5,893.644,893.1469024,C03231,5462214,15488,HMDB0001057,"",3mgcoa,3mgcoa,FDB022396,11471767,"TRANS-3-METHYL-GLUTACONYL-COA",3mgcoa,"",,cpd02068,MNXM91417,,5971,6247-73-0,DTXSID30274297,GXKSHRDAHFLWPN-RKYLSHMCSA-I,"InChI=1S/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-21(52-54(42,43)44)20(39)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h9,12-13,15,20-22,26,39-40H,4-8,10-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-5/b14-9+/t15-,20-,21-,22+,26-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/C([H])([H])[H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3mglutac,"3-Methyl-Glutaconate",C6H6O4,-2,0,0,,NaN,NaN,,"",,3mglutac,,NaN,"",,"",,,,,NaN,,,WKRBKYFIJPGYQC-DUXPYHPUSA-L,"InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/p-2/b4-2+",[H]\C(C([O-])=O)=C(\C([H])([H])[H])C([H])([H])C([O-])=O
3mglutr,"3-Methyl-Glutarate",C6H8O4,-2,146.1419983,146.0579088,,NaN,NaN,,"",,3mglutr,,NaN,"",,"",,,,,NaN,626-51-7,DTXSID50211649,XJMMNTGIMDZPMU-UHFFFAOYSA-L,"InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/p-2",[H]C([H])([H])C([H])(C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
3mhis,"3-Methylhistidine",C7H11N3O2,0,169.1811,169.0851266,C01152,64969,27596,HMDB0000479,"",,3mhis,FDB021798,58494,"CPD-1823",,"3-methylhistidine",,,,C00050709,5466,368-16-1,,JDHILDINMRGULE-LURJTMIESA-N,"InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])N=C([H])N1C([H])([H])[H]
3mlda,"Methylimidazoleacetic acid",C6H7N2O2,-1,140.1399,140.0585775,C05828,75810,NaN,HMDB0002820,"",3mlda,3mlda,FDB023069,68319,"",3mlda,"",,,MNXM91418,,3774,2625-49-2,DTXSID30180884,ZHCKPJGJQOPTLB-UHFFFAOYSA-M,"InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)/p-1",[H]C1=NC(=C([H])N1C([H])([H])[H])C([H])([H])C([O-])=O
3mldz,"Methylimidazole acetaldehyde",C6H8N2O,0,124.1405,124.0636629,C05827,193545,28104,HMDB0004181,"",3mldz,3mldz,FDB023327,167957,"",3mldz,"",,,MNXM147791,,NaN,19639-03-3,DTXSID00173309,GCQHUBANENYTLB-UHFFFAOYSA-N,"InChI=1S/C6H8N2O/c1-8-4-6(2-3-9)7-5-8/h3-5H,2H2,1H3",[H]C(=O)C([H])([H])C1=C([H])N(C([H])=N1)C([H])([H])[H]
3mob,"alpha-Ketoisovaleric acid",C5H7O3,-1,116.1152,116.0473441,C00141,49,16530,HMDB0000019,"",3mob,3mob,FDB012250,48,"2-KETO-ISOVALERATE",3mob,"Alpha-ketoisovalerate",DB04074,cpd00123,MNXM238,C00007623,5091,759-05-7,DTXSID6061078,QHKABHOOEWYVLI-UHFFFAOYSA-M,"InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)/p-1",[H]C([H])([H])C([H])(C(=O)C([O-])=O)C([H])([H])[H]
3mop,"3-Methyl-2-Oxovaleric Acid",C6H9O3,-1,130.1418,130.0629942,C03465,47,35932,HMDB0000491,"",3mop,3mop,FDB021447,46,"2-KETO-3-METHYL-VALERATE",3mop,"",,cpd00508,MNXM439,,5478,1460-34-0,DTXSID50862670,JVQYSWDUAOAHFM-UHFFFAOYSA-M,"InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1",[H]C([H])([H])C([H])([H])C([H])(C(=O)C([O-])=O)C([H])([H])[H]
3mox4hoxm,"Vanillylmandelic acid",C9H9O5,-1,198.1727,198.0528234,C05584,736172,1127735,HMDB0000291,"",3mox4hoxm,3mox4hoxm,FDB021931,643307,"",3mox4hoxm,"Vanillylmandelic acid",,,MNXM163196,,697,55-10-7,DTXSID10861583,CGQCWMIAEPEHNQ-UHFFFAOYSA-M,"InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/p-1",[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C([H])(O[H])C([O-])=O
3mox4hpac,"Homovanillin",C9H10O3,0,166.1739,166.0629942,C05581,151276,28111,HMDB0005175,"homovanillin",3mox4hpac,3mox4hpac,FDB023632,133331,"",3mox4hpac,"",,,MNXM4183,,NaN,5703-24-2,DTXSID70205641,GOQGGGANVKPMNH-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3",[H]OC1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])=O
3moxtyr,"3-Methoxytyramine",C9H14NO2,1,167.205,167.0946287,C05587,1669,742324,HMDB0000022,"",3moxtyr,3moxtyr,FDB021876,1606,"",3moxtyr,"",,,MNXM3848,C00042132,5094,554-52-9,,DIVQKHQLANKJQO-UHFFFAOYSA-N,"InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3",[H]OC1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])N([H])[H]
3msaclt,"3-Methylsalicylate",C8H7O3,-1,0,0,,NaN,NaN,HMDB0002390,"",,,,NaN,"",,"",,cpd09791,,,NaN,,,,"",
3mtp,"S-Methyl propanethioate",C4H8OS,0,104.171,104.0295856,,521869,NaN,HMDB0031192,"",,3mtp,FDB003212,455231,"",3mtp,"",,,MNXM2782,,NaN,5925-75-7,,AIILTVHCLAEMDA-UHFFFAOYSA-N,"InChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3",[H]C([H])([H])SC(=O)C([H])([H])C([H])([H])[H]
3ocddcoa,"3-Hydroxyoctadecadienoyl Coenzyme A",C39H62N7O18P3S,-4,0,0,,NaN,NaN,,"",3ocddcoa,3ocddcoa,,NaN,"",,"",,,,,NaN,,,,"",
3ocddec5eACP,"3-oxo-cis-dodec-5-enoyl-[acyl-carrier protein]",C23H39N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3ocddec5eACP,"",,,MNXM6837,,NaN,,,,"",
3ocmrs7eACP,"3-oxo-cis-myristol-7-eoyl-[acyl-carrier protein]",C25H43N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3ocmrs7eACP,"",,,MNXM6838,,NaN,,,,"",
3ocpalm9eACP,"3-oxo-cis-palm-9-eoyl-[acyl-carrier protein]",C27H47N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3ocpalm9eACP,"",,,MNXM6839,,NaN,,,,"",
3octdec2crn,"3-Hydroxyoctadecadienoylcarnitine",C25H45NO5,0,0,0,,NaN,NaN,,"",3octdec2crn,3octdec2crn,,NaN,"",,"",,,,,NaN,,,WQYXCASYXUFNSI-UHFFFAOYSA-N,"InChI=1S/C25H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)19-25(30)31-23(20-24(28)29)21-26(2,3)4/h9-10,12-13,22-23,27H,5-8,11,14-21H2,1-4H3",[H]OC([H])(C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
3octdeccrn,"3-Hydroxyoctadecanoyl Carnitine",C25H49NO5,0,0,0,,NaN,NaN,,"",3octdeccrn,3octdeccrn,,NaN,"",,"",,,,,NaN,,,PWZJXSPDNGIODC-UHFFFAOYSA-N,"InChI=1S/C25H49NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)19-25(30)31-23(20-24(28)29)21-26(2,3)4/h22-23,27H,5-21H2,1-4H3",[H]OC([H])(C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
3octdece1coa,"3-Hydroxyoctadecenoyl Coenzyme A",C39H64N7O18P3S,-4,0,0,,NaN,NaN,,"",3octdece1coa,3octdece1coa,,NaN,"",,"",,,,,NaN,,,SCDXBWNPJAGEEK-ORSZBQJQSA-J,"InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h9-10,25-28,32-34,38,47,50-51H,4-8,11-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b10-9-/t27-,28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3octdece1crn,"3-Hydroxy-11Z-octadecenoylcarnitine",C25H47NO5,0,441.6444,441.3454236,,53481697,NaN,HMDB0013339,"",3octdece1crn,3octdece1crn,FDB021866,NaN,"",,"",,,,,NaN,,,DGNPJQDFCXFOEZ-OEPBMOORSA-N,"InChI=1S/C25H47NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(27)21-25(30)31-23(26(2,3)4)19-20-24(28)29/h10-11,22-23,27H,5-9,12-21H2,1-4H3/b11-10-/t22?,23-/m0/s1",[H]OC([H])(C([H])([H])C(=O)O[C@@]([H])(C([H])([H])C([H])([H])C([O-])=O)[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
3octdectecoa,"3,6,9,12-Octadecatetraenoyl Coenzyme A",C39H58N7O17P3S,-4,0,0,,NaN,NaN,,"",3octdectecoa,3octdectecoa,,NaN,"",,"",,,,,NaN,,,WCELJRJTALYIIW-HKPSJFIHSA-J,"InChI=1S/C39H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,14-15,17-18,26-28,32-34,38,49-50H,4-7,10,13,16,19-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b9-8?,12-11-,15-14-,18-17-/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3octpencoa,"3,6,9,12,15-Octadecapentenoyl Coenzyme A",C39H56N7O17P3S,-4,0,0,,NaN,NaN,,"",3octpencoa,3octpencoa,,NaN,"",,"",,,,,NaN,,,OXIBOYIJXMSCFS-CYLGIIOVSA-J,"InChI=1S/C39H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,14-15,17-18,26-28,32-34,38,49-50H,4,7,10,13,16,19-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b6-5+,9-8+,12-11+,15-14+,18-17+/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3ocvac11eACP,"3-oxo-cis-vacc-11-enoyl-[acyl-carrier protein]",C29H51N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3ocvac11eACP,"",,,MNXM6840,,NaN,,,,"",
3odcoa,"3-Oxodecanoyl-CoA",C31H48N7O18P3S,-4,935.767,935.2302381,C05265,440606,28528,HMDB0003939,"3-oxodecanoyl-CoA",3odcoa,3odcoa,FDB023258,389504,"",3odcoa,"",,cpd03119,MNXM677,,NaN,50411-91-1,DTXSID80331506,AZCVXMAPLHSIKY-HSJNEKGZSA-J,"InChI=1S/C31H52N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-18,20,24-26,30,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t20-,24-,25-,26+,30-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3oddcoa,"3-Oxododecanoyl-CoA",C33H52N7O18P3S,-4,963.82,963.2615382,C05263,440604,27868,HMDB0003937,"3-oxolauroyl-CoA",3oddcoa,3oddcoa,FDB023256,389502,"",3oddcoa,"",,cpd03117,MNXM705,,NaN,78303-19-2,DTXSID20331505,HQANBZHVWIDNQZ-GMHMEAMDSA-J,"InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t22-,26-,27-,28+,32-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3oddecACP,"3-Oxododecanoyl-[acyl-carrier protein]",C23H41N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3oddecACP,"",,,MNXM28933,,NaN,,,,"",
3odecACP,"3-Oxodecanoyl-[acyl-carrier protein]",C21H37N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3odecACP,"",,,MNXM26616,,NaN,,,,"",
3ogACPm,"3-Ketoglutaryl-ACP Methyl Ester",C17H27N2O11PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3ohacmp,"3-Hydroxy-Acetaminophen",C8H9NO3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3ohcoa,"3-Oxohexanoyl-CoA",C27H40N7O18P3S,-4,0,0,,NaN,NaN,HMDB0003943,"",,,,NaN,"",3ohcoa,"",,cpd03123,MNXM717,,NaN,,,,"",
3ohdcoa,"3-Oxohexadecanoyl-CoA",C37H60N7O18P3S,-4,1019.926,1019.324139,C05259,440601,15491,HMDB0006402,"3-oxopalmitoyl-CoA",3ohdcoa,3ohdcoa,FDB023908,389499,"3-OXOPALMITOYL-COA",3ohdcoa,"",,cpd03114,MNXM738,,NaN,34619-89-1,,NQMPLXPCRJOSHL-BBECNAHFSA-J,"InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3ohexACP,"3-Oxohexanoyl-[acyl-carrier protein]",C17H29N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3ohexACP,"",,,MNXM25602,,NaN,,,,"",
3ohglutac,"3-Hydroxy-Glutarate",C5H6O5,-2,0,0,,NaN,NaN,,"",,3ohglutac,,NaN,"",,"",,,,,NaN,,,ZQHYXNSQOIDNTL-UHFFFAOYSA-L,"InChI=1S/C5H8O5/c6-3(1-4(7)8)2-5(9)10/h3,6H,1-2H2,(H,7,8)(H,9,10)/p-2",[H]OC([H])(C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
3ohodcoa,"3-Oxooctadecanoyl-CoA",C39H64N7O18P3S,-4,1045.964,1045.339789,C16216,22833663,NaN,HMDB0006498,"3-oxooctadecanoyl-CoA",3ohodcoa,3ohodcoa,FDB023942,17216373,"",3ohodcoa,"",,,MNXM513,,NaN,86370-20-9,,LGOGWHDPDVAUNY-LFZQUHGESA-J,"InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-26,28,32-34,38,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3ohsebac,"3-Hydroxy-Sebacic Acid",C10H16O5,-2,0,0,,NaN,NaN,,"",,3ohsebac,,NaN,"",,"",,,,,NaN,,,OQYZCCKCJQWHIE-UHFFFAOYSA-L,"InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)/p-2",[H]OC([H])(C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
3ohsebcoa,"3-Hydroxy-Sebacoyl Coenzyme A",C31H47N7O20P3S,-5,0,0,,NaN,NaN,,"",,3ohsebcoa,,NaN,"",,"",,,,,NaN,,,JHBHJIVEUAFZCF-UHFFFAOYSA-I,"InChI=1S/C31H52N7O20P3S/c1-31(2,26(45)29(46)34-10-9-20(40)33-11-12-62-22(43)13-18(39)7-5-3-4-6-8-21(41)42)15-55-61(52,53)58-60(50,51)54-14-19-24(44)25(57-59(47,48)49)30(56-19)38-17-37-23-27(32)35-16-36-28(23)38/h16-19,24-26,30,39,44-45H,3-15H2,1-2H3,(H,33,40)(H,34,46)(H,41,42)(H,50,51)(H,52,53)(H2,32,35,36)(H2,47,48,49)/p-5",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(OP([O-])([O-])=O)C1([H])O[H]
3ohsubac,"3-Hydoxy-Suberic Acid",C8H12O5,-2,0,0,,NaN,NaN,,"",,3ohsubac,,NaN,"",,"",,,,,NaN,,,ARJZZFJXSNJKGR-UHFFFAOYSA-L,"InChI=1S/C8H14O5/c9-6(5-8(12)13)3-1-2-4-7(10)11/h6,9H,1-5H2,(H,10,11)(H,12,13)/p-2",[H]OC([H])(C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
3ohsubcoa,"3-Hydoxy-Suberyl Coenzyme A",C29H43N7O20P3S,-5,0,0,,NaN,NaN,,"",,3ohsubcoa,,NaN,"",,"",,,,,NaN,,,AXTXBAGVBAFLGE-UHFFFAOYSA-I,"InChI=1S/C29H48N7O20P3S/c1-29(2,24(43)27(44)32-8-7-18(38)31-9-10-60-20(41)6-4-3-5-16(37)11-19(39)40)13-53-59(50,51)56-58(48,49)52-12-17-22(42)23(55-57(45,46)47)28(54-17)36-15-35-21-25(30)33-14-34-26(21)36/h14-17,22-24,28,37,42-43H,3-13H2,1-2H3,(H,31,38)(H,32,44)(H,39,40)(H,48,49)(H,50,51)(H2,30,33,34)(H2,45,46,47)/p-5",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(OP([O-])([O-])=O)C1([H])O[H]
3ohxccoa,"3-Oxohexacosyl Coenzyme A",C47H80N7O18P3S,-4,0,0,,NaN,NaN,,"",,3ohxccoa,,NaN,"",3ohxccoa,"",,,MNXM36758,,NaN,,,VOMUIFOBQMYJPJ-GHTQTPJDSA-J,"InChI=1S/C47H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-34,36,40-42,46,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t36-,40-,41-,42+,46-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3omrsACP,"3-Oxotetradecanoyl-[acyl-carrier protein]",C25H45N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3omrsACP,"",,,MNXM26095,,NaN,,,,"",
3oocoa,"3-Oxooctanoyl-CoA",C29H44N7O18P3S,-4,0,0,,NaN,NaN,HMDB0003941,"",,,,NaN,"",3oocoa,"",,cpd03121,MNXM706,,NaN,,,,"",
3ooctACP,"3-Oxooctanoyl-[acyl-carrier protein]",C19H33N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3ooctACP,"",,,MNXM28031,,NaN,,,,"",
3ooctdACP,"3-Oxooctadecanoyl-[acyl-carrier protein]",C29H53N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3ooctdACP,"",,,MNXM3491,,NaN,,,,"",
3opACPm,"3-ketopimeloyl-ACP methyl ester",C19H31N2O11PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3opalmACP,"3-Oxohexadecanoyl-[acyl-carrier protein]",C27H49N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3opalmACP,"",,,MNXM4345,,NaN,,,,"",
3ophb,"3-Octaprenyl-4-hydroxybenzoate",C47H69O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",3ophb,"",,cpd03443,MNXM2195,,NaN,,,,"",
3otdcoa,"3-Oxotetradecanoyl-CoA",C35H56N7O18P3S,-4,991.873,991.2928384,C05261,11966197,28726,HMDB0003935,"3-oxotetradecanoyl-CoA",3otdcoa,3otdcoa,FDB023254,10140190,"",3otdcoa,"",,cpd12689,MNXM707,,NaN,122364-86-7,,IQNFBGHLIVBNOU-QSGBVPJFSA-J,"InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-22,24,28-30,34,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/t24-,28-,29-,30+,34-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3oxoadp,"3-Oxoadipic acid",C6H6O5,-2,160.1247,160.0371734,C00846,93,37440,HMDB0000398,"",,,FDB022015,91,"",3oxoadp,"",,cpd00630,MNXM716,,5387,689-31-6,DTXSID30218974,RTGHRDFWYQHVFW-UHFFFAOYSA-N,"InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)",
3padsel,"3-Phosphoadenylylselenate",C10H11N5O13P2Se,-4,554.16,554.9306804,C05696,24892762,28450,HMDB0011104,"",,,FDB027887,NaN,"",3padsel,"",,cpd03395,MNXM92909,,NaN,,,AZRLZPIFEZUZLW-KQYNXXCUSA-J,"InChI=1S/C10H15N5O13P2Se/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/p-4/t4-,6-,7-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)O[Se]([O-])(=O)=O)[C@@]1([H])OP([O-])([O-])=O)N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
3pentcoa,"3-pentenoyl-CoA",C26H38N7O17P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
3pg,"(2R)-2-Hydroxy-3-(phosphonatooxy)propanoate",C3H4O7P,-3,186.0572,185.9929391,C00197,439183,17794,HMDB0060180,"",3pg,3pg,,388326,"G3P",3pg,"3-Phosphoglyceric_acid",,cpd00169,MNXM126,C00007286,NaN,820-11-1,,OSJPPGNTCRNQQC-UWTATZPHSA-K,"InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/p-3/t2-/m1/s1",[H]O[C@@]([H])(C([O-])=O)C([H])([H])OP([O-])([O-])=O
3php,"Phosphohydroxypyruvic acid",C3H2O7P,-3,184.0414,183.977289,C03232,105,30933,HMDB0001024,"",3php,3php,FDB022377,103,"3-P-HYDROXYPYRUVATE",3php,"Phosphohydroxypyruvic acid",,cpd02069,MNXM541,C00019657,484,3913-50-6,,LFLUCDOSQPJJBE-UHFFFAOYSA-K,"InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)/p-3",[H]C([H])(OP([O-])([O-])=O)C(=O)C([O-])=O
3psme,"5-O-(1-Carboxyvinyl)-3-phosphoshikimate",C10H9O10P,-4,0,0,,NaN,NaN,,"",,,,NaN,"",3psme,"",,cpd00932,MNXM1365,,NaN,,,,"",
3sala,"3-Sulfinoalanine",C3H5NO4S,-2,153.157,153.0095784,C00606,439270,41721,HMDB0000996,"",3sala,3sala,FDB022358,16743745,"3-SULFINOALANINE",3sala,"",,cpd00467,MNXM498,,5927,1115-65-7,,ADVPTQAUNPRNPO-REOHCLBHSA-L,"InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/p-2/t2-/m0/s1",[H]N([H])[C@]([H])(C([O-])=O)C([H])([H])S([O-])=O
3snpyr,"3-Sulfinylpyruvic acid",C3H2O5S,-2,151.118,150.9701189,C05527,6398963,NaN,HMDB0001405,"",3snpyr,3snpyr,FDB022603,4911362,"3-SULFINYL-PYRUVATE",3snpyr,"",,cpd03284,MNXM162632,,6222,,,JXYLQEMXCAAMOL-UHFFFAOYSA-L,"InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)/p-2",[H]C([H])(C(=O)C([O-])=O)S([O-])=O
3spyr,"3-Sulfopyruvic acid",C3H2O6S,-2,0,0,C05528,440717,16894,HMDB0004045,"",3spyr,3spyr,FDB023289,389590,"",3spyr,"",,,MNXM594,,NaN,,,BUTHMSUEBYPMKJ-UHFFFAOYSA-L,"InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)/p-2",[H]C([H])(C(=O)C([O-])=O)S([O-])(=O)=O
3tdcrn,"3-Hydroxy-Tetradecanoyl Carnitine",C21H41NO5,0,0,0,,NaN,NaN,,"",3tdcrn,3tdcrn,,NaN,"",3tdcrn,"",,,MNXM150929,,NaN,,,GFAZJTUXMHGTOC-UHFFFAOYSA-N,"InChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)15-21(26)27-19(16-20(24)25)17-22(2,3)4/h18-19,23H,5-17H2,1-4H3",[H]OC([H])(C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
3tetd7ecoa,"3-Hydroxy Tetradecenoyl-7 Coenzyme A",C35H56N7O18P3S,-4,0,0,,NaN,NaN,,"",3tetd7ecoa,3tetd7ecoa,,NaN,"",,"",,,,,NaN,,,WGCARZJTIJIWSL-UUVSMMHLSA-J,"InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h9-10,21-24,28-30,34,43,46-47H,4-8,11-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b10-9-/t23?,24-,28-,29-,30+,34-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3tetd7ecoacrn,"3-Hydroxy Tetradecenoyl-7-Carnitine",C21H39NO5,0,0,0,,NaN,NaN,,"",3tetd7ecoacrn,3tetd7ecoacrn,,NaN,"",,"",,,,,NaN,,,,"",
3thexddcoa,"3-Hydroxy Trans7,10-Hexadecadienoyl Coenzyme A",C37H58N7O18P3S,-4,0,0,,NaN,NaN,,"",,3thexddcoa,,NaN,"",,"",,,,,NaN,,,FODZOBVFWXSQFM-OPBNJXLTSA-J,"InChI=1S/C37H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h8-9,11-12,23-26,30-32,36,45,48-49H,4-7,10,13-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b9-8+,12-11+/t25?,26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3thexddcoacrn,"3-Hydroxy Trans7,10-Hexadecadienoyl Carnitine",C23H41NO5,0,0,0,,NaN,NaN,,"",3thexddcoacrn,3thexddcoacrn,,NaN,"",,"",,,,,NaN,,,,"",
3ttetddcoa,"3-Hydroxy Trans5,8Tetradecadienoyl Coenzyme A",C35H54N7O18P3S,-4,0,0,,NaN,NaN,,"",3ttetddcoa,3ttetddcoa,,NaN,"",,"",,,,,NaN,,,SDWYDRDZISFNSH-DNBBPBRLSA-J,"InChI=1S/C35H58N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h8-9,11-12,21-24,28-30,34,43,46-47H,4-7,10,13-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b9-8+,12-11+/t23?,24-,28-,29-,30+,34-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
3ttetddcoacrn,"3-Hydroxy Trans5,8Tetradecadienoyl Carnitine",C21H37NO5,0,0,0,,NaN,NaN,,"",3ttetddcoacrn,3ttetddcoacrn,,NaN,"",,"",,,,,NaN,,,,"",
3uib,"Ureidoisobutyric acid",C5H9N2O3,-1,146.1445,146.0691422,C05100,160663,1670,HMDB0002031,"",3uib,3uib,FDB022808,141172,"3-UREIDO-ISOBUTYRATE",3uib,"Beta-Ureidoisobutyric_acid",,cpd03034,MNXM1015,,NaN,2905-86-4,,PHENTZNALBMCQD-UHFFFAOYSA-M,"InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)/p-1",[H]N([H])C(=O)N([H])C([H])([H])C([H])(C([O-])=O)C([H])([H])[H]
3ump,"3'-UMP",C9H11N2O9P,-2,324.1813,324.0358665,C01368,101543,28895,HMDB0060282,"",,3ump,,91753,"",3ump,"",,cpd00989,MNXM2184,,NaN,,,FOGRQMPFHUHIGU-PSQAKQOGSA-L,"InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=O)[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
42A3HP24DB,"4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid",C10H8NO5,-1,223.1822,223.0480724,C05645,440741,NaN,HMDB0004083,"",42A3HP24DB,42A3HP24DB,FDB023305,389612,"",42A3HP24DB,"",,,MNXM163203,,NaN,,,YCJNYHCCOXVYAF-UHFFFAOYSA-M,"InChI=1S/C10H9NO5/c11-9-5(2-1-3-6(9)12)7(13)4-8(14)10(15)16/h1-3,12H,4,11H2,(H,15,16)/p-1",[H]OC1=C([H])C([H])=C([H])C(C(=O)C([H])([H])C(=O)C([O-])=O)=C1N([H])[H]
44dpnspr,"4,4-Diaponeurosporene",C30H42,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd14866,,,NaN,,,,"",
44mctr,"4,4-Dimethylcholesta-8,14,24-trienol",C29H46O,0,410.6749,410.3548661,C11455,443212,17813,HMDB0001023,"",44mctr,44mctr,FDB022376,391478,"44-DIMETHYL-CHOLESTA-812-24-TRIENOL",44mctr,"",,,MNXM97101,,5952,64284-64-6,,LFQXEZVYNCBVDO-PBJLWWPKSA-N,"InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C3=C(C4=C([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])[C@@]2([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
44mzym,"4,4-Dimethyl-5a-cholesta-8,24-dien-3-b-ol",C29H48O,0,412.6908,412.3705162,C05108,50990081,18364,HMDB0001286,"",44mzym,44mzym,FDB022534,25994967,"44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET",44mzym,"",,,MNXM146507,,6135,,,CHGIKSSZNBCNDW-QGBOJXOESA-N,"InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3/t20-,22-,23+,25+,26+,28-,29-/m1/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C3=C(C([H])([H])C([H])([H])[C@@]2([H])C1(C([H])([H])[H])C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])[H]
46dhoxquin,"4,6-Dihydroxyquinoline",C9H7NO2,0,161.1574,161.0476785,C05639,440738,28799,HMDB0004077,"",,,FDB023301,389609,"",46dhoxquin,"",,,MNXM9072,,NaN,3517-61-1,DTXSID20331520,XFALURCRIGINGT-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-6-1-2-8-7(5-6)9(12)3-4-10-8/h1-5,11H,(H,10,12)",[H]OC1=C([H])C([H])=C2N=C([H])C([H])=C(O[H])C2=C1[H]
48dhoxquin,"Quinoline-4,8-diol",C9H7NO2,0,161.1574,161.0476785,,NaN,28883,HMDB0060289,"",,,,NaN,"",48dhoxquin,"",,,MNXM9073,,NaN,,DTXSID40879696,PYELIMVFIITPER-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-7-4-5-10-9-6(7)2-1-3-8(9)12/h1-5,12H,(H,10,11)",[H]OC1=C([H])C([H])=NC2=C(O[H])C([H])=C([H])C([H])=C12
4aabutn,"4-Acetamidobutanoic acid",C6H10NO3,-1,145.1564,145.0738932,C02946,18189,17645,HMDB0003681,"",4aabutn,4aabutn,FDB023214,17180,"CPD-570",4aabutn,"",,,MNXM2083,,NaN,3025-96-5,DTXSID50184344,UZTFMUBKZQVKLK-UHFFFAOYSA-M,"InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)/p-1",[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
4abut,"gamma-Aminobutyric acid",C4H9NO2,0,103.1198,103.0633285,C00334,119,16865,HMDB0000112,"",4abut,4abut,FDB008937,116,"4-AMINO-BUTYRATE",4abut,"GABA",DB02530,cpd00281,MNXM192,C00001337,NaN,56-12-2,DTXSID6035106,BTCSSZJGUNDROE-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
4abutn,"4-Aminobutyraldehyde",C4H10NO,1,87.1204,87.06841392,C00555,118,17769,HMDB0001080,"",4abutn,4abutn,FDB022412,115,"4-AMINO-BUTYRALDEHYDE",4abutn,"",,cpd00434,MNXM422,C00019656,3225,4390-05-0,,DZQLQEYLEYWJIB-UHFFFAOYSA-O,"InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2/p+1",[H]C(=O)C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
4abz,"4-Aminobenzoate",C7H6NO2,-1,0,0,,NaN,NaN,HMDB0001392,"",,,,NaN,"",4abz,"",,cpd00443,MNXM421,,NaN,,,,"",
4adcho,"4-amino-4-deoxychorismate",C10H10NO5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",4adcho,"",,cpd08210,MNXM1458,,NaN,,,,"",
4ahmmp,"4-Amino-5-hydroxymethyl-2-methylpyrimidine",C6H9N3O,0,0,0,,NaN,NaN,,"",,,,NaN,"",4ahmmp,"",,cpd00939,MNXM874,,NaN,,,,"",
4ampm,"4-Amino-2-methyl-5-phosphomethylpyrimidine",C6H8N3O4P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",4ampm,"",,cpd02775,MNXM790,,NaN,,,,"",
4aphdob,"4-(2-Aminophenyl)-2,4-dioxobutanoic acid",C10H8NO4,-1,207.1828,207.0531578,C01252,472,17442,HMDB0000978,"",4aphdob,4aphdob,FDB022348,459,"CPD-476",4aphdob,"",,,MNXM163204,,5916,,,CAOVWYZQMPNAFJ-UHFFFAOYSA-M,"InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)/p-1",[H]N([H])C1=C(C([H])=C([H])C([H])=C1[H])C(=O)C([H])([H])C(=O)C([O-])=O
4bhglz,"4-Beta-OH-Gliclazide",C15H20N3O4S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
4c2me,"4-(cytidine 5-diphospho)-2-C-methyl-D-erythritol",C14H23N3O14P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",4c2me,"",,cpd08287,MNXM1642,,NaN,,,,"",
4fumacac,"4-Fumarylacetoacetic acid",C8H6O6,-2,200.1455,200.032088,C01061,5280398,30907,HMDB0001268,"",4fumacac,4fumacac,FDB022522,4444081,"4-FUMARYL-ACETOACETATE",4fumacac,"Fumarylacetoacetate",,,MNXM708,C00007599,6123,28613-33-4,,GACSIVHAIFQKTC-OWOJBTEDSA-L,"InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/p-2/b2-1+",[H]\C(=C(\[H])C(=O)C([H])([H])C(=O)C([H])([H])C([O-])=O)C([O-])=O
4glu56dihdind,"4-S-Glutathionyl-5,6-Dihydroxyindoline",C18H23N4O8S,-1,0,0,,NaN,NaN,,"",,4glu56dihdind,,NaN,"",,"",,,,,NaN,,,OWLBFEJNNSEXED-ONGXEEELSA-M,"InChI=1S/C18H24N4O8S/c19-9(18(29)30)1-2-13(24)22-11(17(28)21-6-14(25)26)7-31-16-8-3-4-20-10(8)5-12(23)15(16)27/h5,9,11,20,23,27H,1-4,6-7,19H2,(H,21,28)(H,22,24)(H,25,26)(H,29,30)/p-1/t9-,11-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C([O-])=O)C([H])([H])SC1=C2C(N([H])C([H])([H])C2([H])[H])=C([H])C(O[H])=C1O[H]
4gubut,"4-Guanidinobutanoate",C5H11N3O2,0,0,0,,NaN,NaN,HMDB0003464,"",,,,NaN,"",,"",,cpd00762,,,NaN,,,,"",
4gudbd,"4-Guanidinobutanamide",C5H13N4O,1,0,0,,NaN,NaN,,"",,,,NaN,"",4gudbd,"",,cpd01973,MNXM2617,,NaN,,,,"",
4h2oglt,"4-Hydroxy-2-oxoglutaric acid",C5H4O6,-2,162.0975,162.0164379,C01127,599,30923,HMDB0002070,"",4h2oglt,4h2oglt,FDB022830,579,"D-4-HYDROXY-2-KETO-GLUTARATE",4h2oglt,"",,cpd00830,MNXM894,,6471,1187-99-1,,WXSKVKPSMAHCSG-UHFFFAOYSA-L,"InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)/p-2",[H]OC([H])(C([O-])=O)C([H])([H])C(=O)C([O-])=O
4h2opntn,"4-Hydroxy-2-oxopentanoate",C5H7O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",4h2opntn,"",,cpd02258,MNXM1176,,NaN,,,,"",
4hatvacid,"4-Hydroxy-Atorvastatin-Acid / Para-Hydroxy-Atorvastatin-Acid",C33H34FN2O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
4hatvlac,"4-Hydroxy-Atorvastatin-Lactone / Para-Hydroxy-Atorvastatin Lactone",C33H33FN2O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
4hba,"4-Hydroxy-benzyl alcohol",C7H8O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",4hba,"",,cpd15378,MNXM107505,,NaN,,,,"",
4hbald,"4-Hydroxybenzaldehyde (iJN746)",C7H6O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",4hbald,"",,cpd00484,MNXM577,,NaN,,,,"",
4hbutcoa,"4-Hydroxybutyryl-CoA",C25H38N7O18P3S,-4,0,0,C11062,NaN,28522,,"",,,,NaN,"",4hbutcoa,"",,cpd07946,MNXM2334,,NaN,,,,"InChI=1S/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-54-16(35)4-3-8-33)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,33,36-37H,3-11H2,1-2H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1",
4hbz,"4-Hydroxybenzoic acid",C7H5O3,-1,138.122,138.0316941,C00156,135,30763,HMDB0000500,"",4hbz,4hbz,FDB010508,132,"",4hbz,"4-Hydroxybenzoic acid",DB04242,cpd00136,MNXM164,C00000856,5486,99-96-7,DTXSID3026647,FJKROLUGYXJWQN-UHFFFAOYSA-M,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/p-1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([O-])=O
4hbzcoa,"4-hydroxybenzoyl-CoA",C28H36N7O18P3S,-4,887.64,887.1363377,C02949,NaN,NaN,HMDB0006467,"",4hbzcoa,4hbzcoa,FDB023926,NaN,"",4hbzcoa,"",,,MNXM739,,NaN,,,LTVXPVBFJBTNIJ-TYHXJLICSA-J,"InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t17-,20-,21-,22+,26-/m1/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
4hdebrisoquine,"4-Hydroxydebrisoquine",C10H14N3O,1,191.2297,191.1058621,,107669,63800,HMDB0006468,"",4hdebrisoquine,4hdebrisoquine,FDB023927,96842,"",4hdebrisoquine,"",,,MNXM10135,,NaN,59333-79-8,,AKFURXZANOMQBD-UHFFFAOYSA-O,"InChI=1S/C10H13N3O/c11-10(12)13-5-7-3-1-2-4-8(7)9(14)6-13/h1-4,9,14H,5-6H2,(H3,11,12)/p+1",[H]OC1([H])C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])N(C(N([H])[H])=[N+]([H])[H])C1([H])[H]
4hdxbutn,"4-Hydroxybutyric acid",C4H7O3,-1,104.1045,104.0473441,C00989,10413,30830,HMDB0000710,"",,,FDB022196,9984,"4-HYDROXY-BUTYRATE",,"gamma-hydroxybutyric acid",DB01440,cpd00728,,,5678,591-81-1,DTXSID2074740,SJZRECIVHVDYJC-UHFFFAOYSA-N,"InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)",
4hexdtetcoa,"4,7,10,13-Hexadecatetraenoyl Coenzyme A",C37H54N7O17P3S,-4,0,0,,NaN,NaN,,"",4hexdtetcoa,4hexdtetcoa,,NaN,"",,"",,,,,NaN,,,JTUHLFLWSYGZLP-WADDQEABSA-J,"InChI=1S/C37H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h5-6,8-9,11-12,14-15,24-26,30-32,36,47-48H,4,7,10,13,16-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b6-5-,9-8-,12-11-,15-14-/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
4hexdtricoa,"4,7,10-Hexadecatrienoyl Coenzyme A",C37H56N7O17P3S,-4,0,0,,NaN,NaN,,"",4hexdtricoa,4hexdtricoa,,NaN,"",,"",,,,,NaN,,,YYLOAXRAIXUEOW-LTIZAJKCSA-J,"InChI=1S/C37H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h8-9,11-12,14-15,24-26,30-32,36,47-48H,4-7,10,13,16-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b9-8-,12-11-,15-14+/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
4hglusa,"L-4-Hydroxyglutamate semialdehyde",C5H9NO4,0,147.1293,147.0531578,C05938,440851,27809,HMDB0006556,"",4hglusa,4hglusa,FDB023970,389693,"",4hglusa,"",,,MNXM2687,,NaN,,,XCXUZPXOFFRGGP-DMTCNVIQSA-N,"InChI=1S/C5H9NO4/c6-4(5(9)10)1-3(8)2-7/h2-4,8H,1,6H2,(H,9,10)/t3-,4+/m1/s1",[H]O[C@@]([H])(C([H])=O)C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
4hmcachl,"4-Hydroxymethylcatechol",C7H8O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd09813,,,NaN,,,,"",
4hmdgluc,"4-OH-Midazolam-Glucuronide",C24H20ClFN3O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
4hmsaclt,"4-Hydroxymethylsalicylate",C8H7O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd09812,,,NaN,,,,"",
4hoxpacd,"4-Hydroxyphenylacetaldehyde",C8H8O2,0,136.1479,136.0524295,C03765,440113,15621,HMDB0003767,"",4hoxpacd,4hoxpacd,FDB023224,389113,"HYDRPHENYLAC-CPD",4hoxpacd,"",,cpd02361,MNXM479,C00051850,NaN,7339-87-9,DTXSID00223631,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])=O
4hphac,"p-Hydroxyphenylacetic acid",C8H7O3,-1,152.1473,152.0473441,C00642,127,18101,HMDB0000020,"",4hphac,4hphac,FDB010534,124,"4-HYDROXYPHENYLACETATE",4hphac,"",,cpd00489,MNXM3863,C00050490,130,156-38-7,DTXSID70186062,XQXPVVBIMDBYFF-UHFFFAOYSA-M,"InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)/p-1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([O-])=O
4hphacp,"Hydroxyphehylacetyl phosphate",C8H7O6P,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
4hpro_D,"cis-4-Hydroxy-D-proline",C5H9NO3,0,131.1299,131.0582432,C03440,440014,16231,HMDB0060460,"",,,,389028,"",,"",,cpd02175,,,NaN,,,PMMYEEVYMWASQN-QWWZWVQMSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m1/s1",
4hpro_LT,"4-Hydroxyproline",C5H9NO3,0,131.1299,131.0582432,C01157,5810,18095,HMDB0000725,"",4hpro_LT,4hpro_LT,FDB013511,5605,"L-4-HYDROXY-PROLINE",4hpro_LT,"Hydroxyproline",,cpd00851,MNXM87584,C00001370,257,51-35-4,DTXSID10883225,PMMYEEVYMWASQN-DMTCNVIQSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1",[H]O[C@@]1([H])C([H])([H])[N+]([H])([H])[C@]([H])(C([O-])=O)C1([H])[H]
4hthr,"4-Hydroxy-L-threonine",C4H9NO4,0,0,0,,NaN,NaN,,"",,,,NaN,"",4hthr,"",,cpd03608,MNXM1802,,NaN,,,,"",
4izp,"4-Imidazolone-5-propionic acid",C6H7N2O3,-1,156.1393,156.0534921,C03680,128,27384,HMDB0001014,"",4izp,4izp,FDB022371,125,"4-IMIDAZOLONE-5-PROPIONATE",4izp,"4-imidazolone-5-propionic acid",,cpd02311,MNXM90394,,319,17340-16-8,,MYNHYKDPSRPBNZ-UHFFFAOYSA-N,"InChI=1S/C6H7N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3H,1-2H2,(H,9,10)(H,7,8,11)/q-1",[H]N1C([H])=[N+]([H])C(=O)[C-]1C([H])([H])C([H])([H])C([O-])=O
4m3hhexACP,"4-methyl-3-hydroxy-hexanoyl-ACP",C18H33N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11497,,,NaN,,,,"",
4m3hpentACP,"4-methyl-3-hydroxy-pentanoyl-ACP",C17H31N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11547,,,NaN,,,,"",
4m3ohexACP,"4-methyl-3-oxo-hexanoyl-ACP",C18H31N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11496,,,NaN,,,,"",
4m3opentACP,"4-methyl-3-oxo-pentanoyl-ACP",C17H29N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11546,,,NaN,,,,"",
4mcat,"4-Methylcatechol",C7H8O2,0,124.1372,124.0524295,C06730,9958,17254,HMDB0000873,"",,,FDB008861,9564,"4-METHYLCATECHOL",4mcat,"",,cpd04117,MNXM961,C00002660,5834,452-86-8,DTXSID5020861,ZBCATMYQYDCTIZ-UHFFFAOYSA-N,"",
4mhetz,"4-Methyl-5-(2-hydroxyethyl)-thiazole",C6H9NOS,0,0,0,,NaN,NaN,HMDB0032985,"",,,,NaN,"",4mhetz,"",,cpd02636,MNXM962,,NaN,,,,"",
4mhexACP,"4-methyl-hexanoyl-ACP",C18H33N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11499,,,NaN,,,,"",
4mlacac,"Maleylacetoacetic acid",C8H6O6,-2,200.1455,200.032088,C01036,5280393,47904,HMDB0002052,"",4mlacac,4mlacac,FDB022817,4444078,"4-MALEYL-ACETOACETATE",4mlacac,"Maleylacetoacetate",,cpd00763,MNXM691,C00007508,6462,5698-52-2,,GACSIVHAIFQKTC-UPHRSURJSA-L,"InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)/p-2/b2-1-",[H]\C(=C(/[H])C(=O)C([H])([H])C(=O)C([H])([H])C([O-])=O)C([O-])=O
4mop,"Ketoleucine",C6H9O3,-1,130.1418,130.0629942,C00233,70,48430,HMDB0000695,"",4mop,4mop,FDB012607,69,"2K-4CH3-PENTANOATE",4mop,"Alpha-ketoisocaproate",DB03229,cpd00200,MNXM404,C00019677,5663,816-66-0,DTXSID6061157,BKAJNAXTPSGJCU-UHFFFAOYSA-M,"InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1",[H]C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C(=O)C([O-])=O
4mpentACP,"4-methyl-pentanoyl-ACP",C17H31N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11549,,,NaN,,,,"",
4mpetz,"4-Methyl-5-(2-phosphoethyl)-thiazole",C6H8NO4PS,-2,0,0,,NaN,NaN,,"",,,,NaN,"",4mpetz,"",,cpd02654,MNXM960,,NaN,,,,"",
4mptnl,"4-Methylpentanal",C6H12O,0,100.1589,100.088815,C02373,129,17998,HMDB0001318,"",4mptnl,4mptnl,FDB022551,126,"4-METHYLPENTANAL",4mptnl,"",,,MNXM162907,,6155,1119-16-0,DTXSID8061509,JGEGJYXHCFUMJF-UHFFFAOYSA-N,"InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3",[H]C(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
4mthex2eACP,"4-methyl-trans-hex-2-enoyl-ACP",C18H31N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11498,,,NaN,,,,"",
4mtob,"4-Methyl-Thio-Oxo-Butyrate",C5H7O3S,-1,0,0,,NaN,NaN,,"",,4mtob,,NaN,"",,"",,,,,NaN,,,SXFSQZDSUWACKX-UHFFFAOYSA-M,"InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)/p-1",[H]C([H])([H])SC([H])([H])C([H])([H])C(=O)C([O-])=O
4mtolbutamide,"4-Hydroxy tolbutamide",C12H18N2O4S,0,286.347,286.0987278,,3656,63799,HMDB0006408,"",4mtolbutamide,4mtolbutamide,FDB023913,3529,"",4mtolbutamide,"",DBMET00212,,MNXM10136,,NaN,1185112-19-9,DTXSID80662029,SJRHYONYKZIRPM-UHFFFAOYSA-N,"InChI=1S/C12H18N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14,16)",[H]OC([H])([H])C1=C([H])C([H])=C(C([H])=C1[H])S(=O)(=O)N([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
4mtpent2eACP,"4-methyl-trans-pent-2-enoyl-ACP",C17H29N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11548,,,NaN,,,,"",
4mzym_int1,"4a-Carboxy-4b-methyl-5a-cholesta-8,24-dien-3b-ol",C29H46O3,0,442.6737,442.3446953,C15808,23724596,NaN,HMDB0001181,"",4mzym_int1,4mzym_int1,FDB022471,NaN,"CPD-4577",4mzym_int1,"",,,MNXM7449,,6062,,,MYWAIWDQTCHPTH-YCIQJMEESA-N,"InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)/t19-,21?,22?,24-,25+,27-,28-,29+/m1/s1",[H]OC(=O)[C@]1(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@@]2(C3=C(C([H])([H])C([H])([H])[C@@]12[H])C1([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])[H]
4mzym_int2,"3-Keto-4-methylzymosterol",C28H44O,0,396.6484,396.339216,C15816,53477900,505093,HMDB0006838,"",4mzym_int2,4mzym_int2,FDB024112,NaN,"CPD-4578",4mzym_int2,"",,,MNXM8744,,NaN,,,DBPZYKHQDWKORQ-PHTXCTJVSA-N,"InChI=1S/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20?,22?,23+,24?,27-,28+/m1/s1",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3=C(C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C([H])(C([H])([H])[H])[C@]1([H])C([H])([H])C3([H])[H]
4nph,"4-Nitrophenol",C6H5NO3,0,139.1088,139.026943,C00870,980,16836,HMDB0001232,"",4nph,4nph,FDB022503,955,"P-NITROPHENOL",4nph,"4-Nitrophenol",DB04417,cpd00646,MNXM162908,,4100,100-02-7,DTXSID70349337,BTJIUGUIPKRLHP-UHFFFAOYSA-N,"InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H",[H]OC1=C([H])C([H])=C(C([H])=C1[H])[N+]([O-])=O
4nphsf,"4-Nitrophenyl sulfate",C6H4NO6S,-1,219.172,218.9837576,,80349,35422,HMDB0006492,"",4nphsf,4nphsf,FDB023939,72581,"",4nphsf,"",,,MNXM10226,,NaN,1080-04-2,DTXSID80148353,JBGHTSSFSSUKLR-UHFFFAOYSA-M,"InChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12)/p-1",[H]C1=C([H])C(=C([H])C([H])=C1OS([O-])(=O)=O)[N+]([O-])=O
4ohbut,"Gamma Hydroxybutyric Acid",C4H7O3,-1,103.0966,103.0395191,C00989,3037032,16724,HMDB0015507,"",,4ohbut,,2300886,"",,"Gamma-Hydroxybutyric_acid",DB01440,,,,4159,591-81-1,DTXSID2074740,SJZRECIVHVDYJC-UHFFFAOYSA-M,"InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)/p-1",[H]OC([H])([H])C([H])([H])C([H])([H])C([O-])=O
4ohmdz,"4-OH-Midazolam",C18H13ClFN3O,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
4pasp,"4-Phospho-L-aspartate",C4H6NO7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",4pasp,"",,cpd01977,MNXM1177,,NaN,,,,"",
4pentcoa,"4-pentenoyl-CoA",C26H38N7O17P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
4per,"4-Phospho-D-erythronate",C4H6O8P,-3,0,0,,NaN,NaN,,"",,,,NaN,"",4per,"",,cpd02147,MNXM1407,,NaN,,,,"",
4ppan,"D-4'-Phosphopantothenate",C9H15NO8P,-3,299.2149,299.0770031,C03492,131,15905,HMDB0001016,"",4ppan,4ppan,FDB022373,128,"4-P-PANTOTHENATE",4ppan,"",,cpd02201,MNXM415,,3427,,,XHFVGHPGDLDEQO-ZETCQYMHSA-K,"InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/p-3/t7-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])([O-])=O
4ppcys,"4-Phosphopantothenoylcysteine",C12H20N2O9PS,-3,402.358,402.0861875,C04352,440304,15769,HMDB0001117,"",4ppcys,4ppcys,FDB022432,389278,"R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE",4ppcys,"",,cpd02666,MNXM483,C00019633,NaN,7196-09-0,DTXSID80222243,XQYALQVLCNHCFT-CBAPKCEASA-K,"InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/p-3/t7-,9-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])S[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])([O-])=O
4pyrdx,"4-Pyridoxic acid",C8H9NO4,0,183.1614,183.0531578,C00847,6723,17405,HMDB0000017,"",4pyrdx,4pyrdx,FDB021874,6467,"CPD-1112",4pyrdx,"",,,MNXM163205,,239,82-82-6,,HXACOUQIXZGNBF-UHFFFAOYSA-N,"InChI=1S/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)",[H]OC1=C([N+]([H])=C([H])C(=C1C([O-])=O)C([H])([H])O[H])C([H])([H])[H]
4r5au,"4-(1-D-Ribitylamino)-5-aminouracil",C9H16N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",4r5au,"",,cpd02882,MNXM791,,NaN,,,,"",
4tmeabut,"4-Trimethylammoniobutanal",C7H16NO,1,130.208,130.1231891,C01149,133,18020,HMDB0001345,"",4tmeabut,4tmeabut,FDB022567,130,"4-TRIMETHYLAMMONIOBUTANAL",4tmeabut,"",,,MNXM163683,,6179,64595-66-0,DTXSID20214844,OITBLCDWXSXNCN-UHFFFAOYSA-N,"InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1",[H]C(=O)C([H])([H])C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
4tmeabutn,"4-Trimethylammoniobutanoic acid",C7H15NO2,0,146.2074,146.1181038,C01181,134,1941,HMDB0001161,"",4tmeabutn,4tmeabutn,FDB022456,131,"4-TRIMETHYLAMMONIOBUTANOATE",4tmeabutn,"",DBMET00521,,MNXM626,,6043,407-64-7,,JHPNVNIEXXLNTR-UHFFFAOYSA-N,"InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
56dhpvs,"3-Keto-5,6,-Dihydroxy-Pravastatin",C23H35NaO9,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
56dihindlcrbxlt,"5,6-Dihydroxyindole-2-carboxylic acid",C9H6NO4,-1,193.1562,193.0375077,C04185,119405,2003,HMDB0001253,"",56dihindlcrbxlt,56dihindlcrbxlt,FDB022514,106648,"56-DIHYDROXYINDOLE-2-CARBOXYLATE",56dihindlcrbxlt,"",,cpd02571,MNXM10284,,6110,,DTXSID40197327,YFTGOBNOJKXZJC-UHFFFAOYSA-M,"InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10-12H,(H,13,14)/p-1",[H]OC1=C(O[H])C([H])=C2C([H])=C(N([H])C2=C1[H])C([O-])=O
56dthm,"Dihydrothymine",C5H8N2O2,0,128.1292,128.0585775,C00906,93556,27468,HMDB0000079,"",56dthm,56dthm,FDB021892,84456,"DIHYDRO-THYMINE",56dthm,"",,cpd00673,MNXM772,,5135,696-04-8,DTXSID30862375,NBAKTGXDIBVZOO-UHFFFAOYSA-N,"InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)",[H]N1C(=O)N([H])C([H])([H])C([H])(C1=O)C([H])([H])[H]
56dura,"Dihydrouracil",C4H6N2O2,0,114.1026,114.0429274,C00429,649,15901,HMDB0000076,"",56dura,56dura,FDB021890,629,"DI-H-URACIL",56dura,"",,cpd00337,MNXM506,,285,504-07-4,DTXSID7060122,OIVLITBTBDPEFK-UHFFFAOYSA-N,"InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)",[H]N1C(=O)N([H])C([H])([H])C([H])([H])C1=O
56eppvs,"5,6-Epoxy-3-Alpha-Iso-Pravastatin",C23H35NaO8,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
5a2opntn,"5-Amino-2-oxopentanoic acid",C5H9NO3,0,131.1299,131.0582432,C01110,439402,49268,HMDB0006272,"",,5a2opntn,FDB023870,388519,"5-AMINO-2-OXOPENTANOATE",5a2opntn,"",,,MNXM1714,,NaN,,,BWHGMFYTDQEALD-UHFFFAOYSA-N,"InChI=1S/C5H9NO3/c6-3-1-2-4(7)5(8)9/h1-3,6H2,(H,8,9)",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([O-])=O
5a3ohex,"(S)-5-Amino-3-oxohexanoate",C6H10NO3,-1,145.1564,145.0738932,C03656,440077,27713,HMDB0012131,"",,,FDB028795,389084,"CPD-159",,"",,,,,NaN,19355-90-9,,FAASBXNEOGMQHS-BYPYZUCNSA-N,"",
5adtststerone,"Dihydrotestosterone",C19H30O2,0,290.4403,290.2245802,C03917,10635,16330,HMDB0002961,"",5adtststerone,5adtststerone,FDB023086,10189,"17-BETA-HYDROXY-5ALPHA-ANDROSTAN-3-O",5adtststerone,"Dihydrotestosterone",DB02901,,MNXM162520,,2789,521-18-6,DTXSID9022364,NVKAWKQGWWIWPM-ABEVXSGRSA-N,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])[C@@]4([H])C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
5adtststeroneglc,"5-alpha-Dihydrotestosterone glucuronide",C25H38O8,0,466.5644,466.2566682,,44263365,89417,HMDB0006203,"",5adtststeroneglc,5adtststeroneglc,FDB023835,24850129,"Beta-D-Glucuronides",5adtststeroneglc,"",DBMET00571,,MNXM8181,,NaN,42037-24-1,,CLQMBSSRTBUNDV-HRPCFKRRSA-N,"InChI=1S/C25H38O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h12,14-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,14-,15-,16+,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1",[H]OC(=O)[C@@]1([H])O[C@@]([H])(O[C@@]2([H])C([H])([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@@]5([H])C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]5(C([H])([H])[H])[C@]4([H])C([H])([H])C([H])([H])[C@]23C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
5adtststerones,"5a-Dihydrotestosterone sulfate",C19H29O5S,-1,370.504,370.1813948,,18665256,138026,HMDB0006278,"",5adtststerones,5adtststerones,FDB023873,18915389,"",5adtststerones,"",DBMET00574,,MNXM10347,,NaN,,,KYVPWJSGFKNNLD-ABEVXSGRSA-M,"InChI=1S/C19H30O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12,14-17H,3-11H2,1-2H3,(H,21,22,23)/p-1/t12-,14-,15-,16-,17-,18-,19-/m0/s1",[H]C([H])([H])[C@]12C([H])([H])C([H])([H])[C@@]3([H])[C@@]([H])(C([H])([H])C([H])([H])[C@@]4([H])C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]34C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]2([H])OS([O-])(=O)=O
5aizc,"5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate",C9H11N3O9P,-3,339.1959,339.0467656,C04751,165388,28413,HMDB0006273,"",5aizc,5aizc,FDB023871,144983,"PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE",5aizc,"5%27-Phosphoribosyl-4-carboxy-5-aminoimidazole",,cpd02893,MNXM507,,NaN,6001-14-5,,XFVULMDJZXYMSG-ZIYNGMLESA-K,"InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/p-3/t3-,5-,6-,8-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC(C([O-])=O)=C1N([H])[H]
5aop,"5-Aminolevulinic acid",C5H9NO3,0,131.1299,131.0582432,C00430,137,17549,HMDB0001149,"",5aop,5aop,FDB022452,134,"5-AMINO-LEVULINATE",5aop,"5-Aminolevulinic acid",,cpd00338,MNXM405,C00007378,6037,106-60-5,DTXSID8048490,ZGXJTSGNIOSYLO-UHFFFAOYSA-N,"InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)",[H][N+]([H])([H])C([H])([H])C(=O)C([H])([H])C([H])([H])C([O-])=O
5apentam,"5-Aminopentanamide",C5H13N2O,1,0,0,,NaN,NaN,HMDB0012176,"",,,,NaN,"",5apentam,"",,cpd00729,MNXM2090,,NaN,,,,"",
5aprbu,"5-Amino-6-(5-phosphoribitylamino)uracil",C9H15N4O9P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",5aprbu,"",,cpd02720,MNXM1178,,NaN,,,,"",
5apru,"5-Amino-6-(5-phosphoribosylamino)uracil",C9H13N4O9P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",5apru,"",,cpd00931,MNXM1532,,NaN,,,,"",
5aptn,"5-Aminopentanoic acid",C5H11NO2,0,117.1463,117.0789786,C00431,138,15887,HMDB0003355,"",,,FDB023151,135,"5-AMINOPENTANOATE",5aptn,"",,cpd00339,MNXM792,,6902,660-88-8,DTXSID70216212,JJMDCOVWQOJGCB-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)",
5c2o3ed,"5-Carboxy-2-oxohept-3-enedioate",C8H5O7,-3,0,0,C04052,6753,15924,,"",,,,NaN,"",5c2o3ed,"",,cpd02507,MNXM1163,,63510,,,,"InChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)",
5cm2hmu,"5-Carboxymethyl-2-hydroxymuconate",C8H5O7,-3,0,0,,NaN,2040,,"",,,,NaN,"",5cm2hmu,"",,cpd02572,MNXM1163,,NaN,,,,"InChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,9H,3H2,(H,10,11)(H,12,13)(H,14,15)/b4-1-,5-2+",
5cmhmsa,"5-Carboxymethyl-2-hydroxymuconate semialdehyde",C8H6O6,-2,0,0,C04642,7231,17142,,"",,,,NaN,"",5cmhmsa,"",,cpd02828,MNXM1628,,NaN,,,,"InChI=1S/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)/b5-1-,6-2-",
5cysdopa,"5-S-Cysteinyldopamine",C11H17N2O4S,1,272.3207397,272.0830782,,NaN,NaN,,"",,5cysdopa,,NaN,"",,"",,,,,NaN,99558-89-1,DTXSID70244131,BZYHBWCVRKSWDB-ZETCQYMHSA-O,"InChI=1S/C11H16N2O4S/c12-2-1-6-3-8(14)10(15)9(4-6)18-5-7(13)11(16)17/h3-4,7,14-15H,1-2,5,12-13H2,(H,16,17)/p+1/t7-/m0/s1",[H]OC1=C(O[H])C(SC([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])=C([H])C(=C1[H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
5cysgly34dhphe,"5-S-Cysteinylglycine Dopa",C14H19N3O7S,0,0,0,,NaN,NaN,,"",,5cysgly34dhphe,,NaN,"",,"",,,,,NaN,,,BEKGUNWQTPPXTG-JAMMHHFISA-N,"InChI=1S/C14H19N3O7S/c15-7(14(23)24)1-6-2-9(18)12(21)10(3-6)25-5-8(16)13(22)17-4-11(19)20/h2-3,7-8,18,21H,1,4-5,15-16H2,(H,17,22)(H,19,20)(H,23,24)/t7-,8?/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)C([H])(N([H])[H])C([H])([H])SC1=C(O[H])C(O[H])=C([H])C(=C1[H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H]
5dgclur,"5-Deoxy glucuronic acid",C6H9O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd16540,,,NaN,,,,"",
5dglcn,"5-Dehydro-D-gluconate",C6H9O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",5dglcn,"",,cpd00781,MNXM963,,NaN,,,,"",
5dh4dglc,"5-Dehydro-4-deoxy-D-glucarate",C6H6O7,-2,0,0,,NaN,NaN,,"",,,,NaN,"",5dh4dglc,"",,cpd00515,MNXM854,,NaN,,,,"",
5dhf,"Pentaglutamyl Folate (Dhf)",C39H43N11O18,-6,0,0,,73374,NaN,,"",5dhf,5dhf,,NaN,"",5dhf,"",,,MNXM4080,,NaN,,,CTJXQGDEZPVUGK-GKBRVULUSA-H,"InChI=1S/C39H49N11O18/c40-20(33(59)60)5-9-24(51)19(13-27(54)55)39(25(52)10-6-21(41)34(61)62,37(67)68-28(56)12-8-23(43)36(65)66)50(26(53)11-7-22(42)35(63)64)32(58)16-1-3-17(4-2-16)45-14-18-15-46-30-29(47-18)31(57)49-38(44)48-30/h1-4,19-23,45H,5-15,40-43H2,(H,54,55)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H4,44,46,48,49,57)/p-6/t19?,20?,21?,22?,23?,39-/m0/s1",[H][N-]C1=NC2=C(N=C(C([H])([H])N([H])C3=C([H])C([H])=C(C([H])=C3[H])C(=O)N(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)[C@](C(=O)OC(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C([H])(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])N2[H])C(O[H])=N1
5dpmev,"(S)-5-Diphosphomevalonic acid",C6H10O10P2,-4,308.1169,308.0062197,C01143,439418,15899,HMDB0001090,"",5dpmev,5dpmev,FDB022420,388531,"CPD-641",5dpmev,"5-Diphosphomevalonic acid",,cpd00841,MNXM689,,5997,1492-08-6,,SIGQQUBJQXSAMW-ZCFIWIBFSA-J,"InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/p-4/t6-/m1/s1",[H]O[C@@](C([H])([H])[H])(C([H])([H])C([O-])=O)C([H])([H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O
5drib,"5-deoxyribose",C5H10O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",5drib,"",,,MNXM4391,,NaN,,,,"",
5eipenc,"5,8,11,14,17-Eicosapentenoic Acid",C20H29O2,-1,0,0,,NaN,NaN,,"",,5eipenc,,NaN,"",,"",,,,,NaN,,,PWUCSTGNRWELJL-LRKAYDMASA-M,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h5-6,8-9,11-12,14-15,17-18H,2-4,7,10,13,16,19H2,1H3,(H,21,22)/p-1/b6-5+,9-8+,12-11+,15-14+,18-17+",[H]\C(=C(\[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([O-])=O
5eipencoa,"5,8,11,14,17-Eicosapentenoyl Coenzyme A",C41H60N7O17P3S,-4,0,0,,NaN,NaN,,"",5eipencoa,5eipencoa,,NaN,"",,"",,,,,NaN,,,JWZLRYCDDXHXDL-LCMHIRPZSA-J,"InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4,7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
5forthf,"5-Formiminotetrahydrofolic acid",C20H22N8O6,-2,472.4546,472.1818805,C00664,530,15639,HMDB0001534,"",5forthf,5forthf,FDB022676,11267158,"5-FORMIMINO-THF",5forthf,"5-formiminotetrahydrofolate",,cpd00502,MNXM915,,6305,2311-81-1,,YCWUVLPMLLBDCU-ZVBGSRNCSA-L,"InChI=1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/p-2/b21-9+",[H]OC1=NC(=NC2=C1N(C([H])=N[H])C([H])(C([H])([H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])C([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])N2[H])N([H])[H]
5fth4mpt,"N(5)-formyl-5,6,7,8-tetrahydromethanopterin",C31H42N6O17P,-3,0,0,C01274,4493,58018,,"",,,,NaN,"",,"",,cpd00936,,,63296,,,,"InChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/p-3/t13-,14+,17+,18-,19+,20-,22?,24+,25-,26-,30+/m1/s1",
5fthf,"Folinic acid",C20H21N7O7,-2,473.4393,473.1658961,C03479,143,209153,HMDB0001562,"",5fthf,5fthf,FDB022689,140,"5-FORMYL-THF",5fthf,"folinate",,cpd02197,MNXM1392,,6323,58-05-9,DTXSID0048216,VVIAGPKUTFNRDU-UHFFFAOYSA-L,"InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/p-2",[H]OC1=NC(=NC2=C1N(C([H])=O)C([H])(C([H])([H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])C([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])N2[H])N([H])[H]
5g2oxpt,"2-Oxoarginine",C6H11N3O3,0,173.1698,173.0800412,C03771,558,58489,HMDB0004225,"",,5g2oxpt,FDB023338,542,"CPD-824",5g2oxpt,"",,,MNXM1037,,7030,,DTXSID00190632,ARBHXJXXVVHMET-UHFFFAOYSA-N,"InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)",[H]N([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([O-])=O)=[N+]([H])[H]
5h2pentcoa,"5-Hydroxy-2-pentenoyl-CoA",C26H38N7O18P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
5homeprazole,"5-Hydroxy Omeprazole",C17H19N3O4S,0,0,0,,NaN,NaN,,"",5homeprazole,5homeprazole,,NaN,"",5homeprazole,"",,,MNXM10267,,NaN,,,CMZHQFXXAAIBKE-UHFFFAOYSA-N,"InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)",[H]OC([H])([H])C1=C(OC([H])([H])[H])C(=C(N=C1[H])C([H])([H])S(=O)C1=NC2=C([H])C(OC([H])([H])[H])=C([H])C([H])=C2N1[H])C([H])([H])[H]
5hoxindact,"5-Hydroxyindoleacetaldehyde",C10H9NO2,0,175.184,175.0633285,C05634,74688,50157,HMDB0004073,"(5-hydroxyindol-3-yl)acetaldehyde",5hoxindact,5hoxindact,FDB023299,67261,"5-HYDROXYINDOLE_ACETALDEHYDE",5hoxindact,"",DBMET00564,,MNXM1057,,NaN,1892-21-3,DTXSID60172318,OBFAPCIUSYHFIE-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2",[H]OC1=C([H])C([H])=C2N([H])C([H])=C(C2=C1[H])C([H])([H])C([H])=O
5hoxindoa,"5-Hydroxyindoleacetic acid",C10H8NO3,-1,191.1834,191.0582432,C05635,1826,27823,HMDB0000763,"",5hoxindoa,5hoxindoa,FDB001403,1760,"5-HYDROXYINDOLE_ACETATE",5hoxindoa,"5-Hydroxyindoleacetic acid",,,MNXM90519,C00000104,2975,54-16-0,,DUUGKQCEGZLZNO-UHFFFAOYSA-M,"InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)/p-1",[H]OC1=C([H])C([H])=C2N([H])C([H])=C(C2=C1[H])C([H])([H])C([O-])=O
5hoxnfkyn,"5-Hydroxy-N-formylkynurenine",C11H12N2O5,0,252.2234,252.0746215,C05648,440744,2065,HMDB0004086,"",5hoxnfkyn,,FDB023307,389615,"",5hoxnfkyn,"",,,MNXM166597,,NaN,,,LSTOUSIIVKMJBU-UHFFFAOYSA-N,"InChI=1S/C11H12N2O5/c12-8(11(17)18)4-10(16)7-3-6(15)1-2-9(7)13-5-14/h1-3,5,8,15H,4,12H2,(H,13,14)(H,17,18)",[H]OC1=C([H])C([H])=C(N([H])C([H])=O)C(=C1[H])C(=O)C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H]
5HPET,"5(S)-Hydroperoxyeicosatetraenoic acid",C20H31O4,-1,336.4657,336.2300595,C05356,5280778,15632,HMDB0001193,"",5HPET,5HPET,FDB022480,4444340,"6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6",5HPET,"",,cpd03176,MNXM163693,,6070,71774-08-8,,JNUUNUQHXIOFDA-DHORPKIASA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-,16-14?/t19-/m1/s1",[H]OO[C@]([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
5htrp,"5-Hydroxy-L-tryptophan",C11H12N2O3,0,220.2246,220.0847923,C01017,144,28171,HMDB0000472,"",5htrp,5htrp,FDB006231,141,"5-HYDROXY-TRYPTOPHAN",5htrp,"5-HTP",,cpd00490,MNXM162909,C00001371,NaN,,DTXSID1025437,LDCYZAJDBXYCGN-UHFFFAOYSA-N,"InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)",[H]OC1=C([H])C([H])=C2N([H])C([H])=C(C2=C1[H])C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H]
5hval,"5-Hydroxyvalerate,5-Hydroxypentanoate",C5H9O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
5hvalcoa,"5-Hydroxyvaleryl-CoA,5-Hydroxypentanoyl-CoA",C26H40N7O18P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
5hxkyn,"5-Hydroxykynurenine",C10H12N2O4,0,224.2133,224.0797069,C05651,440745,2076,HMDB0012819,"",,,,389616,"",5hxkyn,"",,cpd03362,MNXM166598,,NaN,720-00-3,,OTDQYOVYQQZAJL-UHFFFAOYSA-N,"InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)",[H]OC1=C([H])C([H])=C(N([H])[H])C(=C1[H])C(=O)C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H]
5hxkynam,"5-Hydroxykynurenamine",C9H13N2O2,1,180.2038,180.0898776,C05638,164719,28715,HMDB0004076,"",,,FDB023300,144400,"",5hxkynam,"",,cpd03349,MNXM3508,,NaN,708-23-6,DTXSID80221059,JANBBPTXDKFOQR-UHFFFAOYSA-O,"InChI=1S/C9H12N2O2/c10-4-3-9(13)7-5-6(12)1-2-8(7)11/h1-2,5,12H,3-4,10-11H2/p+1",[H]OC1=C([H])C(C(=O)C([H])([H])C([H])([H])[N+]([H])([H])[H])=C(N([H])[H])C([H])=C1[H]
5hxudidzcba,"5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate",C5H5N4O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd09027,,,NaN,,,,"",
5m3hhexACP,"5-methyl-3-hydroxy-hexanoyl-ACP",C18H33N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11522,,,NaN,,,,"",
5m3ohexACP,"5-methyl-3-oxo-hexanoyl-ACP",C18H31N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11521,,,NaN,,,,"",
5mdr1p,"5-Methylthioribose 1-phosphate",C6H11O7PS,-2,260.202,260.01196,C04188,53477720,27859,HMDB0000963,"",5mdr1p,5mdr1p,FDB022341,NaN,"CPD-444",5mdr1p,"",,cpd02574,MNXM407,,5909,72843-83-5,,JTFITTQBRJDSTL-KVTDHHQDSA-L,"InChI=1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/p-2/t3-,4-,5-,6-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(OP([O-])([O-])=O)O[C@]([H])(C([H])([H])SC([H])([H])[H])[C@@]1([H])O[H]
5mdru1p,"5-Methylthioribulose 1-phosphate",C6H11O7PS,-2,260.202,260.01196,C04582,174549,28096,HMDB0001299,"",5mdru1p,5mdru1p,FDB022541,152225,"CPD-1063",5mdru1p,"",,cpd02791,MNXM522,,6143,86316-83-8,,CNSJRYUMVMWNMC-RITPCOANSA-L,"InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/p-2/t5-,6+/m1/s1",[H]O[C@@]([H])(C(=O)C([H])([H])OP([O-])([O-])=O)[C@]([H])(O[H])C([H])([H])SC([H])([H])[H]
5mhexACP,"5-methyl-hexanoyl-ACP",C18H33N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11524,,,NaN,,,,"",
5moxact,"5-Methoxyindoleacetate",C11H10NO3,-1,205.2099,205.0738932,C05660,18986,235589,HMDB0004096,"",5moxact,,FDB023312,17924,"",5moxact,"",,,MNXM38195,C00051985,7016,608-07-1,DTXSID60209638,COCNDHOPIHDTHK-UHFFFAOYSA-M,"InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)/p-1",[H]N1C([H])=C(C2=C([H])C(OC([H])([H])[H])=C([H])C([H])=C12)C([H])([H])C([O-])=O
5mta,"5'-Methylthioadenosine",C11H15N5O3S,0,297.334,297.0895601,C00170,439176,17509,HMDB0001173,"",5mta,5mta,FDB022465,388321,"5-METHYLTHIOADENOSINE",5mta,"Adenylthiomethylpentose",,cpd00147,MNXM150,,3425,2457-80-9,DTXSID20179308,WUUGFSXJNOTRMR-IOSLPCCCSA-N,"InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])SC([H])([H])[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
5mtc,"5-Methylcytosine",C5H7N3O,0,0,0,,NaN,NaN,HMDB0002894,"",,,,NaN,"",,"",,cpd01587,,,NaN,,,,"",
5mthex2eACP,"5-methyl-trans-hex-2-enoyl-ACP",C18H31N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11523,,,NaN,,,,"",
5mthf,"5-Methyltetrahydrofolic acid",C20H24N7O6,-1,459.4558,459.1866316,C00440,439234,15641,HMDB0001396,"",5mthf,5mthf,FDB022600,388371,"5-METHYL-THF",5mthf,"5-Methyltetrahydrofolate",DBMET00528,cpd00345,MNXM318,C00007252,6215,134-35-0,DTXSID4048278,ZNOVTXRBGFNYRX-ABLWVSNPSA-M,"InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/p-1/t12?,13-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2([H])N(C3=C(N=C(N=C3O[H])N([H])[H])N([H])C2([H])[H])C([H])([H])[H])C([H])=C1[H])C([O-])=O
5mthglu,"5_Methyltetrahydropteroyltri_L_glutamate",C25H34N8O12,0,0,0,,NaN,NaN,,"",,,,NaN,"",5mthglu,"",,cpd02738,MNXM2623,,NaN,,,,"",
5mtr,"5-Methylthio-D-ribose",C6H12O4S,0,0,0,,NaN,NaN,,"",,,,NaN,"",5mtr,"",,cpd01981,MNXM1592,,NaN,,,,"",
5odhf2a,"5-Oxo-4,5-dihydrofuran-2-acetate",C6H5O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",5odhf2a,"",,cpd02255,MNXM829,,NaN,,,,"",
5ohfvs,"5-Hydroxy-Fluvastatin",C24H25FNNaO5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
5ohfvsglu,"5-Hydroxy-Fluvastatin-Glucuronide",C30H32FNNaO11,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
5ohhexa,"5-Hydroxyhexanoic Acid",C6H11O3,-1,0,0,,NaN,NaN,,"",,5ohhexa,,NaN,"",,"",,,,,NaN,,,YDCRNMJQROAWFT-UHFFFAOYSA-M,"InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/p-1",[H]OC([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
5oxpro,"Pyroglutamic acid",C5H6NO3,-1,129.114,129.0425931,C01879,7405,18183,HMDB0000267,"",5oxpro,5oxpro,FDB014506,7127,"CPD-589",5oxpro,"Pyroglutamic acid",,cpd01293,MNXM964,C00007403,3251,98-79-3,DTXSID6046260,ODHCTXKNWHHXJC-VKHMYHEASA-M,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1/t3-/m0/s1",[H]N1C(=O)C([H])([H])C([H])([H])[C@@]1([H])C([O-])=O
5pmev,"Mevalonic acid-5P",C6H10O7P,-3,228.137,228.0398893,C01107,439400,17436,HMDB0001343,"",5pmev,5pmev,FDB022566,388517,"CPD-499",5pmev,"5-phosphomevalonate",,cpd00812,MNXM567,,6177,73566-35-5,,OKZYCXHTTZZYSK-ZCFIWIBFSA-K,"InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/p-3/t6-/m1/s1",[H]O[C@@](C([H])([H])[H])(C([H])([H])C([O-])=O)C([H])([H])C([H])([H])OP([O-])([O-])=O
5prdmbz,"N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole",C14H17N2O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",5prdmbz,"",,cpd02904,MNXM1224,,NaN,,,,"",
5tedtricoa,"5,8,11-Tetradecatrienoyl Coenzyme A",C35H52N7O17P3S,-4,0,0,,NaN,NaN,,"",5tedtricoa,5tedtricoa,,NaN,"",,"",,,,,NaN,,,GCYTYHFHNKAQNO-IHPJTWNPSA-J,"InChI=1S/C35H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h5-6,8-9,11-12,22-24,28-30,34,45-46H,4,7,10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b6-5-,9-8-,12-11-/t24-,28+,29+,30?,34-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
5thf,"Pentaglutamyl Folate (Thf)",C39H45N11O18,-6,0,0,,NaN,NaN,,"",5thf,5thf,,NaN,"",5thf,"",,,MNXM3687,,NaN,,,QSLXQTFZZNUUPV-WYJPSZIUSA-H,"InChI=1S/C39H51N11O18/c40-20(33(59)60)5-9-24(51)19(13-27(54)55)39(25(52)10-6-21(41)34(61)62,37(67)68-28(56)12-8-23(43)36(65)66)50(26(53)11-7-22(42)35(63)64)32(58)16-1-3-17(4-2-16)45-14-18-15-46-30-29(47-18)31(57)49-38(44)48-30/h1-4,18-23,47H,5-15,40-43H2,(H10,44,45,46,48,49,54,55,57,58,59,60,61,62,63,64,65,66)/p-6/t18?,19?,20?,21?,22?,23?,39-/m0/s1",[H][N-]C1=NC2=C(N([H])C([H])(C([H])([H])N([H])C3=C([H])C([H])=C(C([H])=C3[H])C(=O)N(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)[C@](C(=O)OC(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C([H])(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])N2[H])C(O[H])=N1
6a2ohxnt,"2-Keto-6-aminocaproate",C6H11NO3,0,145.1564,145.0738932,C03239,439954,17534,HMDB0012151,"",6a2ohxnt,6a2ohxnt,FDB028808,388981,"2-KETO-6-AMINO-CAPROATE",6a2ohxnt,"",,cpd02074,MNXM916,,NaN,,,GWENQMVPLJAMAE-UHFFFAOYSA-N,"InChI=1S/C6H11NO3/c7-4-2-1-3-5(8)6(9)10/h1-4,7H2,(H,9,10)",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([O-])=O
6adxft,"6-Amino-6-deoxyfutalosine",C19H19N5O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6ahglz,"6-Alpha-OH-Gliclazide",C15H20N3O4S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6bhglz,"6-Beta-OH-Gliclazide",C15H20N3O4S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6bhglzglc,"6-Beta-OH-Gliclazide-Glucuronide",C21H27N3O10S,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6csmv,"6'-Beta-Carboxy-Simvastatin (Lactone Form)",C25H35O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6csmvacid,"6'-Beta-Carboxy-Simvastatin (Acid Form)",C25H36O8,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6dhf,"Hexaglutamyl Folate (Dhf)",C44H49N12O21,-7,0,0,,169691,NaN,,"",6dhf,6dhf,,NaN,"",6dhf,"",,,MNXM3615,,NaN,,,KFFKTBMOFSDZOP-UBGKPRCSSA-G,"InChI=1S/C44H56N12O21/c45-21(36(66)67)5-10-26(57)43(15-30(61)62,27(58)11-6-22(46)37(68)69)44(28(59)12-7-23(47)38(70)71,41(76)77-31(63)14-9-25(49)40(74)75)56(29(60)13-8-24(48)39(72)73)35(65)18-1-3-19(4-2-18)51-16-20-17-52-33-32(53-20)34(64)55-42(50)54-33/h1-4,21-25,51H,5-17,45-49H2,(H,61,62)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H4,50,52,54,55,64)/p-7/t21?,22?,23?,24?,25?,43?,44-/m0/s1",[H]N([H])C1=NC2=C(N=C(C([H])([H])N([H])C3=C([H])C([H])=C(C([H])=C3[H])C(=O)N(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)[C@@](C(=O)OC(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])N2[H])C([O-])=N1
6epvs,"6-Epipravastatin",C23H35NaO7,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6hddopaqn,"6-Hydroxydopamine-Quinone",C8H10NO3,0,0,0,,NaN,NaN,,"",,6hddopaqn,,NaN,"",,"",,,,,NaN,,,FAYDNJHGIIVTPJ-UHFFFAOYSA-N,"InChI=1S/C9H11NO2/c1-6-4-9(12)7(2-3-10)5-8(6)11/h4-5H,2-3,10H2,1H3",[H]N([H])C([H])([H])C([H])([H])C1=C([H])C(=O)C(=C([H])C1=O)C([H])([H])[H]
6hlvst,"6'-Beta-Hydroxy-Lovastatin (Lactone Form)",C24H36O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6hlvstacid,"6'-Beta-Hydroxy-Lovastatin (Acid Form)",C24H37O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6hmhpt,"6-hydroxymethyl dihydropterin",C7H9N5O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",6hmhpt,"",,cpd00954,MNXM937,,NaN,,,,"",
6hmhptpp,"6-hydroxymethyl-dihydropterin pyrophosphate",C7H8N5O8P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",6hmhptpp,"",,cpd02920,MNXM1160,,NaN,,,,"",
6hmsmv,"6'-Beta-Hydroxy-Methyl-Simvastatin (Lactone Form)",C25H38O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6hmsmvacid,"6'-Beta-Hydroxy-Methyl-Simvastatin (Acid Form)",C25H39O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6hoxmelatn,"6-Hydroxymelatonin",C13H16N2O3,0,248.2777,248.1160924,C05643,1864,308079,HMDB0004081,"",6hoxmelatn,6hoxmelatn,FDB023304,1794,"CPD-12014",6hoxmelatn,"6-Hydroxymelatonin",DBMET00258,,MNXM164382,,7013,2208-41-5,DTXSID00176577,OMYMRCXOJJZYKE-UHFFFAOYSA-N,"InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)",[H]OC1=C(OC([H])([H])[H])C([H])=C2C(N([H])C([H])=C2C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H])=C1[H]
6hsmv,"6'-Beta-Hydroxy Simvastatin (Lactone Form)",C25H38O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6hsmvacid,"6'-Beta-Hydroxy Simvastatin (Acid Form)",C25H39O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6htststerone,"6beta-Hydroxytestosterone",C19H28O3,0,304.4238,304.2038448,C14497,65543,34477,HMDB0006259,"",6htststerone,6htststerone,FDB023864,58987,"",6htststerone,"",DBMET00392,,MNXM163219,,NaN,62-99-7,,XSEGWEUVSZRCBC-ZVBLRVHNSA-N,"InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])[C@@]([H])(O[H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
6m3hheptACP,"6-methyl-3-hydroxy-heptanoyl-ACP",C19H35N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11551,,,NaN,,,,"",
6m3hocACP,"6-methyl-3-hydroxy-octanoyl-ACP",C20H37N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11501,,,NaN,,,,"",
6m3oheptACP,"6-methyl-3-oxo-heptanoyl-ACP",C19H33N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11550,,,NaN,,,,"",
6m3oocACP,"6-methyl-3-oxo-octanoyl-ACP",C20H35N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11500,,,NaN,,,,"",
6melvacid,"6'-Exomethylene-Lovastatin (Acid Form)",C24H35O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6melvst,"6'-Exomethylene-Lovastatin (Lactone Form)",C24H34O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6mheptACP,"6-methyl-heptanoyl-ACP",C19H35N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11553,,,NaN,,,,"",
6mocACP,"6-methyl-octanoyl-ACP",C20H37N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11503,,,NaN,,,,"",
6msmv,"6'-Exomethylene-Simvastatin (Lactone Form)",C25H36O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6mthept2eACP,"6-methyl-trans-hept-2-enoyl-ACP",C19H33N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11552,,,NaN,,,,"",
6mtoct2eACP,"6-methyl-trans-oct-2-enoyl-ACP",C20H35N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11502,,,NaN,,,,"",
6ohfvs,"6-Hydroxy-Fluvastatin",C24H25FNNaO5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6ohfvsglu,"6-Hydroxy-Fluvastatin-Glucuronide",C30H32FNNaO11,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
6pgc,"6-Phosphogluconic acid",C6H10O10P,-3,276.1352,276.0246331,C00345,91493,48928,HMDB0001316,"6-Phosphogluconate",6pgc,6pgc,FDB022550,82615,"CPD-2961",6pgc,"6-phosphogluconate",,cpd00284,MNXM325,,367,921-62-0,DTXSID00872623,BIRSGZKFKXLSJQ-SQOUGZDYSA-K,"InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/p-3/t2-,3-,4+,5-/m1/s1",[H]O[C@@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])OP([O-])([O-])=O
6pgg,"6-Phospho-beta-D-glucosyl-(1,4)-D-glucose",C12H21O14P,-2,0,0,C04534,NaN,NaN,,"",,,,NaN,"",6pgg,"",,cpd02760,MNXM147389,,NaN,,,,"",
6pgl,"6-Phosphonoglucono-D-lactone",C6H9O9P,-2,258.1199,258.0140685,C01236,439452,16938,HMDB0001127,"6-O-phosphono-D-glucono-1,5-lactone",6pgl,6pgl,FDB022440,388559,"D-6-P-GLUCONO-DELTA-LACTONE",6pgl,"6-phosphogluconolactone",,cpd00911,MNXM429,C00019542,6022,2641-81-8,,IJOJIVNDFQSGAB-SQOUGZDYSA-L,"InChI=1S/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5-/m1/s1",[H]O[C@@]1([H])C(=O)O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]1([H])O[H]
6pthp,"Dyspropterin",C9H11N5O3,0,237.2153,237.0861892,C03684,128973,17804,HMDB0001195,"PTHP",6pthp,6pthp,FDB022481,114280,"6-PYRUVOYL-5678-TETRAHYDROPTERIN",6pthp,"Dyspropterin",,cpd02315,MNXM467,,6071,89687-39-8,,WBJZXBUVECZHCE-UHFFFAOYSA-N,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17)",[H]N([H])C1=NC2=C(N([H])C([H])(C(=O)C(=O)C([H])([H])[H])C([H])([H])N2[H])C(=O)N1[H]
6thf,"Hexaglutamyl Folate (Thf)",C44H51N12O21,-7,0,0,,169691,NaN,,"",6thf,6thf,,NaN,"",6thf,"",,,MNXM3616,,NaN,,,PNBHGQKMKIQODR-RQDOUQPLSA-G,"InChI=1S/C44H58N12O21/c45-21(36(66)67)5-10-26(57)43(15-30(61)62,27(58)11-6-22(46)37(68)69)44(28(59)12-7-23(47)38(70)71,41(76)77-31(63)14-9-25(49)40(74)75)56(29(60)13-8-24(48)39(72)73)35(65)18-1-3-19(4-2-18)51-16-20-17-52-33-32(53-20)34(64)55-42(50)54-33/h1-4,20-25,53H,5-17,45-49H2,(H11,50,51,52,54,55,61,62,64,65,66,67,68,69,70,71,72,73,74,75)/p-7/t20?,21?,22?,23?,24?,25?,43?,44-/m0/s1",[H]N([H])C1=NC2=C(N([H])C([H])(C([H])([H])N([H])C3=C([H])C([H])=C(C([H])=C3[H])C(=O)N(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)[C@@](C(=O)OC(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])N2[H])C([O-])=N1
7ahglz,"7-Alpha-OH-Gliclazide",C15H20N3O4S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
7bhglz,"7-Beta-OH-Gliclazide",C15H20N3O4S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
7bhglzglc,"7-Beta-OH-Gliclazide-Glucuronide",C21H27N3O10S,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
7dhcdchol,"7-Dehydrochenodeoxycholic acid; 7oxo-3alpha-hydroxy-5beta-cholan-24-oic acid",C24H37O4,-1,0,0,,NaN,NaN,,"",,7dhcdchol,,NaN,"",,"",,,,,NaN,,,,"",
7dhchol,"7-Dehydrocholic acid; 7-Oxodeoxycholic acid; 7oxo-3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid",C24H37O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
7dhchsterol,"7-Dehydrocholesterol",C27H44O,0,384.6377,384.339216,C01164,439423,17759,HMDB0000032,"",7dhchsterol,7dhchsterol,FDB021882,388534,"7-DEHYDRO-CHOLESTEROL",7dhchsterol,"7-Dehydrocholesterol",,,MNXM162639,C00023747,5101,434-16-2,DTXSID20861933,UCTLRSWJYQTBFZ-DDPQNLDTSA-N,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])=C3[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
7dhf,"Heptaglutamyl folic acid",C49H55N13O24,-8,1345.1953,1344.437833,,53477856,89846,HMDB0006559,"",7dhf,7dhf,FDB023971,NaN,"",7dhf,"",,,MNXM5779,,NaN,,,UDDQBNDBOUHLSR-INCUNFMESA-G,"InChI=1S/C49H62N13O24/c50-22(39(71)72)5-11-28(63)34(45(83)84)48(29(64)12-6-23(51)40(73)74,30(65)13-7-24(52)41(75)76)49(31(66)14-8-25(53)42(77)78,46(85)86-33(68)16-10-27(55)44(81)82)62(32(67)15-9-26(54)43(79)80)38(70)19-1-3-20(4-2-19)57-17-21-18-58-36-35(59-21)37(69)61-47(56)60-36/h1-4,22-27H,5-18,50-55H2,(H12,56,57,58,60,61,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84)/q-1/p-7/t22?,23?,24?,25?,26?,27?,48?,49-/m0/s1",[H]N([H])C1=NC2=C(N=C(C([H])([H])N([H])C3=C([H])C([H])=C(C([H])=C3[H])C(=O)N(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)[C@@](C(=O)OC(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C([H])(C([O-])=O)C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C([H])([H])N2[H])C([O-])=N1
7hpvs,"7-Hydroxy-3-Alpha-Iso-Pravastatin",C23H35NaO8,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
7klitchol,"7-Ketolithocholate",C24H37O4,-1,0,0,,NaN,NaN,,"",,7klitchol,,NaN,"",,"",,,,,NaN,,,DXOCDBGWDZAYRQ-QKBWFQMQSA-M,"InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15?,16+,17?,18?,19?,22?,23-,24+/m0/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])(C([H])([H])C(=O)C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C23[H])C1([H])[H]
7m3hocACP,"7-methyl-3-hydroxy-octanoyl-ACP",C20H37N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11526,,,NaN,,,,"",
7m3oocACP,"7-methyl-3-oxo-octanoyl-ACP",C20H35N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11525,,,NaN,,,,"",
7mocACP,"7-methyl-octanoyl-ACP",C20H37N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11528,,,NaN,,,,"",
7mtoct2eACP,"7-methyl-trans-oct-2-enoyl-ACP",C20H35N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11527,,,NaN,,,,"",
7ocholate,"3alpha,12alpha-Dihydroxy-7-oxo-5beta-Cholanate",C24H37O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
7ohocata,"7-Hydroxy-Octanoate",C8H15O3,-1,0,0,,NaN,NaN,,"",,7ohocata,,NaN,"",,"",,,,,NaN,,,OFCMTSZRXXFMBQ-UHFFFAOYSA-M,"InChI=1S/C8H16O3/c1-7(9)5-3-2-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/p-1",[H]OC([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
7thf,"Heptaglutamyl Folate (Thf)",C49H57N13O24,-8,0,0,,NaN,NaN,,"",7thf,7thf,,NaN,"",7thf,"",,,MNXM5780,,NaN,,,OBQHXHLCLOCHBW-VAEQKALQSA-G,"InChI=1S/C49H64N13O24/c50-22(39(71)72)5-11-28(63)34(45(83)84)48(29(64)12-6-23(51)40(73)74,30(65)13-7-24(52)41(75)76)49(31(66)14-8-25(53)42(77)78,46(85)86-33(68)16-10-27(55)44(81)82)62(32(67)15-9-26(54)43(79)80)38(70)19-1-3-20(4-2-19)57-17-21-18-58-36-35(59-21)37(69)61-47(56)60-36/h1-4,21-27,59H,5-18,50-55H2,(H12,56,57,58,60,61,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84)/q-1/p-7/t21?,22?,23?,24?,25?,26?,27?,48?,49-/m0/s1",[H]N([H])C1=NC2=C(N([H])C([H])(C([H])([H])N([H])C3=C([H])C([H])=C(C([H])=C3[H])C(=O)N(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)[C@@](C(=O)OC(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)(C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C([H])(C([O-])=O)C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C([O-])=O)C([H])([H])N2[H])C([O-])=N1
8aonn,"8-Amino-7-oxononanoate",C9H17NO3,0,0,0,,NaN,NaN,,"",,,,NaN,"",8aonn,"",,cpd00800,MNXM1141,,NaN,,,,"",
8m3hdcaACP,"8-methyl-3-hydroxy-decanoyl-ACP",C22H41N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11505,,,NaN,,,,"",
8m3hnonACP,"8-methyl-3-hydroxy-nonanoyl-ACP",C21H39N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11555,,,NaN,,,,"",
8m3odcaACP,"8-methyl-3-oxo-decanoyl-ACP",C22H39N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11504,,,NaN,,,,"",
8m3ononACP,"8-methyl-3-oxo-nonanoyl-ACP",C21H37N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11554,,,NaN,,,,"",
8mdcaACP,"8-methyl-decanoyl-ACP",C22H41N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11507,,,NaN,,,,"",
8mnonACP,"8-methyl-nonanoyl-ACP",C21H39N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11557,,,NaN,,,,"",
8mtdec2eACP,"8-methyl-trans-dec-2-enoyl-ACP",C22H39N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11506,,,NaN,,,,"",
8mtnon2eACP,"8-methyl-trans-non-2-enoyl-ACP",C21H37N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11556,,,NaN,,,,"",
9_cis_retfa,"Fatty Acid 9-Cis-Retinol",C20H29OFULLR2CO,0,0,0,,NaN,NaN,,"",9_cis_retfa,9_cis_retfa,,NaN,"",9_cis_retfa,"",,,MNXM146565,,NaN,,,,"",
9m3hdcaACP,"9-methyl-3-hydroxy-decanoyl-ACP",C22H41N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11530,,,NaN,,,,"",
9m3odcaACP,"9-methyl-3-oxo-decanoyl-ACP",C22H39N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11529,,,NaN,,,,"",
9mdcaACP,"9-methyl-decanoyl-ACP",C22H41N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11532,,,NaN,,,,"",
9mtdec2eACP,"9-methyl-trans-dec-2-enoyl-ACP",C22H39N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11531,,,NaN,,,,"",
aa,"Acrylamide",C3H5NO,0,0,0,,NaN,NaN,HMDB0004296,"",,,,NaN,"",aa,"",,cpd01150,MNXM3208,,NaN,,,,"",
aacald,"Aminoacetaldehyde",C2H6NO,1,0,0,,NaN,NaN,,"",,,,NaN,"",aacald,"",,cpd04122,MNXM2212,,NaN,,,,"",
aacoa,"Acetoacetyl-CoA",C25H36N7O18P3S,-4,851.607,851.1363377,C00332,439214,15345,HMDB0001484,"acetoacetyl-CoA",aacoa,aacoa,FDB022648,388353,"ACETOACETYL-COA",aacoa,"Acetoacetyl-CoA",,cpd00279,MNXM133,C00007269,449,1420-36-6,,OJFDKHTZOUZBOS-CITAKDKDSA-J,"InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t14-,18-,19-,20+,24-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
aact,"Aminoacetone",C3H8NO,1,73.0938,73.05276385,C01888,215,17906,HMDB0002134,"",aact,aact,FDB022860,210,"AMINO-ACETONE",aact,"1-Amino-2-propanone",,cpd01298,MNXM1106,,6502,298-08-8,DTXSID10183939,BCDGQXUMWHRQCB-UHFFFAOYSA-O,"InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3/p+1",[H]C([H])([H])C(=O)C([H])([H])[N+]([H])([H])[H]
aadpsae,"Alpha-Aminoadipoyl-S-acyl enzyme",C6H9NO3RS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd12734,,,NaN,,,,"",
ab14lac_L,"L-Arabinono-1,4-lactone",C5H8O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd00819,,,NaN,,,,"",
ab6p3hxl,"D-arabino-6-Phospho-hex-3-ulose",C6H11O9P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd03583,,,NaN,,,,"",
abt,"L-Arabitol",C5H12O5,0,152.1458,152.0684735,C00532,439255,18403,HMDB0001851,"",abt,abt,FDB022709,388391,"L-ARABITOL",abt,"Adonitol",,cpd00417,MNXM801,,141,7643-75-6,DTXSID30884411,HEBKCHPVOIAQTA-IMJSIDKUSA-N,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1",[H]OC([H])([H])[C@]([H])(O[H])C([H])(O[H])[C@@]([H])(O[H])C([H])([H])O[H]
abt_D,"D-Arabitol",C5H12O5,0,0,0,,NaN,NaN,HMDB0000568,"",,abt_D,,NaN,"",abt__D,"",,cpd01307,MNXM1018,,NaN,,,HEBKCHPVOIAQTA-QWWZWVQMSA-N,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1",[H]OC([H])([H])[C@@]([H])(O[H])C([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H]
ac,"Acetic acid",C2H3O2,-1,60.052,60.02112937,C00033,176,15366,HMDB0000042,"",ac,ac,FDB008299,171,"ACET",ac,"Acetic acid",DB03166,cpd00029,MNXM26,C00001176,3206,64-19-7,DTXSID5024394,QTBSBXVTEAMEQO-UHFFFAOYSA-M,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1",[H]C([H])([H])C([O-])=O
acaadp,"N2-Acetyl-L-aminoadipate",C8H11NO5,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd09349,,,NaN,,,,"",
acaadpdp,"N2-Acetyl-L-aminoadipyl-delta-phosphate",C8H12NO8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd09350,,,NaN,,,,"",
acaadpsal,"N2-Acetyl-L-aminoadipate semialdehyde",C8H12NO4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd09351,,,NaN,,,,"",
acac,"Acetoacetic acid",C4H5O3,-1,102.0886,102.0316941,C00164,96,15344,HMDB0000060,"",acac,acac,FDB021801,94,"3-KETOBUTYRATE",acac,"Acetoacetic acid",DB01762,cpd00142,MNXM154,C00007458,276,541-50-4,DTXSID6040955,WDJHALXBUFZDSR-UHFFFAOYSA-M,"InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)/p-1",[H]C([H])([H])C(=O)C([H])([H])C([O-])=O
acACP,"Acetyl-ACP",C13H23N2O8PRS,-1,0,0,C03939,NaN,NaN,,"",acACP,,,NaN,"",acACP,"",,cpd11494,MNXM1269,,NaN,,,,"",[H]C([H])([H])C(=O)S[*]
acald,"Acetaldehyde",C2H4O,0,44.0526,44.02621475,C00084,177,15343,HMDB0000990,"acetaldehyde",acald,acald,FDB008297,172,"ACETALD",acald,"Acetaldehyde",DBMET00328,cpd00071,MNXM75,C00007392,3200,75-07-0,DTXSID5039224,IKHGUXGNUITLKF-UHFFFAOYSA-N,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",[H]C(=O)C([H])([H])[H]
acamoxm,"N_Acetyl_L_2_amino_6_oxopimelate",C9H11NO6,-2,0,0,,NaN,58117,,"",,,,NaN,"",acamoxm,"",,cpd03289,MNXM1872,,NaN,,,,"InChI=1S/C9H13NO6/c1-5(11)10-6(8(13)14)3-2-4-7(12)9(15)16/h6H,2-4H2,1H3,(H,10,11)(H,13,14)(H,15,16)/p-2/t6-/m0/s1",
acbdma14gapuc,"N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D- glucosaminyldiphosphoundecaprenol",C71H116N2O17P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd02967,,,NaN,,,,"",
accoa,"Acetyl-CoA",C23H34N7O17P3S,-4,809.571,809.1257731,C00024,444493,15351,HMDB0001206,"acetyl-CoA",accoa,accoa,FDB022491,392413,"ACETYL-COA",accoa,"Acetyl-CoA",,cpd00022,MNXM21,C00007259,6082,72-89-9,,ZSLZBFCDCINBPY-ZSJPKINUSA-J,"InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/p-4/t13-,16-,17-,18+,22-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
acerA,"Aceric acid (3-C-carboxy-5-deoxy-l-xylose) (rare sugar in rhamnogalacturonan II)",C6H9O6,-1,0,0,,11636912,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
acetol,"Hydroxyacetone",C3H6O2,0,74.0785,74.03677944,C05235,8299,27957,HMDB0006961,"",acetol,acetol,FDB012041,21106125,"ACETOL",acetol,"Hydroxyacetone",,,MNXM1744,C00019558,NaN,116-09-6,DTXSID8051590,XLSMFKSTNGKWQX-UHFFFAOYSA-N,"InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3",[H]OC([H])([H])C(=O)C([H])([H])[H]
acetone,"Acetone",C3H6O,0,58.0791,58.04186481,C00207,180,15347,HMDB0001659,"",acetone,acetone,FDB008301,175,"",acetone,"Acetone",,,MNXM398,C00048304,3745,67-64-1,DTXSID8021482,CSCPPACGZOOCGX-UHFFFAOYSA-N,"InChI=1S/C3H6O/c1-3(2)4/h1-2H3",[H]C([H])([H])C(=O)C([H])([H])[H]
acg5p,"N-Acetyl-L-glutamyl 5-phosphate",C7H9NO8P,-3,269.1458,269.0300529,C04133,440236,16878,HMDB0006456,"",,,FDB023917,389220,"N-ACETYL-GLUTAMYL-P",acg5p,"",,cpd02552,MNXM1384,,3396,15383-57-0,,FCVIHFVSXHOPSW-YFKPBYRVSA-K,"InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/p-3/t5-/m0/s1",[H]N(C(=O)C([H])([H])[H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C(=O)OP([O-])([O-])=O
acg5sa,"N-Acetyl-L-glutamate 5-semialdehyde",C7H10NO4,-1,173.1665,173.0688078,C01250,192878,16319,HMDB0006488,"",,,FDB023938,167387,"",acg5sa,"",,cpd00918,MNXM1062,,NaN,13074-21-0,,BCPSFKBPHHBDAI-LURJTMIESA-M,"InChI=1S/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h4,6H,2-3H2,1H3,(H,8,10)(H,11,12)/p-1/t6-/m0/s1",[H]N(C(=O)C([H])([H])[H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])=O
acgagbside_hs,"Alpha-GalNac-Globoside",C52H92N3O27FULLRCO,0,0,0,,NaN,NaN,,"",acgagbside_hs,acgagbside_hs,,NaN,"",acgagbside_hs,"",,,MNXM7051,,NaN,,,,"",
acgal,"N-Acetylgalactosamine",C8H15NO6,0,221.2078,221.0899372,C01074,84265,40356,HMDB0000212,"",acgal,acgal,FDB021906,76020,"N-ACETYL-D-GLUCOSAMINE",acgal,"N-Acetylgalactosamine",,cpd00832,MNXM395,,5222,1811-31-0,DTXSID0048711,OVRNDRQMDRJTHS-KEWYIRBNSA-N,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
acgal1p,"N-Acetyl-D-galactosamine 1-phosphate",C8H14NO9P,-2,301.1877,301.0562676,,22833661,55404,HMDB0006480,"",acgal1p,acgal1p,FDB023931,17216370,"",acgal1p,"",,,MNXM2401,,NaN,,,FZLJPEPAYPUMMR-KEWYIRBNSA-L,"InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/p-2/t4-,5-,6+,7-,8?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(OP([O-])([O-])=O)[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
acgal6p,"N-Acetyl-D-galactosamine 6-phosphate",C8H14NO9P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",acgal6p,"",,,MNXM6346,,NaN,,,,"",
acgalfuc12gal14acglcgalgluside_hs,"(Gal)2 (GalNac)1 (Glc)1 (GlcNac)1 (LFuc)1 (Cer)1",C58H102N3O31FULLRCO,0,0,0,,NaN,NaN,,"",acgalfuc12gal14acglcgalgluside_hs,acgalfuc12gal14acglcgalgluside_hs,,NaN,"",acgalfuc12gal14acglcgalgluside_hs,"",,,MNXM9469,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
acgalfucgalacgalfuc12gal14acglcgalgluside_hs,"Type IIIA Glycolipid",C78H135N4O45FULLRCO,0,0,0,G00059,NaN,NaN,,"",acgalfucgalacgalfuc12gal14acglcgalgluside_hs,acgalfucgalacgalfuc12gal14acglcgalgluside_hs,,NaN,"",acgalfucgalacgalfuc12gal14acglcgalgluside_hs,"",,,MNXM9196,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@]([H])(O[C@@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]6([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]7([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]7([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]6([H])O[H])O[C@]5([H])C([H])([H])O[H])[C@]4([H])O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])C([H])([H])O[H])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
acgalfucgalacgalfucgalacglcgal14acglcgalgluside_hs,"Type III Ab Glycan",C92H158N5O55FULLRCO,0,0,0,G00075,NaN,NaN,,"",acgalfucgalacgalfucgalacglcgal14acglcgalgluside_hs,acgalfucgalacgalfucgalacglcgal14acglcgalgluside_hs,,NaN,"",acgalfucgalacgalfucgalacglcgal14acglcgalgluside_hs,"",,,MNXM9197,,NaN,,,,"",
acgalfucgalacglcgal14acglcgalgluside_hs,"(Gal)3 (GalNac)1 (Glc)1 (GlcNac)2 (LFuc)1 (Cer)1",X,0,0,0,,NaN,NaN,,"",acgalfucgalacglcgal14acglcgalgluside_hs,acgalfucgalacglcgal14acglcgalgluside_hs,,NaN,"",acgalfucgalacglcgal14acglcgalgluside_hs,"",,,MNXM9472,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]6([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]7([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]7([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]6([H])O[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])O[C@]3([H])C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
acgalfucgalacglcgalgluside_hs,"Type Ia Glycolipid",C58H102N3O31FULLRCO,0,0,0,G00042,NaN,NaN,,"",acgalfucgalacglcgalgluside_hs,acgalfucgalacglcgalgluside_hs,,NaN,"",acgalfucgalacglcgalgluside_hs,"",,,MNXM41055,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
acgalglcur,"Dimer GalNAc-GlcA",C14H22NO12,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
acgalidour,"Dimer GalNAc-IdoA",C14H22NO12,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
acgalidour2s,"Dimer GalNAc-IdoA2S",C14H21NO15S,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
acgam,"N-Acetyl-D-glucosamine",C8H15NO6,0,221.2078,221.0899372,C00140,439174,506227,HMDB0000215,"",acgam,acgam,FDB008032,388319,"N-acetyl-D-glucosamine",acgam,"N-acetylglucosamine",,cpd00122,MNXM143,,3356,7512-17-6,DTXSID3045855,OVRNDRQMDRJTHS-RTRLPJTCSA-N,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
acgam1p,"N-Acetyl-glucosamine 1-phosphate",C8H14NO9P,-2,301.1877,301.0562676,C04256,440272,7125,HMDB0001367,"",acgam1p,acgam1p,FDB022581,389248,"N-ACETYL-D-GLUCOSAMINE-1-P",acgam1p,"",,cpd02611,MNXM91871,,6194,6866-69-9,,FZLJPEPAYPUMMR-RTRLPJTCSA-L,"InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/p-2/t4-,5-,6-,7-,8?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(OP([O-])([O-])=O)[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
acgam6p,"N-Acetyl-D-Glucosamine 6-Phosphate",C8H14NO9P,-2,301.1877,301.0562676,C00357,440996,15784,HMDB0001062,"",acgam6p,acgam6p,FDB022401,389821,"N-ACETYL-D-GLUCOSAMINE-6-P",acgam6p,"",,cpd00293,MNXM63556,,5975,18191-20-3,,BRGMHAYQAZFZDJ-RTRLPJTCSA-L,"InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/p-2/t4-,5-,6-,7-,8?/m1/s1",[H]OC1([H])O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
acgbgbside_hs,"Beta GalNAc globoside (homo sapiens)",C52H92N3O27FULLRCO,0,0,0,,NaN,NaN,,"",acgbgbside_hs,acgbgbside_hs,,NaN,"",acgbgbside_hs,"",,,MNXM7110,,NaN,,,JGSARLDLIJGVTE-MBNYWOFBSA-N,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C3=C([H])C([H])=C([H])C([H])=C3[H])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H]
acglc13galacglcgal14acglcgalgluside_hs,"Nlc7Cer",C66H115N4O37FULLRCO,0,0,0,G00068,NaN,NaN,,"",acglc13galacglcgal14acglcgalgluside_hs,acglc13galacglcgal14acglcgalgluside_hs,,NaN,"",acglc13galacglcgal14acglcgalgluside_hs,"",,,MNXM12472,,NaN,,,,"",
acglcgal14acglcgalgluside_hs,"N-Acetyl-D-Glucosaminyl-1,3-Beta-D-Galactosyl-1,4-N-Acetyl-Beta-D-Glucosaminyl-1,3-Beta-D-Galactosyl-1,4-Beta-D-Glucosylceramide",C52H92N3O27FULLRCO,0,0,0,C04938,NaN,16297,,"",acglcgal14acglcgalgluside_hs,acglcgal14acglcgalgluside_hs,,NaN,"",acglcgal14acglcgalgluside_hs,"",,,MNXM12471,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
acglcgalacglcgal14acglcgalgluside_hs,"(Gal)3 (Glc)1 (Glcnac)3 (Cer)1",C66H115N4O37FULLRCO,0,0,0,G00077,NaN,NaN,,"",acglcgalacglcgal14acglcgalgluside_hs,acglcgalacglcgal14acglcgalgluside_hs,,NaN,"",acglcgalacglcgal14acglcgalgluside_hs,"",,,MNXM9475,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(OC([H])([H])[C@@]3([H])O[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]5([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]6([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]5([H])O[H])O[C@]4([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])N([H])C(=O)C([H])([H])[H])[C@@]3([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
acglcgalgbside_hs,"GlcNac-Gal Globoside",C58H102N3O32FULLRCO,0,0,0,,NaN,NaN,,"",acglcgalgbside_hs,acglcgalgbside_hs,,NaN,"",acglcgalgbside_hs,"",,,MNXM11679,,NaN,,,,"",
acglcgalgluside_hs,"Lactotriaosylceramide",C38H69N2O17FULLRCO,0,0,0,C04845,NaN,17103,,"",acglcgalgluside_hs,acglcgalgluside_hs,,NaN,"",acglcgalgluside_hs,"",,,MNXM91342,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]3([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
acglu,"N-Acetylglutamic acid",C7H9NO5,-2,189.1659,189.0637225,C00624,185,12575,HMDB0001138,"",acglu,acglu,FDB022447,180,"ACETYL-GLU",acglu,"N-Acetylglutamic acid",DB04075,cpd00477,MNXM730,,6031,1188-37-0,DTXSID3046534,RFMMMVDNIPUKGG-YFKPBYRVSA-L,"InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-2/t5-/m0/s1",[H]N(C(=O)C([H])([H])[H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O
acgly,"Acetyl-Glycine",C4H6NO3,-1,0,0,,NaN,NaN,,"",,acgly,,NaN,"",,"",,,,,NaN,,,OKJIRPAQVSHGFK-UHFFFAOYSA-M,"InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)/p-1",[H]N(C(=O)C([H])([H])[H])C([H])([H])C([O-])=O
acgpail_hs,"6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol",C17H29NO14PFULLRCO2FULLR2CO2,-1,621.4802,621.1669999,C01288,53481019,12194,HMDB0011669,"",acgpail_hs,acgpail_hs,FDB028358,NaN,"",acgpail_hs,"",,,MNXM999,,NaN,,,PURMXIZHPMUYNW-DDSODLQFSA-N,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])OP([O-])(=O)OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O)[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
ach,"Acetylcholine",C7H16NO2,1,146.2074,146.1181038,C01996,187,15355,HMDB0000895,"",ach,ach,FDB012191,182,"ACETYLCHOLINE",ach,"Acetylcholine",EXPT00412,,MNXM793,,57,51-84-3,DTXSID8075334,OIPILFWXSMYKGL-UHFFFAOYSA-N,"InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1",[H]C([H])([H])C(=O)OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
achms,"O-Acetyl-L-homoserine",C6H11NO4,0,0,0,,NaN,NaN,HMDB0029423,"",,,,NaN,"",achms,"",,cpd00790,MNXM699,,NaN,,,,"",
achom_L,"Acetylhomoserine",C6H10NO4,-1,0,0,,NaN,NaN,,"",,achom_L,,NaN,"",,"",,,,,NaN,,,HCBFOIPUKYKZJC-YFKPBYRVSA-N,"InChI=1S/C6H11NO4/c1-4(9)7-5(2-3-8)6(10)11/h5,8H,2-3H2,1H3,(H,7,9)(H,10,11)/t5-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C([H])([H])O[H]
acile_L,"Acetyl Isoleucine",C8H14NO3,-1,0,0,,306109,84056,HMDB0061684,"",,acile_L,,9964364,"",,"",,,,,NaN,,,JDTWZSUNGHMMJM-DSEUIKHZSA-M,"InChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/p-1/t5-,7?/m0/s1",[H]N(C(=O)C([H])([H])[H])C([H])(C([O-])=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
acleu_L,"N-Acetylleucine",C8H14NO3,-1,173.2120056,173.1051933,,NaN,NaN,,"",,acleu_L,,NaN,"",,"",,,,,NaN,1188-21-2,DTXSID6045870,WXNXCEHXYPACJF-UHFFFAOYSA-M,"InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/p-1",[H]N(C(=O)C([H])([H])[H])C([H])(C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
aclys,"Acetyl-L-Lysine",C8H16N2O3,0,0,0,,NaN,NaN,,"",,aclys,,NaN,"",,"",,cpd09352,,,NaN,,,VEYYWZRYIYDQJM-ZETCQYMHSA-N,"InChI=1S/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]
acmalt,"Acetyl-maltose",C14H24O12,0,0,0,,NaN,NaN,,"",,,,NaN,"",acmalt,"",,cpd01441,MNXM3135,,NaN,,,,"",
acmam,"N-Acetyl-D-muramoate",C11H18NO8,-1,0,0,,NaN,NaN,HMDB0060493,"",,,,NaN,"",acmam,"",,cpd03485,MNXM12354,,NaN,,,,"",
acmama,"N-Acetyl-D-muramoyl-L-alanine",C14H23N2O9,-1,0,0,,NaN,NaN,HMDB0060494,"",,,,NaN,"",acmama,"",,cpd01923,MNXM4053,,NaN,,,,"",
acmana,"N-Acetylmannosamine",C8H15NO6,0,221.2078,221.0899372,C00645,11096158,63154,HMDB0001129,"",acmana,acmana,FDB028419,9271300,"N-ACETYL-D-MANNOSAMINE",acmana,"N-Acetylmannosamine",,cpd00492,MNXM2403,C00019583,6024,3615-17-6,,OVRNDRQMDRJTHS-ZTVVOAFPSA-N,"InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
acmanap,"N-Acetyl-D-mannosamine 6-phosphate",C8H14NO9P,-2,301.1877,301.0562676,C04257,440273,62165,HMDB0001121,"",acmanap,acmanap,FDB022435,389249,"N-ACETYL-D-MANNOSAMINE-6P",acmanap,"",,cpd02612,MNXM4708,,NaN,873185-52-5,,BRGMHAYQAZFZDJ-ZTVVOAFPSA-L,"InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/p-2/t4-,5+,6-,7-,8?/m1/s1",[H]OC1([H])O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])N([H])C(=O)C([H])([H])[H]
acmp,"Acetaminophen",C8H9NO2,0,151.1626,151.0633285,D00217,1983,46195,HMDB0001859,"",,,FDB022713,1906,"",,"Acetaminophen",DB00316,,,C00044491,6353,103-90-2,DTXSID2020006,RZVAJINKPMORJF-UHFFFAOYSA-N,"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",
acmpglu,"Acetaminophen Glucuronide",C14H16NO8,-1,327.2867,327.0954165,,83944,32636,HMDB0010316,"",,,FDB027468,75744,"",,"",DBMET00580,,,,NaN,16110-10-4,,IPROLSVTVHAQLE-BYNIDDHOSA-N,"InChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1",
acmpglut,"Acetaminophen-Glutathione-Conjugate",C19H26N4O7S,0,0,0,,NaN,32639,,"",,,,NaN,"",,"",,,,,NaN,,,VFNAXGMNFCUWCI-RYUDHWBXSA-N,"InChI=1S/C18H24N4O8S/c1-9(23)21-10-2-4-13(24)14(6-10)31-8-12(17(28)20-7-16(26)27)22-15(25)5-3-11(19)18(29)30/h2,4,6,11-12,24H,3,5,7-8,19H2,1H3,(H,20,28)(H,21,23)(H,22,25)(H,26,27)(H,29,30)/t11-,12-/m0/s1",
acn13acngalgbside_hs,"Sialyl-(1,3)-Sialyl-(2,6)-Galactosylgloboside",C72H121N4O43FULLRCO,-2,0,0,,NaN,NaN,,"",acn13acngalgbside_hs,acn13acngalgbside_hs,,NaN,"",acn13acngalgbside_hs,"",,,MNXM9107,,NaN,,,,"",
acn23acngalgbside_hs,"Salyl-(2,3)-Sialyl-(2,6)-Galactosylgloboside",C72H121N4O43FULLRCO,-2,0,0,,NaN,NaN,,"",acn23acngalgbside_hs,acn23acngalgbside_hs,,NaN,"",acn23acngalgbside_hs,"",,,MNXM9108,,NaN,,,,"",
acnacngal14acglcgalgluside_hs,"3',8'-LD1",C66H111N4O38FULLRCO,-2,0,0,G00064,NaN,NaN,,"",acnacngal14acglcgalgluside_hs,acnacngal14acglcgalgluside_hs,,NaN,"",acnacngal14acglcgalgluside_hs,"",,,MNXM8082,,NaN,,,,"",
acnacngalgbside_hs,"Disialyl-Galactosylgloboside",C72H121N4O43FULLRCO,-2,0,0,,NaN,NaN,,"",acnacngalgbside_hs,acnacngalgbside_hs,,NaN,"",acnacngalgbside_hs,"",,,MNXM8553,,NaN,,,,"",
acnam,"N-Acetylneuraminic acid",C11H18NO9,-1,309.2699,309.1059812,C19910,445063,45744,HMDB0000230,"",acnam,acnam,FDB001209,392810,"N-ACETYLNEURAMINATE",acnam,"N-Acetylneuraminic acid",,cpd00232,MNXM227,C00019584,3321,131-48-6,DTXSID0050425,SQVRNKJHWKZAKO-PFQGKNLYSA-M,"InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/p-1/t5-,6+,7+,8+,9+,11-/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[C@](O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
acnam2a6agal,"Alpha-2,6-N-acetylneuraminate-N-acetylgalactosamine",C19H31N2O14,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
acnamp,"N-Acetylneuraminic acid 9-phosphate",C11H17NO12P,-3,389.2498,389.0723116,C06241,440962,27438,HMDB0004381,"",acnamp,acnamp,FDB023369,389789,"",acnamp,"",,,MNXM164499,,NaN,37992-17-9,DTXSID30349318,SQMNIXJSBCSNCI-LUWBGTNYSA-K,"InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/p-3/t5-,6+,7+,8+,9+,11?/m0/s1",[H]O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]1([H])OC(O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
acngal14acglcgalgluside_hs,"Alpha-N-Acetylneuraminyl-2,3-Beta-D-Galactosyl-1,4-N-Acetyl-Beta-D-Glucosaminyl-1,3-Beta-D-Galactosyl-1,4-D-Glucosylceramide",C55H95N3O30FULLRCO,-1,0,0,C04936,NaN,36528,,"",acngal14acglcgalgluside_hs,acngal14acglcgalgluside_hs,,NaN,"",acngal14acglcgalgluside_hs,"",,,MNXM9109,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1([H])O[C@@](O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
acngalacglcgal14acglcgalgluside_hs,"Vi3Neuac-Nlc6Cer",C69H118N4O40FULLRCO,-1,0,0,G00088,NaN,NaN,,"",acngalacglcgal14acglcgalgluside_hs,acngalacglcgal14acglcgalgluside_hs,,NaN,"",acngalacglcgal14acglcgalgluside_hs,"",,,MNXM9231,,NaN,,,,"InChI=1S/C71H122N4O41/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(87)33(72-29(2)83)28-103-66-53(97)52(96)59(42(27-82)109-66)112-68-55(99)62(48(92)38(23-78)105-68)114-64-44(74-31(4)85)50(94)57(40(25-80)107-64)110-67-54(98)61(47(91)37(22-77)104-67)113-65-45(75-32(5)86)51(95)58(41(26-81)108-65)111-69-56(100)63(49(93)39(24-79)106-69)116-71(70(101)102)20-35(88)43(73-30(3)84)60(115-71)46(90)36(89)21-76/h18-19,33-69,76-82,87-100H,6-17,20-28H2,1-5H3,(H,72,83)(H,73,84)(H,74,85)(H,75,86)(H,101,102)/b19-18+/t33-,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65-,66+,67-,68-,69-,71-/m0/s1",[H]OC(=O)[C@]1(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]6([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]7([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]7([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]6([H])O[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])O[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H]
acngalacglcgalgluside_hs,"(Gal)3 (Glc)1 (GlcNac)1 (Cer)1",X,0,0,0,,NaN,NaN,,"",acngalacglcgalgluside_hs,acngalacglcgalgluside_hs,,NaN,"",acngalacglcgalgluside_hs,"",,,MNXM41010,,NaN,,,,"",
acngalgbside_hs,"Sialyl Galactosylgloboside",C61H105N3O35FULLRCO,-1,0,0,,NaN,NaN,,"",acngalgbside_hs,acngalgbside_hs,,NaN,"",acngalgbside_hs,"",,,MNXM7769,,NaN,,,,"",
acon_C,"Cis-Aconitate",C6H3O6,-3,0,0,,NaN,NaN,,"",,,,NaN,"",acon_C,"",,cpd00331,MNXM813,,NaN,,,,"",
acon_T,"Trans-Aconitate",C6H3O6,-3,0,0,,NaN,NaN,,"",,,,NaN,"",acon_T,"",,cpd01563,MNXM1388,,NaN,,,,"",
aconm,"E-3-carboxy-2-pentenedioate 6-methyl ester",C7H6O6,-2,0,0,,NaN,NaN,,"",,,,NaN,"",aconm,"",,cpd08353,MNXM3742,,NaN,,,,"",
acorn,"N-Acetylornithine",C7H14N2O3,0,174.1977,174.1004423,C00437,439232,16543,HMDB0003357,"",acorn,acorn,FDB023152,388369,"N-ALPHA-ACETYLORNITHINE",acorn,"",,cpd00342,MNXM817,,NaN,,DTXSID80331400,JRLGPAXAGHMNOL-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",[H]N(C(=O)C([H])([H])[H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
ACP,"Acyl Carrier Protein",C11H21N2O7PRS,-1,0,0,C00229,NaN,NaN,,"",ACP,,,NaN,"",ACP,"",,cpd11493,MNXM925,,NaN,,,,"",[H]S[*]
acrn,"L-Acetylcarnitine",C9H17NO4,0,203.2356,203.115758,C02571,1,57589,HMDB0000201,"",acrn,acrn,FDB021904,21243783,"(-)o-acetylcarnitine",acrn,"Acetyl-L-carnitine",,,MNXM1028,,5213,3040-38-8,DTXSID1040956,RDHQFKQIGNGIED-MRVPVSSYSA-N,"InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1",[H]C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
acryl,"Acrylate",C3H3O2,-1,71.05599976,71.01385292,,6581,NaN,HMDB0031647,"",,,,NaN,"",acryl,"",,cpd00400,MNXM1368,,NaN,10344-93-1,DTXSID90145858,NIXOWILDQLNWCW-UHFFFAOYSA-M,"InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/p-1",[H]C([H])=C([H])C([O-])=O
acser,"O-Acetyl-L-serine",C5H9NO4,0,0,0,C00979,189,17981,HMDB0003011,"",,,,184,"",acser,"O-Acetylserine",DB01837,cpd00722,MNXM418,C00007459,NaN,66638-22-0,,,"",
actACP,"Acetoacetyl-ACP",C15H25N2O9PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",actACP,"",,cpd11488,MNXM1223,,NaN,,,,"",
acthr_L,"Acetyl-Threonine",C6H10NO4,-1,0,0,,NaN,NaN,,"",,acthr_L,,NaN,"",,"",,,,,NaN,,,PEDXUVCGOLSNLQ-UHFFFAOYSA-M,"InChI=1S/C6H11NO4/c1-3(8)5(6(10)11)7-4(2)9/h3,5,8H,1-2H3,(H,7,9)(H,10,11)/p-1",[H]OC([H])(C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])[H])C([O-])=O
actn_R,"(R)-Acetoin",C4H8O2,0,0,0,,NaN,NaN,HMDB0003243,"",,,,NaN,"",actn__R,"",,cpd00361,MNXM664,,NaN,,,,"",
actn_S,"(S)-Acetoin",C4H8O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd01221,,,NaN,,,,"",
actp,"Acetyl phosphate",C2H3O5P,-2,0,0,,NaN,NaN,HMDB0001494,"",,,,NaN,"",actp,"",,cpd00196,MNXM280,,NaN,,,,"",
actyr,"N-Acetyl-Tyrosine",C11H12NO4,-1,223.2279968,223.0844579,,NaN,NaN,,"",,actyr,,NaN,"",,"",,,,,NaN,537-55-3,DTXSID7046045,CAHKINHBCWCHCF-JTQLQIEISA-M,"InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/p-1/t10-/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])[H])C([O-])=O
ad,"Acetamide",C2H5NO,0,0,0,,NaN,NaN,HMDB0031645,"",,,,NaN,"",ad,"",,cpd03734,MNXM4428,,NaN,,,,"",
adchac,"Allodeoxycholic Acid",C24H39O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
adcobdam,"Adenosyl cobyrinate diamide",C55H68CoN11O15,-4,0,0,C06506,NaN,NaN,HMDB0001083,"",,,,NaN,"",adcobdam,"",,cpd03916,MNXM92085,,NaN,,,,"",
adcobhex,"Adenosyl cobyrinic acid a,c diamide",C55H76CoN15O11,0,1187.166,1186.461961,C06506,NaN,NaN,HMDB0001083,"",,,FDB022414,NaN,"CPD-690",adcobhex,"",,cpd03917,MNXM877,,5991,,,OCNLJCZKGHKJGF-QOCQOLRHSA-M,"",
ade,"Adenine",C5H5N5,0,135.1267,135.0544952,C00147,190,16708,HMDB0000034,"",ade,ade,FDB012266,185,"ADENINE",ade,"Adenine",DB00173,cpd00128,MNXM168,C00001490,85,73-24-5,DTXSID6022557,GFFGJBXGBJISGV-UHFFFAOYSA-N,"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)",[H]N([H])C1=C2N=C([H])N([H])C2=NC([H])=N1
adhap_hs,"Acyl-Dihydroxyacetone Phosphate",C3H4O6PFULLRCO,-2,0,0,C03372,NaN,15835,,"",adhap_hs,,,NaN,"",adhap_hs,"",,,MNXM94364,,62468,,,,"",[H]C([H])(OC([*])=O)C(=O)C([H])([H])OP([O-])([O-])=O
adhlam,"S-Acetyldihydrolipoamide",C10H19NO2S2,0,0,0,,NaN,NaN,HMDB0001526,"",,,,NaN,"",adhlam,"",,cpd00836,MNXM4815,,NaN,,,,"",
adn,"Adenosine",C10H13N5O4,0,267.2413,267.0967539,C00212,60961,16335,HMDB0000050,"adenosine",adn,adn,FDB003554,54923,"ADENOSINE",adn,"Adenosine",DB00640,cpd00182,MNXM212,C00007444,86,58-61-7,DTXSID1022558,OIRDTQYFTABQOQ-KQYNXXCUSA-N,"InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])O[H]
adocbi,"Adenosyl cobinamide",C58H84CoN16O11,1,0,0,,NaN,NaN,HMDB0006903,"",,,,NaN,"",adocbi,"",,cpd03918,MNXM90790,,NaN,,,,"",
adocbip,"Adenosyl cobinamide phosphate",C58H83CoN16O14P,-1,0,0,,NaN,NaN,HMDB0012184,"",,,,NaN,"",adocbip,"",,cpd03919,MNXM856,,NaN,,,,"",
adocbl,"Adenosylcobalamin",C72H100CoN18O17P,0,1579.5818,1578.658346,C00194,5459907,18408,HMDB0002086,"",,,FDB022837,16736117,"ADENOSYLCOBALAMIN-5-P",adocbl,"Adenosylcobalamin",,cpd00166,MNXM90703,,NaN,13870-90-1,DTXSID1046009,ZIHHMGTYZOSFRC-OUCXYWSSSA-L,"InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1",[N+]12=C3[C@](C([H])([H])C([H])([H])C(=O)N([H])[H])([H])C(C1=C(C1=[N+]4[Co-3]225([N+]6=C(C(C([H])([H])[H])=C4[C@](C([H])([H])[H])([C@@]1(C(C([H])([H])C(=O)N([H])[H])([H])[H])[H])C([H])([H])C(N([H])[H])=O)[C@@](C([H])([H])C([H])([H])C(N([H])[H])=O)([C@@]([C@@]6([C@@]1([H])[C@@]([C@](C(N21)=C3C([H])([H])[H])(C([H])([H])C(C(=O)N([H])C([H])([H])[C@@](C([H])([H])[H])(OP([O-])(O[C@@]1([H])[C@]([H])([C@@](O[C@@]1(C(O[H])([H])[H])[H])([H])N1C(=[N+]5C2=C([H])C(C([H])([H])[H])=C(C([H])=C12)C([H])([H])[H])[H])O[H])=O)[H])([H])[H])C([H])([H])[H])(C(C(N([H])[H])=O)([H])[H])[H])C([H])([H])[H])(C([H])([H])C(=O)N([H])[H])C([H])([H])[H])[H])C([C@]1(O[C@]([C@@]([H])([C@]1([H])O[H])O[H])(N1C([H])=NC2=C(N([H])[H])N=C(N=C12)[H])[H])[H])([H])[H])[H])(C([H])([H])[H])C([H])([H])[H]
adp,"ADP",C10H12N5O10P2,-3,427.2011,427.0294147,C00008,6022,16761,HMDB0001341,"ADP",adp,adp,FDB021817,5800,"ADP",adp,"ADP",DB03431,cpd00008,MNXM7,C00019353,6175,58-64-0,DTXSID60883210,XTWYTFMLZFPYCI-KQYNXXCUSA-K,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
adpac,"Adipic acid",C6H8O4,-2,146.1412,146.0579088,C06104,196,30832,HMDB0000448,"",adpac,adpac,FDB008309,191,"ADIPATE",adpac,"Adipic acid",DBMET00501,,MNXM163728,C00001178,115,124-04-9,DTXSID7021605,WNLRTRBMVRJNCN-UHFFFAOYSA-L,"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2",[H]C([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O
adpcoa,"Adipoyl Coenzyme A",C27H39N7O19P3S,-5,0,0,,9543333,NaN,,"",adpcoa,adpcoa,,NaN,"",adpcoa,"",,,MNXM163269,,NaN,,,SPNAEHGLBRRCGL-BIEWRJSYSA-I,"InChI=1S/C27H44N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24(19)34/h13-15,20-22,26,39-40H,3-12H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-5/t15-,20-,21-,22+,26-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
adpglc,"ADP-glucose",C16H23N5O15P2,-2,589.3417,589.0822382,C00498,16500,15751,HMDB0006557,"",adpglc,,FDB001211,15642,"ADP-D-GLUCOSE",adpglc,"",,cpd00387,MNXM561,C00007354,NaN,2140-58-1,,WFPZSXYXPSUOPY-ROYWQJLOSA-L,"InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/p-2/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C(N=C([H])N=C34)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
adphep_DD,"ADP-D-glycero-D-manno-heptose",C17H25N5O16P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",adphep_DD,"",,cpd03830,MNXM1648,,NaN,,,,"",
adphep_LD,"ADP-L-glycero-D-manno-heptose",C17H25N5O16P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",adphep_LD,"",,cpd03831,MNXM857,,NaN,,,,"",
adpman,"ADP-Mannose",C16H23N5O15P2,-2,589.3417,589.0822382,C06192,440940,28845,HMDB0006369,"",adpman,adpman,FDB023906,389769,"ADP-MANNOSE",adpman,"",,,MNXM166901,,NaN,28447-34-9,,WFPZSXYXPSUOPY-KXHLDQJJSA-L,"InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/p-2/t5-,6-,8-,9-,10+,11-,12+,15-,16-/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C(N=C([H])N=C34)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
adpoh,"2-Hydroxyadipic Acid",C6H8O5,-2,0,0,,NaN,NaN,,"",,adpoh,,NaN,"",,"",,,,,NaN,,,OTTXIFWBPRRYOG-UHFFFAOYSA-L,"InChI=1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/p-2",[H]OC([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O
adprbp,"ADP-ribose 2'-phosphate",C15H20N5O17P3,-4,639.2956,639.0380039,C03246,439957,37463,HMDB0006336,"",adprbp,adprbp,FDB002991,388983,"CPD-861",adprbp,"",,,MNXM92094,,NaN,26303-90-2,,OCOLIMYIUOUURJ-IEXJHJBLSA-J,"InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(35-38(25,26)27)9(23)6(33-14)2-32-39(28,29)37-40(30,31)36-15-10(24)8(22)5(1-21)34-15/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/p-4/t5-,6-,8-,9-,10-,11-,14-,15?/m0/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C(N=C([H])N=C34)N([H])[H])[C@]([H])(OP([O-])([O-])=O)[C@]2([H])O[H])[C@]([H])(O[H])[C@]1([H])O[H]
adprib,"Adenosine diphosphate ribose",C15H21N5O14P2,-2,559.3157,559.0716735,C00301,192,16960,HMDB0001178,"",adprib,adprib,FDB022468,187,"ADENOSINE_DIPHOSPHATE_RIBOSE",adprib,"Adenosine_diphosphate_ribose",,cpd00251,MNXM48596,,6059,20762-30-5,,SRNWOUGRCWSEMX-IEXJHJBLSA-L,"InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/p-2/t5-,6-,8-,9-,10-,11-,14-,15?/m0/s1",[H]OC1([H])O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C(N=C([H])N=C34)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
adrn,"Adrenic acid",C22H35O2,-1,332.52,332.2715304,C16527,5497181,53487,HMDB0002226,"",adrn,adrn,FDB022918,4593749,"",adrn,"Adrenic acid",,cpd16342,MNXM40344,,6560,2091-25-0,,TWSWSIQAPQLDBP-UXGBKZFVSA-M,"InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/p-1/b7-6-,10-9?,13-12-,16-15-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
adrncoa,"Adrenyl coenzyme A",C43H66N7O17P3S,-4,1082.039,1081.376174,C16170,23724647,NaN,HMDB0060208,"",adrncoa,adrncoa,,NaN,"",adrncoa,"",,cpd14891,MNXM90397,,NaN,,,LVXQCHCSSLFKLO-GKLWCFAUSA-J,"InChI=1S/C43H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4-7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b9-8-,12-11-,15-14-,18-17?/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
adrncrn,"Ocosatetraenoylcarnitine",C29H49NO4,0,0,0,,53477825,NaN,,"",adrncrn,adrncrn,,NaN,"",adrncrn,"",,,MNXM8255,,NaN,,,OLORTLVEDIELGC-SNPVRQPZSA-N,"InChI=1S/C29H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h9-10,12-13,15-16,18-19,27H,5-8,11,14,17,20-26H2,1-4H3/b10-9-,13-12-,16-15-,19-18-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
adrnl,"Epinephrine",C9H14NO3,1,183.2044,183.0895433,C00788,5816,28918,HMDB0000068,"",adrnl,adrnl,FDB021889,5611,"L-EPINEPHRINE",adrnl,"Epinephrine",DB00668,,MNXM162647,C00029643,5127,51-43-4,DTXSID5022986,UCTWMZQNUQWSLP-VIFPVBQESA-O,"InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/p+1/t9-/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1O[H])[C@@]([H])(O[H])C([H])([H])[N+]([H])([H])C([H])([H])[H]
adsel,"Adenylylselenate",C10H12N5O10PSe,-2,474.18,474.96435,C05686,440758,2485,HMDB0004112,"",,,FDB023314,389628,"",adsel,"",,cpd03388,MNXM92092,,NaN,,,XCADVMZZFPIERR-KQYNXXCUSA-L,"InChI=1S/C10H14N5O10PSe/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/p-2/t4-,6-,7-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)O[Se]([O-])(=O)=O)[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
aflatoxin,"Aflatoxin B1",C17H12O6,0,312.2736,312.0633881,C06800,14403,2504,HMDB0006552,"",aflatoxin,aflatoxin,FDB014816,13758,"CPD-4592",aflatoxin,"",,,MNXM40393,C00000546,NaN,1162-65-8,DTXSID9020035,OQIQSTLJSLGHID-WNWIJWBNSA-N,"InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1",[H]C1=C([H])[C@@]2([H])C3=C4OC(=O)C5=C(C4=C(OC([H])([H])[H])C([H])=C3O[C@@]2([H])O1)C([H])([H])C([H])([H])C5=O
agal1b3agal,"Beta-1,3-N,N-diacetylgalactosamine",C16H28N2O11,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
agal1b6agal,"Beta-1,6-N,N-diacetylgalactosamine",C16H28N2O11,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
agam1b3agal,"Beta-1,3-N-acetylglucosamine-N-acetylgalactosamine",C16H28N2O11,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
agam1b6agal,"Beta-1,6-N-acetylglucosamine-N-acetylgalactosamine",C16H28N2O11,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
agdpcbi,"Adenosine-GDP-cobinamide",C68H95CoN21O21P2,-1,0,0,,NaN,NaN,HMDB0012185,"",,,,NaN,"",agdpcbi,"",,cpd03920,MNXM1105,,NaN,,,,"",
agm,"Agmatine",C5H16N4,2,130.1915,130.1218465,C00179,199,17431,HMDB0001432,"",agm,agm,FDB008310,194,"AGMATHINE",agm,"Agmatine",,cpd00152,MNXM328,C00001400,3523,306-60-5,DTXSID0040961,QYPPJABKJHAVHS-UHFFFAOYSA-P,"InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)/p+2",[H]N([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])=[N+]([H])[H]
ahandrostan,"Etiocholanolone",C19H30O2,0,290.4403,290.2245802,C04373,5880,28195,HMDB0000490,"",,ahandrostan,FDB022072,5669,"",ahandrostan,"Etiocholanolone",DB02854,,MNXM2192,,5477,53-42-9,,QGXBDMJGAMFCBF-BNSUEQOYSA-N,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])C(=O)[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]23[H])C1([H])[H]
ahandrostanglc,"Etiocholanolone glucuronide",C25H38O8,0,466.5644,466.2566682,C11136,443078,37451,HMDB0004484,"",,ahandrostanglc,FDB023376,391377,"Beta-D-Glucuronides",ahandrostanglc,"Etiocholanolone_glucuronide",,,MNXM6098,,7064,,,VFUIRAVTUVCQTF-SDHZCXLISA-N,"InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1",[H]OC(=O)[C@@]1([H])O[C@@]([H])(O[C@]2([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]4([H])[C@]5([H])C([H])([H])C([H])([H])C(=O)[C@@]5(C([H])([H])[H])C([H])([H])C([H])([H])[C@]34[H])C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
ahcys,"S-Adenosylhomocysteine",C14H20N6O5S,0,384.411,384.1215885,C00021,439155,16680,HMDB0000939,"S-adenosyl-L-homocysteine",ahcys,ahcys,FDB022327,388301,"ADENOSYL-HOMO-CYS",ahcys,"SAH",DBMET00514,cpd00019,MNXM19,C00007230,296,979-92-0,,ZJUKTBDSGOFHSH-WFMPWKQPSA-N,"InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])SC([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
ahdt,"Dihydroneopterin triphosphate",C9H12N5O13P3,-4,495.1703,494.9957452,C04895,121885,18372,HMDB0000980,"DHNTP",ahdt,ahdt,FDB022349,108735,"6-1S2R-12-DIHYDROXY-3-TRIPHOSPHOOXY",ahdt,"",,cpd02978,MNXM397,C00007510,5917,20574-65-6,DTXSID60174579,DGGUVLXVLHAAGT-UJURSFKZSA-J,"InChI=1S/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/p-4/t4-,6+/m0/s1",[H]O[C@@]([H])(C1=NC2=C(N=C(N([H])[H])N([H])C2=O)N([H])C1([H])[H])[C@]([H])(O[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O
ai15tca1,"Anteisopentadecanoyllipoteichoic acid (n=24), linked, unsubstituted",C117H228O135P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15753,,,NaN,,,,"",
ai15tcaacgam,"Anteisopentadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine",C309H540N24O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15771,,,NaN,,,,"",
ai15tcaala_D,"Anteisopentadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted",C189H324N24O135P24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15780,,,NaN,,,,"",
ai15tcaglc,"Anteisopentadecanoyllipoteichoic acid (n=24), linked, glucose substituted",C261H468O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15762,,,NaN,,,,"",
ai17tca1,"Anteisoheptadecanoyllipoteichoic acid (n=24), linked, unsubstituted",C121H236O135P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15750,,,NaN,,,,"",
ai17tcaacgam,"Anteisoheptadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine",C313H548N24O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15768,,,NaN,,,,"",
ai17tcaala_D,"Anteisoheptadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted",C193H332N24O135P24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15777,,,NaN,,,,"",
ai17tcaglc,"Anteisoheptadecanoyllipoteichoic acid (n=24), linked, glucose substituted",C265H476O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15759,,,NaN,,,,"",
aicar,"AICAR",C9H13N4O8P,-2,338.2112,338.06275,C04677,65110,18406,HMDB0001517,"",aicar,aicar,FDB001213,58620,"AICAR",aicar,"AICA ribonucleotide",,cpd02851,MNXM365,C00007383,6294,3031-94-5,,NOTGFIUVDGNKRI-UUOKFMHZSA-L,"InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/p-2/t3-,5-,6-,9-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC(C(=O)N([H])[H])=C1N([H])[H]
aihpdcoa,"Fa12coa,Anteiso-C17:0 CoA   Anteisoheptadecanoyl-CoA",C38H64N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11434,,,NaN,,,,"",
aipdcoa,"Fa4coa,Anteiso-C15:0 CoA   Anteisopentadecanoyl-CoA",C36H60N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11439,,,NaN,,,,"",
air,"5-Aminoimidazole ribonucleotide",C8H12N3O7P,-2,295.1864,295.0569363,C03373,161500,28843,HMDB0001235,"",air,air,FDB022504,141854,"5-PHOSPHORIBOSYL-5-AMINOIMIDAZOL",air,"",,cpd02140,MNXM162266,C00019655,6097,25635-88-5,,PDACUKOKVHBVHJ-LLRQIJQNSA-L,"InChI=1S/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)/p-2/t4-,6-,7-,8?/m0/s1",[H]O[C@@]1([H])C([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC([H])=C1N([H])[H]
ak2g_hs,"1-Alkyl 2-Acylglycerol",C5H10O2FULLRFULLR2CO2,0,0,0,C03201,NaN,52595,,"",ak2g_hs,,,NaN,"",ak2g_hs,"",,,MNXM90768,,NaN,,,,"",[H]OC([H])([H])C([H])(OC([*])=O)C([H])([H])O[*]
ak2gchol_hs,"1-Alkyl 2-Acylglycerol 3-Phosphocholine",C10H20O5NPFULLRFULLR2CO,0,0,0,C05212,NaN,36702,,"",ak2gchol_hs,,,NaN,"",ak2gchol_hs,"",,cpd12678,MNXM14173,,NaN,,,,"",[H]OP(=O)(OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])O[*]
ak2gp_hs,"1-Alkyl 2-Acylglycerol 3-Phosphate",C5H9O6PFULLRFULLR2CO,-2,0,0,C05977,NaN,NaN,,"",ak2gp_hs,,,NaN,"",ak2gp_hs,"",,,MNXM91823,,NaN,,,,"",[H]C([H])(O*)C([H])(OC(*)=O)C([H])([H])OP([O-])([O-])=O
ak2gpe_hs,"1-Alkyl 2-Acylglycerol 3-Phosphoethanolamine",C7H16O5NPFULLRFULLR2CO,0,0,0,C04475,NaN,NaN,,"",ak2gpe_hs,,,NaN,"",ak2gpe_hs,"",,,MNXM9591,,NaN,,,,"",[H]OP(=O)(OC([H])([H])C([H])([H])N([H])[H])OC([H])([H])C([H])(OC(*)=O)C([H])([H])O*
ak2lgchol_hs,"LysoPC(O-18:0)",C10H21O5NPFULLR,0,509.6997,509.384525,C04317,2733532,560225,HMDB0011149,"",ak2lgchol_hs,ak2lgchol_hs,FDB027924,2015318,"",ak2lgchol_hs,"",,,MNXM1256,,NaN,,,XKBJVQHMEXMFDZ-AREMUKBSSA-N,"",[H]O[C@]([H])(C([H])([H])O[*])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
akdhap_hs,"1-Alkyldihydroxyacetone Phosphate",C3H4O6PFULLRC2H4,-2,0,0,,NaN,NaN,,"",akdhap_hs,,,NaN,"",akdhap_hs,"",,,MNXM887,,NaN,,,,"",
akg,"Oxoglutaric acid",C5H4O5,-2,146.0981,146.0215233,C00026,51,30915,HMDB0000208,"2-oxoglutaric acid",akg,akg,FDB003361,50,"2-KETOGLUTARATE",akg,"Alpha-Ketoglutaric_acid",DB02926,cpd00024,MNXM20,C00000769,5218,328-50-7,DTXSID5033179,KPGXRSRHYNQIFN-UHFFFAOYSA-L,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-2",[H]C([H])(C([O-])=O)C([H])([H])C(=O)C([O-])=O
akgp_hs,"O-Alkylglycerone Phosphate",C4H10O4PFULLRCO2,-2,0,0,C03715,NaN,17197,,"",akgp_hs,,,NaN,"",akgp_hs,"",,,MNXM9595,,NaN,,,,"",[H]C([H])(O[*])C(=O)C([H])([H])OP([O-])([O-])=O
ala_B,"beta-Alanine",C3H7NO2,0,89.0932,89.04767847,C00099,239,16958,HMDB0000056,"",ala_B,ala_B,FDB002253,234,"B-ALANINE",ala_B,"beta-Alanine",DB03107,cpd00085,MNXM144,C00001333,5119,107-95-9,DTXSID0030823,UCMIRNVEIXFBKS-UHFFFAOYSA-N,"InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)",[H][N+]([H])([H])C([H])([H])C([H])([H])C([O-])=O
ala_D,"D-Alanine",C3H7NO2,0,89.0932,89.04767847,C00133,71080,15570,HMDB0001310,"",ala_D,ala_D,FDB022546,64234,"D-ALANINE",ala__D,"D-Alanine",,cpd00117,MNXM156,C00019654,NaN,338-69-2,DTXSID3045649,QNAYBMKLOCPYGJ-UWTATZPHSA-N,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",[H]C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H]
ala_L,"L-Alanine",C3H7NO2,0,89.0932,89.04767847,C00041,5950,16977,HMDB0000161,"",ala_L,ala_L,FDB000556,5735,"L-ALPHA-ALANINE",ala__L,"2-Aminopropanoic acid",,cpd00035,MNXM32,C00001332,NaN,56-41-7,DTXSID6031255,QNAYBMKLOCPYGJ-REOHCLBHSA-N,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1",[H]C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
alaala,"D-Alanyl-D-Alanine",C6H12N2O3,0,0,0,,5460362,NaN,,"",alaala,,,NaN,"",alaala,"",,cpd00731,MNXM669,,NaN,,,DEFJQIDDEAULHB-QWWZWVQMSA-N,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",[H]N(C(=O)[C@@]([H])(C([H])([H])[H])[N+]([H])([H])[H])[C@@]([H])(C([O-])=O)C([H])([H])[H]
alaargcys,"Alanyl-Arginyl-Cysteine",C12H25N6O4S,1,0,0,,NaN,NaN,,"",,alaargcys,,NaN,"",,"",,,,,NaN,,,WRDANSJTFOHBPI-UHFFFAOYSA-O,"InChI=1S/C12H24N6O4S/c1-6(13)9(19)17-7(3-2-4-16-12(14)15)10(20)18-8(5-23)11(21)22/h6-8,23H,2-5,13H2,1H3,(H,17,19)(H,18,20)(H,21,22)(H4,14,15,16)/p+1",[H]SC([H])([H])C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(C([H])([H])[H])[N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([O-])=O
alaarggly,"Alanyl-Arginyl-Glycine",C11H23N6O4,1,0,0,,NaN,NaN,,"",,alaarggly,,NaN,"",,"",,,,,NaN,,,JBGSZRYCXBPWGX-UHFFFAOYSA-O,"InChI=1S/C11H22N6O4/c1-6(12)9(20)17-7(3-2-4-15-11(13)14)10(21)16-5-8(18)19/h6-7H,2-5,12H2,1H3,(H,16,21)(H,17,20)(H,18,19)(H4,13,14,15)/p+1",[H]N([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])C([H])(N([H])C(=O)C([H])(C([H])([H])[H])[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)=[N+]([H])[H]
alaasnleu,"Alanyl-Asparaginyl-Leucine",C13H24N4O5,0,0,0,,NaN,NaN,,"",,alaasnleu,,NaN,"",,"",,,,,NaN,,,NXSFUECZFORGOG-UHFFFAOYSA-N,"InChI=1S/C13H24N4O5/c1-6(2)4-9(13(21)22)17-12(20)8(5-10(15)18)16-11(19)7(3)14/h6-9H,4-5,14H2,1-3H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)",[H]OC(=O)C([H])(N([H])C(=O)C([H])(N([H])C(=O)C([H])(N([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
alaasp,"L-alanyl-L-aspartate",C7H11N2O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11593,,,NaN,,,,"",
alac_S,"(S)-2-Acetolactate",C5H7O4,-1,0,0,,NaN,NaN,HMDB0006855,"",,,,NaN,"",alac__S,"",,cpd00668,MNXM114079,,NaN,,,,"",
alagln,"L-alanyl-L-glutamine",C8H15N3O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11587,,,NaN,,,,"",
alaglu,"L-alanyl-L-glutamate",C8H13N2O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11586,,,NaN,,,,"",
alagly,"L-alanylglycine",C5H10N2O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11585,,,NaN,,,,"",
alaglylys,"Alanyl-Glycyl-Lysine",C11H23N4O4,2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BLIMFWGRQKRCGT-YUMQZZPRSA-N,"InChI=1S/C11H22N4O4/c1-7(13)10(17)14-6-9(16)15-8(11(18)19)4-2-3-5-12/h7-8H,2-6,12-13H2,1H3,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]
alahis,"Carnosine",C9H14N4O3,0,226.2325,226.1065903,C00386,439224,15727,HMDB0000033,"",,,FDB000511,388363,"CARNOSINE",,"Carnosine",,cpd11584,,,38,305-84-0,DTXSID80879594,CQOVPNPJLQNMDC-ZETCQYMHSA-N,"InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1",
alahisala,"Alanyl-Histidyl-Alanine",C12H19N5O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JDIQCVUDDFENPU-ZKWXMUAHSA-N,"InChI=1S/C12H19N5O4/c1-6(13)10(18)17-9(3-8-4-14-5-15-8)11(19)16-7(2)12(20)21/h4-7,9H,3,13H2,1-2H3,(H,14,15)(H,16,19)(H,17,18)(H,20,21)/t6-,7-,9-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])([H])[H]
alaleu,"L-alanyl-L-leucine",C9H18N2O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11583,,,NaN,,,,"",
alalysthr,"Alanyl-Lysine-Threonine",C13H27N4O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OINVDEKBKBCPLX-QEYWKRMJSA-O,"InChI=1S/C13H26N4O5/c1-7(15)11(19)16-9(5-3-4-6-14)12(20)17-10(8(2)18)13(21)22/h7-10,18H,3-6,14-15H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)/p+1/t7-,8-,9+,10-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H]
alathr,"L-alanyl-L-threonine",C7H14N2O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11582,,,NaN,,,,"",
alchac,"Allolithocholic Acid",C24H39O3,0,0,0,,NaN,NaN,HMDB0000381,"",,,FDB021999,4446891,"",,"",,,,,NaN,,,,"",
aldstrn,"Aldosterone",C21H28O5,0,360.444,360.193674,C01780,24758425,27584,HMDB0000037,"",aldstrn,aldstrn,FDB021883,24774738,"ALDOSTERONE",aldstrn,"Aldosterone",DB04630,cpd01228,MNXM163270,,418,52-39-1,DTXSID7022419,PQSUYGKTWSAVDQ-ZVIOFETBSA-N,"InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1",[H]OC([H])([H])C(=O)[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])[C@@]([H])(O[H])C([H])([H])[C@]12C([H])=O
alkylR1oh,"Hydroxy Alkyl Chain",C2H5OFULLR,0,0,0,,NaN,NaN,,"",alkylR1oh,,,NaN,"",alkylR1oh,"",,,MNXM18595,,NaN,,,,"",
allop,"Allopurinol",C5H4N4O,0,136.1139984,136.0385108,D00224,2094,40279,HMDB0014581,"",,,,2010,"",,"Allopurinol",DB00437,,,,NaN,315-30-0,DTXSID4022573,OFCNXPDARWKPPY-UHFFFAOYSA-N,"",
allphn,"Allophanate",C2H3N2O3,-1,0,0,C01010,NaN,NaN,,"",,,,NaN,"",allphn,"",,cpd00742,MNXM1122,,63482,,,,"",
alltn,"Allantoin",C4H6N4O3,0,158.1154,158.0439901,C01551,204,15676,HMDB0000462,"",,alltn,FDB001613,199,"R--ALLANTOIN",alltn,"Allantoin",,cpd01092,MNXM612,C00007468,89,97-59-6,DTXSID3020043,POJWUDADGALRAB-UHFFFAOYSA-N,"InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)",[H]N([H])C(=O)N([H])C1([H])N([H])C(=O)N([H])C1=O
alltn_R,"(R)-Allantoin",C4H6N4O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd01567,,,NaN,,,,"",
alltt,"Allantoic acid",C4H7N4O4,-1,176.1307,176.0545548,C00499,203,30837,HMDB0001209,"",,,FDB012646,198,"ALLANTOATE",alltt,"Allantoic_acid",,cpd00388,MNXM584,C00007470,343,99-16-1,DTXSID3059187,NUCLJNSWZCHRKL-UHFFFAOYSA-M,"InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)/p-1",[H]N([H])C(=O)N([H])C([H])(N([H])C(=O)N([H])[H])C([O-])=O
alpa_hs,"Lysophosphatidic Acid",C3H4O5PFULLRCO2,-2,436.526001,436.2589907,,NaN,NaN,,"",alpa_hs,alpa_hs,,NaN,"",alpa_hs,"",,,MNXM8851,,NaN,325465-93-8,DTXSID5041061,WRGQSWVCFNIUNZ-KTKRTIGZSA-N,"InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
alpam,"S-aminomethyldihydrolipoamide",C9H21N2OS2,1,236.398,236.1017047,,24906333,50622,HMDB0006239,"",alpam,alpam,FDB023853,21238679,"",alpam,"",,,MNXM81220,,NaN,,,KALYVIJGKPJBQV-UHFFFAOYSA-O,"InChI=1S/C9H20N2OS2/c10-7-14-6-5-8(13)3-1-2-4-9(11)12/h8,13H,1-7,10H2,(H2,11,12)/p+1",[H]SC([H])(C([H])([H])C([H])([H])SC([H])([H])[N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[H]
alpro,"S-Aminomethyldihydrolipoylprotein",CH6NS2X,1,0,0,C01242,NaN,16882,,"",alpro,alpro,,NaN,"",alpro,"",,cpd11830,MNXM81221,,NaN,,,,"",[H]SC([H])(C([H])([H])C([H])([H])SC([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[*]
altrn,"D-Altronate",C6H11O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",altrn,"",,cpd00608,MNXM2011,,NaN,,,,"",
am19cs,"AM19 (Cyclosporine)",C62H111N11O14,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
am1a4ncs,"AM1A4N (Cyclosporine)",C61H106N11O14,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
am1accs,"AM1Ac (Cyclosporine)",C62H108N11O14,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
am1acs,"AM1A (Cyclosporine)",C62H108N11O14,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
am1alcs,"AM1AL (Cyclosporine)",C62H109N11O13,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
am1c4n9cs,"AM1c4N9 (Cyclosporine)",C61H109N11O14,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
am1c9cs,"AM1c9 (Cyclosporine)",C62H111N11O14,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
am1ccs,"AM1c (Cyclosporine)",C62H111N11O13,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
am1cglc,"AM1c-Glucuronide (Cyclosporine)",C68H118N11O19,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
am1csa,"AM1 (Cyclosporine)",C62H111N11O13,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
am4n9cs,"AM4N9 (Cyclosporine)",C61H109N11O13,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
am4ncs,"AM4N (Cyclosporine)",C61H109N11O12,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
am6sa,"2-Aminomuconic acid semialdehyde",C6H7NO3,0,141.1247,141.0425931,C03824,5280625,15745,HMDB0001280,"",am6sa,am6sa,FDB022532,4444230,"2-AMINOMUCONATE_SEMIALDEHYDE",am6sa,"2-aminomuconate_semialdehyde",,,MNXM788,,6133,245128-91-0,,QCGTZPZKJPTAEP-REDYYMJGSA-N,"InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1-,5-3+",[H]C(=O)C(\[H])=C(\[H])/C(/[H])=C(\C([O-])=O)[N+]([H])([H])[H]
am9csa,"AM9 (Cyclosporine)",C62H111N11O13,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
amet,"S-Adenosylmethionine",C15H23N6O5S,1,399.445,399.1450636,C00019,16757548,15414,HMDB0001185,"S-adenosyl-L-methionine",amet,amet,FDB022473,21169292,"S-ADENOSYLMETHIONINE",amet,"S-Adenosylmethionine",,cpd00017,MNXM16,C00007347,6064,29908-03-0,DTXSID6032019,MEFKEPWMEQBLKI-AIRLBKTGSA-O,"InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])[S+](C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
ametam,"S-Adenosylmethioninamine",C14H24N6O3S,2,0,0,C01137,439415,15625,HMDB0000988,"",ametam,ametam,FDB022353,388529,"S-ADENOSYLMETHIONINAMINE",ametam,"S-Adenosylmethioninamine",,cpd00837,MNXM321,,3501,22365-13-5,,ZUNBITIXDCPNSD-LSRJEVITSA-O,"InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/p+1/t8-,10-,11-,14-,24?/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])[S+](C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
amob,"S-Adenosyl-4-methylthio-2-oxobutanoate",C15H19N5O6S,0,0,0,,NaN,NaN,,"",,,,NaN,"",amob,"",,cpd02701,MNXM3090,,NaN,,,,"",
amopbut_L,"2-Amino-3-oxo-4-phosphonooxybutyrate",C4H6NO7P,-2,0,0,C07335,NaN,77851,,"",,,,NaN,"",,"",,cpd04539,,,NaN,,,,"InChI=1S/C4H8NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h3H,1,5H2,(H,7,8)(H2,9,10,11)/p-2/t3-/m0/s1",
amp,"Adenosine monophosphate",C10H12N5O7P,-2,347.2212,347.0630843,C00020,6083,16027,HMDB0000045,"AMP",amp,amp,FDB021806,5858,"AMP",amp,"Adenosine monophosphate",DB00131,cpd00018,MNXM14,C00019347,5111,61-19-8,DTXSID5022560,UDMBCSSLTHHNCD-KQYNXXCUSA-L,"InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
amuco,"2-Aminomuconic acid",C6H6NO4,-1,157.1241,157.0375077,C02220,5280499,15745,HMDB0001241,"",amuco,amuco,FDB022507,4444139,"2-AMINO-MUCONATE",amuco,"2-aminomuconate_semialdehyde",,cpd01496,MNXM1131,,321,4548-99-6,DTXSID70274256,ZRHONLCTYUYMIQ-TZFCGSKZSA-M,"InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/p-1/b3-1+,4-2-",[H]\C(=C(\[H])C([O-])=O)\C(\[H])=C(\C([O-])=O)[N+]([H])([H])[H]
amylopect900,"Amylopectin",C5400H9002O4501,0,828.7183,828.2746818,C00317,439207,28057,HMDB0003255,"",,,FDB023132,388347,"CPD-7043",,"Amylopectin",,,,,3696,9037-22-3,DTXSID1093880,WMGFVAGNIYUEEP-WUYNJSITSA-N,"",
amylose300,"Amylose (n=300 repeat units, alpha-1,4-glc)",C1800H3002O1501,0,0,0,,NaN,NaN,,"",,,,NaN,"",amylose300,"",,,MNXM148049,,NaN,,,,"",
and19one,"19-Hydroxyandrost-4-Ene-3,17-Dione",C19H26O3,0,302.4140015,302.1881947,,NaN,NaN,,"",,and19one,,NaN,"",,"",,,,,NaN,510-64-5,DTXSID80199007,XGUHPTGEXRHMQQ-CXOXHQNKSA-N,"InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14?,15?,16?,18-,19+/m0/s1",[H]OC([H])([H])[C@@]12C(=C([H])C(=O)C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C1([H])C3([H])C([H])([H])C([H])([H])C(=O)[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])C21[H]
andrstandn,"Androstanedione",C19H28O2,0,288.4244,288.2089301,C00674,222865,15994,HMDB0000899,"",andrstandn,andrstandn,FDB022307,193520,"CPD-342",andrstandn,"Androstanedione",,,MNXM162928,,5855,846-46-8,DTXSID80233576,RAJWOBJTTGJROA-WZNAKSSCSA-N,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1",[H]C([H])([H])[C@@]12C(=O)C([H])([H])C([H])([H])[C@@]1([H])[C@]1([H])C([H])([H])C([H])([H])[C@@]3([H])C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]1([H])C([H])([H])C2([H])[H]
andrstndn,"Androstenedione",C19H26O2,0,286.4085,286.1932801,C00280,6128,16422,HMDB0000053,"",andrstndn,andrstndn,FDB021807,5898,"ANDROST4ENE",andrstndn,"Androstenedione",,cpd00237,MNXM162523,C00003644,2795,63-05-8,DTXSID8024523,AEMFNILZOJDQLW-QAGGRKNESA-N,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",[H]C1=C2C([H])([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])C(=O)[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])C1=O
andrstrn,"Androsterone",C19H30O2,0,290.4403,290.2245802,C00523,12306765,16032,HMDB0000031,"",andrstrn,andrstrn,FDB021881,23931264,"ANDROSTERONE",andrstrn,"Androsterone",,,MNXM162746,,2797,53-41-8,DTXSID3036525,QGXBDMJGAMFCBF-HLUDHZFRSA-N,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])C(=O)[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]23[H])C1([H])[H]
andrstrnglc,"Androsterone glucuronide",C25H38O8,0,466.5644,466.2566682,C11135,114833,28832,HMDB0002829,"",andrstrnglc,andrstrnglc,FDB023070,102793,"Beta-D-Glucuronides",andrstrnglc,"Androsterone_glucuronide",,,MNXM7068,,2796,1852-43-3,,VFUIRAVTUVCQTF-BSOWLZGZSA-N,"InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1",[H]OC(=O)[C@@]1([H])O[C@@]([H])(O[C@]2([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@@]4([H])[C@]5([H])C([H])([H])C([H])([H])C(=O)[C@@]5(C([H])([H])[H])C([H])([H])C([H])([H])[C@]34[H])C2([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
anth,"2-Aminobenzoic acid",C7H6NO2,-1,137.136,137.0476785,C00108,227,30754,HMDB0001123,"",anth,anth,FDB000896,222,"ANTHRANILATE",anth,"Anthranilic acid",DB04166,cpd00093,MNXM188,C00007382,6018,118-92-3,DTXSID8020094,RWZYAGGXGHYGMB-UHFFFAOYSA-M,"InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/p-1",[H]N([H])C1=C(C([H])=C([H])C([H])=C1[H])C([O-])=O
antipyrene,"Antipyrine",C11H12N2O,0,188.2258,188.094963,C13244,2206,31225,HMDB0015503,"",antipyrene,antipyrene,,2121,"",antipyrene,"Phenazone",DB01435,,MNXM10720,,NaN,60-80-0,DTXSID6021117,VEQOALNAAJBPNY-UHFFFAOYSA-N,"InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",[H]C1=C(N(N(C1=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]
ap4a,"Diadenosine tetraphosphate",C20H24N10O19P4,-4,836.387,836.0482648,C01260,21706,17422,HMDB0001211,"",ap4a,,FDB022492,20402,"ADENOSYL-P4",ap4a,"",,cpd00924,MNXM1089,,NaN,5542-28-9,DTXSID60203994,YOAHKNVSNCMZGQ-XPWFQUROSA-J,"InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/p-4/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C(N=C([H])N=C34)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
apio_D,"D-Apiose",C5H10O5,0,150.1299,150.0528234,C01488,NaN,27672,HMDB0029941,"",,,FDB001214,NaN,"",,"",,,,,NaN,639-97-4,,ASNHGEVAWNWCRQ-UHFFFAOYSA-N,"",
apnnox,"Alpha-Pinene-oxide",C10H16O,0,152.2334,152.1201151,C02759,91508,29060,HMDB0003667,"",apnnox,apnnox,FDB023213,82629,"ALPHA-PINENE-OXIDE",apnnox,"",,,MNXM163752,C00034794,6974,1686-14-2,DTXSID5051781,NQFUSWIGRKFAHK-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3",[H]C([H])([H])C12OC1([H])C([H])([H])C1([H])C([H])([H])C2([H])C1(C([H])([H])[H])C([H])([H])[H]
apoACP,"Apoprotein [acyl carrier protein]",RHO,0,0,0,,NaN,NaN,,"",,,,NaN,"",apoACP,"",,cpd12370,MNXM2214,,NaN,,,,"",
apoC,"Apocarboxlase (No Lys Residue)",XH,0,0,0,,NaN,NaN,,"",apoC,apoC,,NaN,"",apoC,"",,,MNXM7077,,NaN,,,,"",
apoC_Lys,"Apoc-Lysine",C6H13N2OX,0,0,0,,NaN,NaN,,"",apoC_Lys,apoC_Lys,,NaN,"",apoC_Lys,"",,cpd12543,MNXM147044,,NaN,,,,"",
apoC_Lys_btn,"Holocarboxylase (Biotin Covalent Bound To Lys Residue Of Apoc)",C16H27N4O3SX,0,0,0,C06250,NaN,NaN,,"",apoC_Lys_btn,apoC_Lys_btn,,NaN,"",apoC_Lys_btn,"",,cpd12848,MNXM147123,,NaN,,,,"",[H]N([*])C(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])SC([H])([H])C2([H])N([H])C(=O)N([H])C12[H]
appl,"1-Amino-propan-2-ol",C3H10NO,1,75.1097,75.06841392,C05771,4,291706,HMDB0012136,"",,,FDB008936,3,"",appl,"",,cpd02039,MNXM1029,,NaN,78-96-6,DTXSID9021764,HXKKHQJGJAFBHI-UHFFFAOYSA-N,"",
applp,"D-1-Aminopropan-2-ol O-phosphate",C3H9NO4P,-1,0,0,C04122,NaN,NaN,,"",,,,NaN,"",applp,"",,cpd02547,MNXM1697,,63967,,,,"",
appnn,"(+)-a-Pinene",C10H16,0,136.238,136.1252005,C09880,6654,36740,HMDB0006525,"",appnn,appnn,FDB013765,6402,"CPD-8754",appnn,"Alpha-Pinene",,,MNXM163755,C00034999,NaN,7785-70-8,DTXSID7041671,GRWFGVWFFZKLTI-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",[H]C1=C(C([H])([H])[H])C2([H])C([H])([H])C([H])(C1([H])[H])C2(C([H])([H])[H])C([H])([H])[H]
aprgstrn,"20a-Dihydroprogesterone",C21H32O2,0,316.4776,316.2402303,C04042,92747,36729,HMDB0003069,"",aprgstrn,aprgstrn,FDB023103,83725,"",aprgstrn,"20-alpha-Dihydroprogesterone",,,MNXM163756,,2125,145-14-2,,RWBRUCCWZPSBFC-RXRZZTMXSA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1",[H]O[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
aprut,"N-Acetylputrescine",C6H15N2O,1,130.1882,130.1106131,C02714,122356,17768,HMDB0002064,"",aprut,aprut,FDB022827,109095,"CPD-569",aprut,"",,,MNXM1153,,3252,18233-70-0,DTXSID80205596,KLZGKIDSEJWEDW-UHFFFAOYSA-O,"InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)/p+1",[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
aps,"Adenosine phosphosulfate",C10H12N5O10PS,-2,427.284,427.0198989,C00224,10238,17709,HMDB0001003,"",aps,aps,FDB022362,9821,"APS",aps,"amps",,cpd00193,MNXM287,C00007445,5933,485-84-7,,IRLPACMLTUPBCL-KQYNXXCUSA-L,"InChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/p-2/t4-,6-,7-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OS([O-])(=O)=O)[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
aqcobal,"Aquacobalamin",C62H93CoN13O15P,0,1347.3631,1346.574896,C00992,NaN,15852,HMDB0003458,"",aqcobal,aqcobal,FDB023178,NaN,"AQUACOBIIIALAMIN",aqcobal,"",,,MNXM92126,,NaN,,,YOZNUFWCRFCGIH-WZHZPDAFSA-L,"InChI=1S/C62H90N13O14P.Co.H2O/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2/q;+3;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(n2c([H])[nH]c3c([H])c(c(c([H])c23)C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])(=O)O[C@]([H])(C([H])([H])[H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])[C@]1(\C2=C(\C3=N\C(=C([H])/C4=NC(=C(C5=N[C@@](C([H])([H])[H])([C@]([H])(N2[Co+][O+]([H])[H])[C@]1([H])C([H])([H])C(=O)N([H])[H])[C@@](C([H])([H])[H])(C([H])([H])C(=O)N([H])[H])[C@]5([H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])[C@@](C([H])([H])[H])(C([H])([H])C(=O)N([H])[H])[C@]4([H])C([H])([H])C([H])([H])C(=O)N([H])[H])\C(C([H])([H])[H])(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])C([H])([H])[H]
ara5p,"D-Arabinose 5-phosphate",C5H9O8P,-2,0,0,,NaN,NaN,HMDB0011734,"",,,,NaN,"",ara5p,"",,cpd00817,MNXM1184,,NaN,,,,"",
arab_D,"D-Arabinose",C5H10O5,0,0,0,,NaN,NaN,HMDB0029942,"",,,,NaN,"",arab__D,"",,cpd00185,MNXM544,,NaN,,,,"",
arab_L,"L-Arabinose",C5H10O5,0,150.1299,150.0528234,C00259,439195,17535,HMDB0000646,"",arab_L,arab_L,FDB012306,388335,"",arab__L,"Arabinose",,cpd00224,MNXM91126,,5474,5328-37-0,DTXSID9039733,SRBFZHDQGSBBOR-HWQSCIPKSA-N,"InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m0/s1",[H]OC1([H])OC([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
arabinan101,"Arabinan, polymer of 1,5-a-L-linked arabinofuranose units substituted by 1,3 or 1,2 linked branches, MW ~ 15000 Da (REF: www.meg... <Preview truncated at 128 characters>",C509H812O410,-2,0,0,C02474,NaN,NaN,,"",,,,NaN,"",,"",,cpd12115,,,NaN,,,,"",
arabinogal,"Larch arabinogalactan, gal/ara 6:1, small amount of glcur, MW ~ 116000",C3862H6376O3218,0,0,0,C00569,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
arabinoxyl,"Arabinoxylan, 30 xyl_D, 18 arab_L, 3 gal, 3 glc_D",C276H446O223,0,0,0,G03769,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
arabt_L,"L-Arabinonate",C5H9O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd00427,,,NaN,,,,"",
arabttr,"Arabinotriose",C15H26O13,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
arach,"Arachidic acid",C20H39O2,-1,312.5304,312.3028305,C06425,10467,28822,HMDB0002212,"",arach,arach,FDB002927,10035,"ARACHIDIC_ACID",arach,"Arachidic acid",,cpd03848,MNXM2976,C00001209,401,506-30-9,DTXSID1060134,VKOBVWXKNCXXDE-UHFFFAOYSA-M,"InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
arachcoa,"Eicosanoyl-CoA",C41H70N7O17P3S,-4,1062.049,1061.407474,C02041,16061151,15527,HMDB0004258,"icosanoyl-CoA",arachcoa,arachcoa,FDB023354,17220830,"ICOSANOYL-COA",arachcoa,"",,cpd01393,MNXM3215,,NaN,15895-27-9,,JYLSVNBJLYCSSW-IBYUJNRCSA-J,"InChI=1S/C41H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h28-30,34-36,40,51-52H,4-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/t30-,34-,35-,36+,40-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
arachcrn,"Eicosanoylcarnitine",C27H53NO4,0,0,0,,53477833,73100,HMDB0006460,"",arachcrn,arachcrn,FDB023920,28639199,"",arachcrn,"",,,MNXM8319,,NaN,,,SVJLJQBGUITFLI-UHFFFAOYSA-N,"InChI=1S/C27H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h25H,5-24H2,1-4H3",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
arachd,"Arachidonic acid",C20H31O2,-1,304.4669,304.2402303,C00219,444899,15843,HMDB0001043,"Arachidonic acid;arachidonic acid",arachd,arachd,FDB011872,392692,"ARACHIDONIC_ACID",arachd,"Arachidonic acid",DB04557,cpd00188,MNXM162250,C00000388,193,506-32-1,DTXSID4040420,YZXBAPSDXZZRGB-DOFZRALJSA-M,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-,16-15-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
arachdcoa,"Arachidonyl-CoA",C41H62N7O17P3S,-4,1053.986,1053.344874,C02249,16061152,NaN,HMDB0006523,"arachidonoyl-CoA",arachdcoa,arachdcoa,FDB023958,17220831,"",arachdcoa,"",,cpd01519,MNXM90403,,NaN,17046-56-9,,JDEPVTUUCBFJIW-CBDUQTIMSA-J,"InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
arachdcrn,"C20:4 Carnitine",C27H45NO4,0,0,0,,NaN,NaN,,"",arachdcrn,arachdcrn,,NaN,"",arachdcrn,"",,,MNXM8358,,NaN,,,HIVCWXCOIPSVAX-VNJAOWETSA-O,"InChI=1S/C31H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h13-14,16-17,19-20,22-23,29H,5-12,15,18,21,24-28H2,1-4H3/p+1/b14-13-,17-16-,20-19-,23-22?",[H]OC(=O)C([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
aracheth,"O-Arachidonoyl Ethanolamine",C22H38NO2,1,0,0,,NaN,NaN,,"",,aracheth,,NaN,"",,"",,,,,NaN,,,DLHLOYYQQGSXCC-CDIMZWLNSA-O,"InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/p+1/b7-6-,10-9-,13-12-,16-15?",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
arbt,"Arbutin",C12H16O7,0,272.2512,272.0896029,C06186,346,18305,HMDB0029943,"",,,FDB001221,339,"",arbt,"Arbutin",,cpd03696,MNXM2683,C00002638,NaN,497-76-7,DTXSID7040152,BJRNKVDFDLYUGJ-UHFFFAOYSA-N,"",
arbt6p,"Arbutin 6-phosphate",C12H15O10P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",arbt6p,"",,cpd03697,MNXM2806,,NaN,,,,"",
arg_D,"D-Arginine",C6H15N4O2,1,174.201,174.1116757,C00792,71070,15816,HMDB0003416,"",,arg_D,FDB023167,64224,"CPD-220",arg__D,"Arginine",DB00125,cpd00586,MNXM1552,,6924,157-06-2,DTXSID40883354,ODKSFYDXXFIFQN-SCSAIBSYSA-O,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1",[H]N([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])=[N+]([H])[H]
arg_L,"L-Arginine",C6H15N4O2,1,174.201,174.1116757,C00062,6322,16467,HMDB0000517,"L-Arg",arg_L,arg_L,FDB002257,6082,"ARG",arg__L,"L-Arginine",DB00125,cpd00051,MNXM70,C00001340,5502,74-79-3,DTXSID6041056,ODKSFYDXXFIFQN-BYPYZUCNSA-O,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1",[H]N([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])=[N+]([H])[H]
argalaala,"Arginyl-Alanyl-Alanine",C12H25N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OOBVTWHLKYJFJH-FXQIFTODSA-N,"InChI=1S/C12H24N6O4/c1-6(9(19)18-7(2)11(21)22)17-10(20)8(13)4-3-5-16-12(14)15/h6-8H,3-5,13H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)(H4,14,15,16)/t6-,7-,8-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])[H])C([H])([H])[H]
argalaphe,"Arginyl-Alanine-Phenylalanine",C18H29N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SBVJJNJLFWSJOV-IACUBPJLSA-O,"InChI=1S/C18H28N6O4/c1-11(23-16(26)13(19)8-5-9-22-18(20)21)15(25)24-14(17(27)28)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10,19H2,1H3,(H,23,26)(H,24,25)(H,27,28)(H4,20,21,22)/p+1/t11-,13+,14+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
argalathr,"Arginyl-Alanyl-Threonine",C13H27N6O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OTOXOKCIIQLMFH-KKVHJZIVSA-O,"InChI=1S/C13H26N6O5/c1-6(10(21)19-9(7(2)20)12(23)24)18-11(22)8(14)4-3-5-17-13(15)16/h6-9,20H,3-5,14H2,1-2H3,(H,18,22)(H,19,21)(H,23,24)(H4,15,16,17)/p+1/t6-,7?,8+,9+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])[H])C([H])(O[H])C([H])([H])[H]
argarg,"Arginyl-Arginine",C12H28N8O3,2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OMLWNBVRVJYMBQ-JGVFFNPUSA-P,"InChI=1S/C12H26N8O3/c13-7(3-1-5-18-11(14)15)9(21)20-8(10(22)23)4-2-6-19-12(16)17/h7-8H,1-6,13H2,(H,20,21)(H,22,23)(H4,14,15,18)(H4,16,17,19)/p+2/t7-,8+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
argarglys,"Arginyl-Arginyl-Lysine",C18H41N10O4,3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HJVGMOYJDDXLMI-XQQFMLRXSA-Q,"InChI=1S/C18H38N10O4/c19-8-2-1-6-13(16(31)32)28-15(30)12(7-4-10-26-18(23)24)27-14(29)11(20)5-3-9-25-17(21)22/h11-13H,1-10,19-20H2,(H,27,29)(H,28,30)(H,31,32)(H4,21,22,25)(H4,23,24,26)/p+3/t11-,12+,13-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
argargmet,"Arginyl-Arginyl-Metheonine",C17H37N9O4S,2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HJWQFFYRVFEWRM-TUAOUCFPSA-P,"InChI=1S/C17H35N9O4S/c1-31-9-6-12(15(29)30)26-14(28)11(5-3-8-24-17(21)22)25-13(27)10(18)4-2-7-23-16(19)20/h10-12H,2-9,18H2,1H3,(H,25,27)(H,26,28)(H,29,30)(H4,19,20,23)(H4,21,22,24)/p+2/t10-,11+,12-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H]
argcysgly,"Arginyl-Cystinyl-Glycine",C11H23N6O4S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YUGFLWBWAJFGKY-NKWVEPMBSA-O,"InChI=1S/C11H22N6O4S/c12-6(2-1-3-15-11(13)14)9(20)17-7(5-22)10(21)16-4-8(18)19/h6-7,22H,1-5,12H2,(H,16,21)(H,17,20)(H,18,19)(H4,13,14,15)/p+1/t6-,7+/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])S[H]
argcysser,"Arginyl-Cystinyl-Serine",C12H25N6O5S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JVMKBJNSRZWDBO-BIIVOSGPSA-O,"InChI=1S/C12H24N6O5S/c13-6(2-1-3-16-12(14)15)9(20)18-8(5-24)10(21)17-7(4-19)11(22)23/h6-8,19,24H,1-5,13H2,(H,17,21)(H,18,20)(H,22,23)(H4,14,15,16)/p+1/t6-,7-,8+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])S[H])C([H])([H])O[H]
arggluglu,"Arginyl-Glutamyl-Glutamate",C16H27N6O8,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PNQWAUXQDBIJDY-AEJSXWLSSA-M,"InChI=1S/C16H28N6O8/c17-8(2-1-7-20-16(18)19)13(27)21-9(3-5-11(23)24)14(28)22-10(15(29)30)4-6-12(25)26/h8-10H,1-7,17H2,(H,21,27)(H,22,28)(H,23,24)(H,25,26)(H,29,30)(H4,18,19,20)/p-1/t8-,9+,10-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O
argglupro,"Arginyl-Glutamyl-Proline",C16H28N6O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HPSVTWMFWCHKFN-AXFHLTTASA-N,"InChI=1S/C16H28N6O6/c17-9(3-1-7-20-16(18)19)13(25)21-10(5-6-12(23)24)14(26)22-8-2-4-11(22)15(27)28/h9-11H,1-8,17H2,(H,21,25)(H,23,24)(H,27,28)(H4,18,19,20)/t9-,10+,11-/m0/s1",[H]OC(=O)[C@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C1([H])[H]
argglygly,"Arginyl-Glycyl-Glycine",C10H21N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,CYXCAHZVPFREJD-LURJTMIESA-O,"InChI=1S/C10H20N6O4/c11-6(2-1-3-14-10(12)13)9(20)16-4-7(17)15-5-8(18)19/h6H,1-5,11H2,(H,15,17)(H,16,20)(H,18,19)(H4,12,13,14)/p+1/t6-/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
arghisthr,"Arginyl-Histidyl-Threonine",C16H29N8O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,CVKOQHYVDVYJSI-QTKMDUPCSA-N,"InChI=1S/C16H28N8O5/c1-8(25)12(15(28)29)24-14(27)11(5-9-6-20-7-22-9)23-13(26)10(17)3-2-4-21-16(18)19/h6-8,10-12,25H,2-5,17H2,1H3,(H,20,22)(H,23,26)(H,24,27)(H,28,29)(H4,18,19,21)/t8-,10+,11+,12+/m1/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])[C@]([H])(O[H])C([H])([H])[H]
argleuphe,"Arginyl-Leucyl-Phenylalanine",C21H35N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,IIAXFBUTKIDDIP-BBWFWOEESA-O,"InChI=1S/C21H34N6O4/c1-13(2)11-16(26-18(28)15(22)9-6-10-25-21(23)24)19(29)27-17(20(30)31)12-14-7-4-3-5-8-14/h3-5,7-8,13,15-17H,6,9-12,22H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)(H4,23,24,25)/p+1/t15-,16+,17-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
arglysasp,"Arginyl-Lysyl-Aspartate",C16H32N7O6,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MJINRRBEMOLJAK-AXFHLTTASA-O,"InChI=1S/C16H31N7O6/c17-6-2-1-5-10(14(27)23-11(15(28)29)8-12(24)25)22-13(26)9(18)4-3-7-21-16(19)20/h9-11H,1-8,17-18H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H4,19,20,21)/p+1/t9-,10+,11-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C([O-])=O
argphearg,"Arginyl-Phenylalanine-Arginine",C21H37N9O4,2,0,0,,NaN,NaN,,"",,argphearg,,NaN,"",,"",,,,,NaN,,,INXWADWANGLMPJ-HRCADAONSA-P,"InChI=1S/C21H35N9O4/c22-14(8-4-10-27-20(23)24)17(31)30-16(12-13-6-2-1-3-7-13)18(32)29-15(19(33)34)9-5-11-28-21(25)26/h1-3,6-7,14-16H,4-5,8-12,22H2,(H,29,32)(H,30,31)(H,33,34)(H4,23,24,27)(H4,25,26,28)/p+2/t14-,15-,16+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
argpromet,"Arginyl-Prolyl-Methionine",C16H31N6O4S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JJIBHAOBNIFUEL-SDDRHHMPSA-O,"InChI=1S/C16H30N6O4S/c1-27-9-6-11(15(25)26)21-13(23)12-5-3-8-22(12)14(24)10(17)4-2-7-20-16(18)19/h10-12H,2-9,17H2,1H3,(H,21,23)(H,25,26)(H4,18,19,20)/p+1/t10-,11-,12+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H]
argprothr,"Arginyl-Prolyl-Threonine",C15H29N6O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,AWMAZIIEFPFHCP-VKRYWUJJSA-O,"InChI=1S/C15H28N6O5/c1-8(22)11(14(25)26)20-12(23)10-5-3-7-21(10)13(24)9(16)4-2-6-19-15(17)18/h8-11,22H,2-7,16H2,1H3,(H,20,23)(H,25,26)(H4,17,18,19)/p+1/t8-,9-,10?,11-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)C1([H])N(C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C1([H])[H])[C@]([H])(O[H])C([H])([H])[H]
argserser,"Arginyl-Seryl-Serine",C12H25N6O6,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,FRBAHXABMQXSJQ-RNJXMRFFSA-O,"InChI=1S/C12H24N6O6/c13-6(2-1-3-16-12(14)15)9(21)17-7(4-19)10(22)18-8(5-20)11(23)24/h6-8,19-20H,1-5,13H2,(H,17,21)(H,18,22)(H,23,24)(H4,14,15,16)/p+1/t6-,7+,8-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])O[H])C([H])([H])O[H]
argsuc,"Argininosuccinic acid",C10H17N4O6,-1,290.2731,290.1226343,C03406,16950,15682,HMDB0000052,"",argsuc,argsuc,FDB021885,16059,"",argsuc,"Argininosuccinic acid",,cpd02152,MNXM550,C00019688,5115,2387-71-5,DTXSID80178574,KDZOASGQNOPSCU-ZBHICJROSA-M,"InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/p-1/t5-,6?/m0/s1",[H]N(C(N([H])C([H])(C([O-])=O)C([H])([H])C([O-])=O)=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
argtyrval,"Argtyrval",C20H33N6O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XMZZGVGKGXRIGJ-XHSDSOJGSA-O,"InChI=1S/C20H32N6O5/c1-11(2)16(19(30)31)26-18(29)15(10-12-5-7-13(27)8-6-12)25-17(28)14(21)4-3-9-24-20(22)23/h5-8,11,14-16,27H,3-4,9-10,21H2,1-2H3,(H,25,28)(H,26,29)(H,30,31)(H4,22,23,24)/p+1/t14-,15+,16-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]
argvalcys,"Arginyl-Valyl-Cysteine",C14H29N6O4S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,FTMRPIVPSDVGCC-LPEHRKFASA-O,"InChI=1S/C14H28N6O4S/c1-7(2)10(12(22)19-9(6-25)13(23)24)20-11(21)8(15)4-3-5-18-14(16)17/h7-10,25H,3-6,15H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)(H4,16,17,18)/p+1/t8-,9-,10+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])S[H]
argvaltrp,"Arginyl-Valyl-Tryptophan",C22H34N7O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UTSMXMABBPFVJP-RYQLBKOJSA-O,"InChI=1S/C22H33N7O4/c1-12(2)18(29-19(30)15(23)7-5-9-26-22(24)25)20(31)28-17(21(32)33)10-13-11-27-16-8-4-3-6-14(13)16/h3-4,6,8,11-12,15,17-18,27H,5,7,9-10,23H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)(H4,24,25,26)/p+1/t15-,17-,18+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12
arsenb,"Arsenobetaine",C5H12AsO2,0,0,0,,NaN,NaN,HMDB0033206,"",,,,NaN,"",arsenb,"",,cpd11597,MNXM163758,,NaN,,,,"",
ascb_L,"Ascorbic acid",C6H7O6,-1,176.1241,176.032088,C00072,54670067,17208,HMDB0000044,"",ascb_L,ascb_L,FDB001224,10189562,"ASCORBATE",ascb__L,"Ascorbic acid",DB00126,cpd00059,MNXM89592,C00001179,3753,50-81-7,DTXSID5020106,CIWBSHSKHKDKBQ-JLAZNSOCSA-M,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/p-1/t2-,5+/m0/s1",[H]OC1=C([O-])[C@]([H])(OC1=O)[C@@]([H])(O[H])C([H])([H])O[H]
ascb6p,"L-ascorbate-6-phosphate",C6H7O9P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",ascb6p,"",,cpd14905,MNXM2689,,NaN,,,,"",
asn_L,"L-Asparagine",C4H8N2O3,0,132.1179,132.0534921,C00152,6267,17196,HMDB0000168,"",asn_L,asn_L,FDB000787,6031,"ASN",asn__L,"Asn",DB03943,cpd00132,MNXM147,C00001341,14,70-47-3,DTXSID10883220,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",[H]N([H])C(=O)C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
Asn_X_Ser_Thr,"Protein Asparagine",XH,0,0,0,C03021,NaN,NaN,,"",Asn_X_Ser_Thr,Asn_X_Ser_Thr,,NaN,"",Asn_X_Ser_Thr,"",,,MNXM145923,,NaN,,,,"",[H]N([H])C(=O)C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
asnasnarg,"Asparaginyl-Asparaginyl-Arginine",C14H27N8O6,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HAJWYALLJIATCX-BIIVOSGPSA-O,"InChI=1S/C14H26N8O6/c15-6(4-9(16)23)11(25)22-8(5-10(17)24)12(26)21-7(13(27)28)2-1-3-20-14(18)19/h6-8H,1-5,15H2,(H2,16,23)(H2,17,24)(H,21,26)(H,22,25)(H,27,28)(H4,18,19,20)/p+1/t6-,7-,8+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
asncyscys,"Asparaginyl-Cysteinyl-Cysteine",C10H18N4O5S2,0,0,0,,NaN,NaN,,"",,asncyscys,,NaN,"",,"",,,,,NaN,,,RFLVTVBAESPKKR-ZLUOBGJFSA-N,"InChI=1S/C10H18N4O5S2/c11-4(1-7(12)15)8(16)13-5(2-20)9(17)14-6(3-21)10(18)19/h4-6,20-21H,1-3,11H2,(H2,12,15)(H,13,16)(H,14,17)(H,18,19)/t4-,5-,6-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])S[H])C([H])([H])S[H]
asnmetpro,"Asparaginyl-Methionyl-Proline",C14H24N4O5S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WCRQQIPFSXFIRN-QIIDTADFSA-N,"InChI=1S/C14H24N4O5S/c1-24-6-4-9(17-12(20)8(15)7-11(16)19)13(21)18-5-2-3-10(18)14(22)23/h8-10H,2-7,15H2,1H3,(H2,16,19)(H,17,20)(H,22,23)/t8-,9+,10?/m0/s1",[H]OC(=O)C1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]
asnpheasp,"Asparaginyl-Phenylalanyl-Aspartate",C17H21N4O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LSJQOMAZIKQMTJ-TUAOUCFPSA-M,"InChI=1S/C17H22N4O7/c18-10(7-13(19)22)15(25)20-11(6-9-4-2-1-3-5-9)16(26)21-12(17(27)28)8-14(23)24/h1-5,10-12H,6-8,18H2,(H2,19,22)(H,20,25)(H,21,26)(H,23,24)(H,27,28)/p-1/t10-,11+,12-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([O-])=O
asnphecys,"Asparaginyl-Phenylalanyl-Cysteine",C16H22N4O5S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BSBNNPICFPXDNH-TUAOUCFPSA-N,"InChI=1S/C16H22N4O5S/c17-10(7-13(18)21)14(22)19-11(6-9-4-2-1-3-5-9)15(23)20-12(8-26)16(24)25/h1-5,10-12,26H,6-8,17H2,(H2,18,21)(H,19,22)(H,20,23)(H,24,25)/t10-,11+,12-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])S[H]
asntyrgly,"Asparaginyl-Tyrosyl-Glycine",C15H20N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YSYTWUMRHSFODC-WDEREUQCSA-N,"InChI=1S/C15H20N4O6/c16-10(6-12(17)21)14(24)19-11(15(25)18-7-13(22)23)5-8-1-3-9(20)4-2-8/h1-4,10-11,20H,5-7,16H2,(H2,17,21)(H,18,25)(H,19,24)(H,22,23)/t10-,11+/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
asntyrphe,"Asparaginyl-Tyrosyl-Phenylalanine",C22H26N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,QUCCLIXMVPIVOB-KSZLIROESA-N,"InChI=1S/C22H26N4O6/c23-16(12-19(24)28)20(29)25-17(10-14-6-8-15(27)9-7-14)21(30)26-18(22(31)32)11-13-4-2-1-3-5-13/h1-9,16-18,27H,10-12,23H2,(H2,24,28)(H,25,29)(H,26,30)(H,31,32)/t16-,17+,18-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
asntyrthr,"Asparaginyl-Tyrosyl-Threonine",C17H24N4O7,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XEGZSHSPQNDNRH-RBQWDTSBSA-N,"InChI=1S/C17H24N4O7/c1-8(22)14(17(27)28)21-16(26)12(6-9-2-4-10(23)5-3-9)20-15(25)11(18)7-13(19)24/h2-5,8,11-12,14,22-23H,6-7,18H2,1H3,(H2,19,24)(H,20,25)(H,21,26)(H,27,28)/t8-,11+,12-,14+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])[C@@]([H])(O[H])C([H])([H])[H]
aso3,"Arsenite",AsO3,-3,0,0,C06697,544,29866,HMDB0011620,"",,,,NaN,"",aso3,"",,cpd04098,MNXM658,,NaN,,,,"",
aso4,"Arsenate",AsO4,-3,141.943,141.92473,C01478,234,18231,HMDB0012190,"",,,FDB028842,229,"ARSENATE",aso4,"Arsenate",,cpd01048,MNXM970,,NaN,15584-04-0,,DJHGAFSJWGLOIV-UHFFFAOYSA-N,"",
asp_D,"D-Aspartate",C4H6NO4,-1,133.1029968,133.0375077,C00402,83887,17364,HMDB000648,"",asp_D,asp_D,,NaN,"",asp__D,"",,,MNXM974,,63097,1783-96-6,DTXSID2045650,CKLJMWTZIZZHCS-UWTATZPHSA-M,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m1/s1",[H][N+]([H])([H])[C@@]([H])(C([O-])=O)C([H])([H])C([O-])=O
asp_L,"L-Aspartic acid",C4H6NO4,-1,133.1027,133.0375077,C00049,5960,17053,HMDB0000191,"",asp_L,asp_L,FDB012567,5745,"L-ASPARTATE",asp__L,"Asp",,cpd00041,MNXM42,C00001342,5206,56-84-8,DTXSID7022621,CKLJMWTZIZZHCS-REOHCLBHSA-M,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1",[H][N+]([H])([H])[C@]([H])(C([O-])=O)C([H])([H])C([O-])=O
aspalaarg,"Asparaginyl-Alanyl-Arginine",C13H24N6O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UWMIZBCTVWVMFI-XLPZGREQSA-N,"InChI=1S/C13H24N6O6/c1-6(18-11(23)7(14)5-9(20)21)10(22)19-8(12(24)25)3-2-4-17-13(15)16/h6-8H,2-5,14H2,1H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)(H4,15,16,17)/t6-,7+,8+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([O-])=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
aspasnglu,"Aspartyl-Asparaginyl-Glutamate",C13H18N4O9,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ZELQAFZSJOBEQS-LYFYHCNISA-L,"InChI=1S/C13H20N4O9/c14-5(3-10(21)22)11(23)17-7(4-8(15)18)12(24)16-6(13(25)26)1-2-9(19)20/h5-7H,1-4,14H2,(H2,15,18)(H,16,24)(H,17,23)(H,19,20)(H,21,22)(H,25,26)/p-2/t5-,6-,7+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([O-])=O)C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([O-])=O
aspglu,"Aspartyl-Glutamate",C9H12N2O7,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,CKAJHWFHHFSCDT-ROLXFIACSA-L,"InChI=1S/C9H14N2O7/c10-4(3-7(14)15)8(16)11-5(9(17)18)1-2-6(12)13/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)/p-2/t4-,5?/m0/s1",[H]OC(=O)C([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O
aspglupro,"Aspartyl-Glutamyl-Proline",C14H19N3O8,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ZEDBMCPXPIYJLW-UEJVZZJDSA-L,"InChI=1S/C14H21N3O8/c15-7(6-11(20)21)12(22)16-8(3-4-10(18)19)13(23)17-5-1-2-9(17)14(24)25/h7-9H,1-6,15H2,(H,16,22)(H,18,19)(H,20,21)(H,24,25)/p-2/t7-,8?,9?/m0/s1",[H]OC(=O)C1([H])N(C(=O)C([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C1([H])[H]
aspglutrp,"Aspartyl-Glutamyl-Tryptophan",C20H22N4O8,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GISFCCXBVJKGEO-CFVMTHIKSA-L,"InChI=1S/C20H24N4O8/c21-12(8-17(27)28)18(29)23-14(5-6-16(25)26)19(30)24-15(20(31)32)7-10-9-22-13-4-2-1-3-11(10)13/h1-4,9,12,14-15,22H,5-8,21H2,(H,23,29)(H,24,30)(H,25,26)(H,27,28)(H,31,32)/p-2/t12-,14+,15-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]
asphiscys,"Aspartyl-Histidyl-Cysteine",C13H18N5O6S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,CMCIMCAQIULNDJ-YIZRAAEISA-M,"InChI=1S/C13H19N5O6S/c14-7(2-10(19)20)11(21)17-8(1-6-3-15-5-16-6)12(22)18-9(4-25)13(23)24/h3,5,7-9,25H,1-2,4,14H2,(H,15,16)(H,17,21)(H,18,22)(H,19,20)(H,23,24)/p-1/t7-,8+,9-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([O-])=O)C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])S[H]
asphispro,"Aspartyl-Histidyl-Proline",C15H20N5O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UBPMOJLRVMGTOQ-HBNTYKKESA-M,"InChI=1S/C15H21N5O6/c16-9(5-12(21)22)13(23)19-10(4-8-6-17-7-18-8)14(24)20-3-1-2-11(20)15(25)26/h6-7,9-11H,1-5,16H2,(H,17,18)(H,19,23)(H,21,22)(H,25,26)/p-1/t9-,10+,11+/m0/s1",[H]N(C(=O)[C@]([H])([N+]([H])([H])[H])C([H])([H])C([O-])=O)[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([O-])=O)C([H])([H])C1=C([H])N([H])C([H])=N1
asplysglu,"Aspartyl-Lysyl-Glutamate",C15H25N4O8,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VSMYBNPOHYAXSD-AEJSXWLSSA-M,"InChI=1S/C15H26N4O8/c16-6-2-1-3-9(18-13(24)8(17)7-12(22)23)14(25)19-10(15(26)27)4-5-11(20)21/h8-10H,1-7,16-17H2,(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/p-1/t8-,9+,10-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O
asplyshis,"Aspartyl-Lysyl-Histidine",C16H26N6O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,AKKUDRZKFZWPBH-TUAOUCFPSA-N,"InChI=1S/C16H26N6O6/c17-4-2-1-3-11(21-14(25)10(18)6-13(23)24)15(26)22-12(16(27)28)5-9-7-19-8-20-9/h7-8,10-12H,1-6,17-18H2,(H,19,20)(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t10-,11+,12-/m0/s1",[H]N(C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])([N+]([H])([H])[H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])[C@@]([H])(C([O-])=O)C([H])([H])C1=C([H])N([H])C([H])=N1
aspmetasp,"Aspartyl-Methionyl-Aspartate",C13H19N3O8S,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WWOYXVBGHAHQBG-RNJXMRFFSA-L,"InChI=1S/C13H21N3O8S/c1-25-3-2-7(15-11(21)6(14)4-9(17)18)12(22)16-8(13(23)24)5-10(19)20/h6-8H,2-5,14H2,1H3,(H,15,21)(H,16,22)(H,17,18)(H,19,20)(H,23,24)/p-2/t6-,7+,8-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([O-])=O
aspprolys,"Aspartyl-Prolyl-Lysine",C15H26N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UAXIKORUDGGIGA-DCAQKATOSA-N,"InChI=1S/C15H26N4O6/c16-6-2-1-4-10(15(24)25)18-13(22)11-5-3-7-19(11)14(23)9(17)8-12(20)21/h9-11H,1-8,16-17H2,(H,18,22)(H,20,21)(H,24,25)/t9-,10-,11-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)[C@]([H])(N([H])[H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
aspsa,"L-Aspartate 4-semialdehyde",C4H7NO3,0,0,0,,NaN,NaN,,"",,,,NaN,"",aspsa,"",,cpd00346,MNXM361,,NaN,,,,"",
aspvalasn,"Aspartyl-Valyl-Asparagine",C13H21N4O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PLOKOIJSGCISHE-MHYGZLNHSA-M,"InChI=1S/C13H22N4O7/c1-5(2)10(17-11(21)6(14)3-9(19)20)12(22)16-7(13(23)24)4-8(15)18/h5-7,10H,3-4,14H2,1-2H3,(H2,15,18)(H,16,22)(H,17,21)(H,19,20)(H,23,24)/p-1/t6-,7-,10+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([O-])=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H]
atnodp,"All-trans-Nonaprenyl diphosphate; solanesyl diphosphate",C45H73O7P2,-3,0,0,C04145,6830,18144,,"",,,,NaN,"",,"",,cpd02172,,,3694,,,,"InChI=1S/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,29,31,33,35H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,49,50)(H2,46,47,48)/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+",
atp,"Adenosine triphosphate",C10H12N5O13P3,-4,507.1809998,506.9957466,C00002,5957,15422,HMDB0000538,"ATP",atp,atp,FDB021813,5742,"ATP",atp,"Adenosine triphosphate",DB00171,cpd00002,MNXM3,C00001491,5523,56-65-5,DTXSID6022559,ZKHQWZAMYRWXGA-KQYNXXCUSA-J,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
atvacid,"Atorvastatin (Acid Form)",C33H34FN2O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
atvacylgluc,"Atorvastatin-Acyl-Glucuronide / G2",C39H42FN2O11,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
atvethgluc,"Atorvastatin-Ether-Glucuronide / G1",C45H48FN2O17,-3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
atvlac,"Atorvastatin (Lactone Form)",C33H33FN2O4,0,0,0,D07474,60823,39548,,"",,,,54810,"",,"Atorvastatin",APRD00055,,,,NaN,134523-00-5,,,"",
atvlacgluc,"Atorvastatin-Lactone-Ether-Glucuronide / G3",C39H40FN2O10,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
avite1,"Alpha-Tocopherol",C29H50O2,0,430.7061,430.3810808,C02477,14985,18145,HMDB0001893,"",avite1,,FDB000565,14265,"CPD-1125",avite1,"Vitamin E",DB00163,,MNXM2741,C00007366,6376,59-02-9,DTXSID0026339,GVJHHUAWPYXKBD-IEOSBIPESA-N,"InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1",[H]OC1=C(C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
avite2,"Alpha-Tocotrienol",C29H44O2,0,424.6585,424.3341307,C14153,5282347,33270,HMDB0006327,"",avite2,avite2,FDB002434,4445512,"",avite2,"Alpha-Tocotrienol",,,MNXM162932,C00035044,NaN,1721-51-3,DTXSID30862739,RZFHLOLGZPDCHJ-XZXLULOTSA-N,"InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1",[H]OC1=C(C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
b2coa,"Crotonoyl-CoA",C25H36N7O17P3S,-4,835.608,835.1414231,C00877,5280381,15473,HMDB0002009,"crotonoyl-CoA",b2coa,b2coa,FDB022792,4444072,"CPD-1083",b2coa,"Crotonyl-coenzyme A",,cpd00650,MNXM214,,440,102680-35-3,,KFWWCMJSYSSPSK-MIZOYAPFSA-J,"InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/b5-4+/t14-,18-,19-,20+,24-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
bamppald,"3-Aminopropionaldehyde",C3H8NO,1,73.0938,73.05276385,C05665,75,18090,HMDB0001106,"",bamppald,bamppald,FDB022427,74,"3-AMINO-PROPANAL",bamppald,"",,cpd01504,MNXM43758,,6007,352-92-1,DTXSID10188702,PCXDJQZLDDHMGX-UHFFFAOYSA-O,"InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2/p+1",[H]C(=O)C([H])([H])C([H])([H])[N+]([H])([H])[H]
band,"Band Membrane Protein (Universal, Erythrocyte --> 2.1,3,4.1)",BaH,0,0,0,,NaN,NaN,,"",,band,,NaN,"",band,"",,,MNXM148099,,NaN,,,,"",
bandmt,"Band Membrane Protein (Methylated, Universal, Erythrocyte -> 2.1,3,4.1)",BaCH3,0,0,0,,NaN,NaN,,"",,bandmt,,NaN,"",bandmt,"",,,MNXM148098,,NaN,,,,"",
bbtcoa,"Gamma-butyrobetainyl-CoA",C28H46N8O17P3S,-3,0,0,,NaN,NaN,,"",,,,NaN,"",bbtcoa,"",,,MNXM5762,,NaN,,,,"",
bdg2hc,"cis-beta-D-Glucosyl-2-hydroxycinnamate",C15H18O8,0,326.2986,326.1001676,C05839,5316113,62251,HMDB0060077,"",,,,22912899,"CPD-7417",bdg2hc,"",,cpd03469,MNXM3238,,NaN,,,GVRIYIMNJGULCZ-QLFWQTQQSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5-/t10-,12-,13+,14-,15-/m1/s1",[H]OC(=O)C(\[H])=C(\[H])C1=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])C([H])=C([H])C([H])=C1[H]
betald,"Betaine aldehyde",C5H12NO,1,102.1549,102.091889,C00576,249,15710,HMDB0001252,"",betald,betald,FDB022513,244,"BETAINE_ALDEHYDE",betald,"BTL",,cpd00447,MNXM457,,278,7418-61-3,DTXSID20225152,SXKNCCSPZDCRFD-UHFFFAOYSA-N,"InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1",[H]C(=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
bglc,"Beta-Glucans",C1200000H2200000O1100000,0,0,0,,NaN,NaN,,"",bglc,bglc,,NaN,"",bglc,"Beta-glucan",,,MNXM163321,,NaN,,,,"",
bgly,"Hippuric acid",C9H8NO3,-1,179.1727,179.0582432,C01586,464,18089,HMDB0000714,"",,bgly,FDB001819,451,"",bgly,"Hippuric acid",DBMET00507,,MNXM1577,C00030483,1301,495-69-2,DTXSID9046073,QIAFMBKCNZACKA-UHFFFAOYSA-M,"InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/p-1",[H]N(C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([O-])=O
bhb,"(R)-3-Hydroxybutyric acid",C4H7O3,-1,104.1045,104.0473441,C01089,92135,17066,HMDB0000011,"(R)-3-hydroxybutyrate",bhb,bhb,FDB021869,83181,"CPD-335",bhb,"",,cpd00797,MNXM663,,NaN,625-72-9,DTXSID3041829,WHBMMWSBFZVSSR-GSVOUGTGSA-M,"InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1/t3-/m1/s1",[H]O[C@]([H])(C([H])([H])[H])C([H])([H])C([O-])=O
bildglcur,"Bilirubin diglucuronide",C45H50N4O18,-2,936.921,936.3276609,C05787,5459911,18392,HMDB0003325,"",bildglcur,bildglcur,FDB023140,4573640,"BILIRUBIN-BISGLUCURONOSIDE",bildglcur,"Bilirubin diglucuronide",,,MNXM162497,,6883,17459-92-6,,SCJLWMXOOYZBTH-GIDSPALLSA-L,"InChI=1S/C45H52N4O18/c1-7-20-19(6)40(58)49-27(20)14-25-18(5)23(10-12-31(51)65-45-37(57)33(53)35(55)39(67-45)43(62)63)29(47-25)15-28-22(17(4)24(46-28)13-26-16(3)21(8-2)41(59)48-26)9-11-30(50)64-44-36(56)32(52)34(54)38(66-44)42(60)61/h7-8,13-14,32-39,44-47,52-57H,1-2,9-12,15H2,3-6H3,(H,48,59)(H,49,58)(H,60,61)(H,62,63)/p-2/b26-13+,27-14-/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1",[H]O[C@@]1([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C2=C(N([H])C(\C([H])=C3\N([H])C(=O)C(=C3C([H])=C([H])[H])C([H])([H])[H])=C2C([H])([H])[H])C([H])([H])C2=C(C(=C(N2[H])C(\[H])=C2\N([H])C(=O)C(C([H])=C([H])[H])=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)O[C@]2([H])O[C@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])O[C@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@]1([H])O[H]
bilglcur,"Mono(Glucosyluronic Acid)Bilirubin",C39H42N4O12,-2,0,0,C03374,NaN,16427,,"",bilglcur,bilglcur,,NaN,"",bilglcur,"",,,MNXM162498,,65968,,,ARBDURHEPGRPSR-JTCNQIQHSA-N,"InChI=1S/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-18(5)23(10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52)53)29(41-25)15-28-22(9-11-30(44)45)17(4)24(40-28)13-26-16(3)21(8-2)37(51)42-26/h7-8,13-14,32-35,39-41,47-49H,1-2,9-12,15H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)(H,52,53)/b26-13+,27-14-/t32-,33-,34+,35-,39+/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C1=C(N([H])C(\C([H])=C2\N([H])C(=O)C(C([H])=C([H])[H])=C2C([H])([H])[H])=C1C([H])([H])[H])C([H])([H])C1=C(C(=C(N1[H])C(\[H])=C1\N([H])C(=O)C(=C1C([H])=C([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
bilirub,"Bilirubin",C33H34N4O6,-2,584.6621,584.2634849,C00486,5280352,16990,HMDB0000054,"",bilirub,bilirub,FDB021886,4444055,"BILIRUBIN",bilirub,"Bilirubin",,,MNXM534,C00029828,81,635-65-4,DTXSID8060905,BPYKTIZUTYGOLE-IFADSCNNSA-L,"InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b26-13-,27-14-",[H]C([H])=C([H])C1=C(\C(N([H])C1=O)=C(/[H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C(=C(N1[H])C(\[H])=C1/N([H])C(=O)C(=C1C([H])=C([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H])C([H])([H])[H]
biliverd,"Biliverdin",C33H32N4O6,-2,582.6463,582.2478348,C00500,5353439,17033,HMDB0001008,"",biliverd,biliverd,FDB022366,4510089,"BILIVERDINE",biliverd,"Biliverdin",,,MNXM416,,5938,114-25-0,DTXSID70883307,QBUVFDKTZJNUPP-BBROENKCSA-L,"InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b26-13-,27-14-,28-15-",[H]OC1=N\C(=C(\[H])C2=N\C(=C(\[H])C3=C(C(=C(N3[H])C(\[H])=C3/N=C(O[H])C(=C3C([H])=C([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)\C(=C2C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C(=C1C([H])=C([H])[H])C([H])([H])[H]
biocyt,"Biocytin",C16H28N4O4S,0,372.483,372.1831261,C05552,83814,27870,HMDB0003134,"",biocyt,biocyt,FDB023111,75634,"",biocyt,"Biocytin",,cpd03293,MNXM2981,,NaN,576-19-2,,BAQMYDQNMFBZNA-MNXVOIDGSA-N,"InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1",[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])SC([H])([H])[C@]2([H])N([H])C(=O)N([H])[C@]12[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
biomass,"Biomass",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",biomass,"",,cpd11416,,,NaN,,,,"",
btal,"Butanal",C4H8O,0,0,0,,NaN,NaN,HMDB0003543,"",,,,NaN,"",btal,"",,cpd01011,MNXM1017,,NaN,,,,"",
btamp,"Biotinyl-5'-AMP",C20H27N7O9PS,-1,573.517,573.1406827,C05921,440839,NaN,HMDB0004220,"",btamp,btamp,FDB023336,389681,"",btamp,"",,cpd03517,MNXM2351,,NaN,4130-20-5,,UTQCSTJVMLODHM-RHCAYAJFSA-M,"InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/p-1/t9-,10+,11-,13-,15+,16+,19+/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])SC([H])([H])[C@]3([H])N([H])C(=O)N([H])[C@]23[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
btcoa,"Butyryl-CoA",C25H38N7O17P3S,-4,837.624,837.1570732,C00136,265,57371,HMDB0001088,"butyryl-CoA",btcoa,btcoa,FDB022419,260,"CPD-12174",btcoa,"Butyryl-CoA",,cpd00120,MNXM233,,5996,2140-48-9,,CRFNGMNYKDXRTN-BTRAQTFYSA-J,"InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,18-,19-,20+,24-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
btd_RR,"(2R,3R)-2,3-Butanediol",C4H10O2,0,90.121,90.06807956,C03044,225936,16982,HMDB0033007,"",,,FDB010997,196452,"",btd_RR,"2,3-Butanediol",,cpd01947,MNXM163570,,NaN,24347-58-8,,OWBTYPJTUOEWEK-QWWZWVQMSA-N,"",
btd_SS,"(S,S)-2,3-Butanediol",C4H10O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd01949,,,NaN,,,,"",
btn,"Biotin",C10H15N2O3S,-1,244.311,244.0881631,C00120,171548,15956,HMDB0000030,"biotin",btn,btn,FDB014510,149962,"BIOTIN",btn,"Biotin",DB00121,cpd00104,MNXM304,C00000756,243,58-85-5,DTXSID7022679,YBJHBAHKTGYVGT-ZKWXMUAHSA-M,"InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/p-1/t6-,7-,9-/m0/s1",[H]N1C(=O)N([H])[C@]2([H])[C@@]([H])(SC([H])([H])[C@]12[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
btn_co2,"Carboxybiotin-carboxyl-carrier protein",C17H26N4O5SX,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
btnso,"D-biotin d-sulfoxide",C10H15N2O4S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",btnso,"",,cpd15414,MNXM3932,,NaN,,,,"",
btoh,"1-Butanol",C4H10O,0,74.1216,74.07316494,C06142,263,28885,HMDB0004327,"",,,FDB012614,258,"BUTANOL",btoh,"1-Butanol",DB02145,cpd03662,MNXM3230,C00035814,7052,71-36-3,DTXSID1021740,LRHPLDYGYMQRHN-UHFFFAOYSA-N,"",
but,"Butyric acid",C4H7O2,-1,88.1051,88.0524295,C00246,264,30772,HMDB0000039,"",but,but,FDB012062,259,"",but,"Butyric acid",DB03568,cpd00211,MNXM162281,C00001180,107,107-92-6,DTXSID8040432,FERIUCNNQQJTOY-UHFFFAOYSA-M,"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([O-])=O
but2eACP,"But-2-enoyl-[acyl-carrier protein]",C15H25N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",but2eACP,"",,,MNXM3229,,NaN,,,,"",
butACP,"Butyryl-ACP (n-C4:0ACP)",C15H27N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",butACP,"",,cpd11464,MNXM90458,,NaN,,,,"",
butpi,"Butanoyl phosphate",C4H7O5P,-2,0,0,C02527,NaN,NaN,,"",,,,NaN,"",butpi,"",,cpd01662,MNXM2105,,65782,,,,"",
butso3,"Butanesulfonate",C4H9O3S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",butso3,"",,cpd11596,MNXM7138,,NaN,,,,"",
bvite,"Beta-tocopherol",C28H48O2,0,416.6795,416.3654308,C14152,6857447,47771,HMDB0006335,"",bvite,bvite,FDB012381,5256784,"BETA-TOCOPHEROL",bvite,"beta-tocopherol",,,MNXM4488,C00007364,NaN,148-03-8,DTXSID10873424,WGVKWNUPNGFDFJ-DQCZWYHMSA-N,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",[H]OC1=C([H])C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2=C1C([H])([H])[H])C([H])([H])[H]
bz,"Benzoic acid",C7H5O2,-1,122.123,122.0367794,C00180,243,30746,HMDB0001870,"",bz,bz,FDB008739,238,"BENZOATE",bz,"Benzoic acid",DB03793,cpd00153,MNXM217,C00000207,1297,65-85-0,DTXSID6020143,WPYMKLBDIGXBTP-UHFFFAOYSA-M,"InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1",[H]C1=C([H])C([H])=C(C([H])=C1[H])C([O-])=O
bz12diol,"Cis-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate",C7H7O4,-1,0,0,C06321,8557,18340,,"",,,,NaN,"",bz12diol,"",,cpd03762,MNXM1508,,NaN,,,,"InChI=1S/C7H8O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1-5,8,11H,(H,9,10)/t5-,7+/m0/s1",
bzam,"Benzamide",C7H7NO,0,0,0,,NaN,NaN,HMDB0004461,"",,,,NaN,"",,"",,cpd06707,,,NaN,,,,"",
bzcoa,"Benzoyl Coenzyme A",C28H36N7O17P3S,-4,0,0,,NaN,NaN,,"",,bzcoa,,NaN,"",,"",,cpd00401,,,NaN,,,VEVJTUNLALKRNO-VBDPZXIHSA-J,"InChI=1S/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24(19)35/h3-7,14-15,17,20-22,26,37-38H,8-13H2,1-2H3,(H,30,36)(H,31,39)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t17-,20-,21-,22?,26-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
C01041,"Monodehydroascorbate",C6H6O6,-1,0,0,C01041,439374,16504,,"",C01041,C01041,,NaN,"",,"",,,,,63191,,,LHFJOBMTAJJOTB-JLAZNSOCSA-M,"InChI=1S/C6H7O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10H,1H2/p-1/t2-,5+/m0/s1",[H]OC([H])([H])[C@]([H])(O[H])[C@@]1([H])OC(=O)C([O-])=C1[O]
C01241,"Phosphatidyl-N-Methylethanolamine",C8H14NO8PR2,0,0,0,C01241,NaN,15958,,"",C01241,,,NaN,"",C01241,"",,,MNXM91270,,NaN,,,,"",[H]OP(=O)(OC([H])([H])C([H])([H])N([H])C([H])([H])[H])OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
C01264,"1-Alkyl-2-Acetyl-Sn-Glycerol 3-Phosphate",C5H8O7PR,-2,0,0,,NaN,NaN,,"",C01264,,,NaN,"",,"",,,,,NaN,,,,"",[H]C([H])([H])C(=O)O[C@]([H])(C([H])([H])O[*])C([H])([H])OP([O-])([O-])=O
C01290,"Lactosylceramide (d18:1/12:0)",C31H56NO13R,0,806.0756,805.5551416,C01290,20057304,NaN,HMDB0004866,"",C01290,,FDB023465,16744880,"CYTOLIPIN_H",,"",,,,,7123,4682-48-8,,KNWHKVBHCLQVFX-QXWNENIHSA-N,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
C01507,"Mannitol",C6H14O6,0,182.1718,182.0790382,C00392,6251,16899,HMDB0000765,"",,,FDB001982,6015,"",C01507,"Mannitol",DB00742,,MNXM168132,C00001165,142,69-65-8,DTXSID1023235,FBPFZTCFMRRESA-UNTFVMJOSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1",[H]OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])O[H]
C01601,"Pelargonic acid",C9H17O2,-1,158.238,158.1306798,C01601,8158,29019,HMDB0000847,"",,C01601,FDB003306,7866,"",C01601,"Pelargonic acid",,,MNXM12480,C00030829,5810,112-05-0,DTXSID3021641,FBUKVWPVBMHYJY-UHFFFAOYSA-M,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
C01747,"Galactosylsphingosine",C24H48NO7,1,461.6325,461.3352529,C01747,22833541,16874,HMDB0000648,"",C01747,C01747,FDB022161,17215986,"",C01747,"",,,MNXM163889,,5620,2238-90-6,,HHJTWTPUPVQKNA-PIIMIWFASA-O,"InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/p+1/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@]([H])([N+]([H])([H])[H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
C01836,"Neurotensin",C78H122N21O20,1,0,0,C01836,25078013,7542,,"",,,,NaN,"",C01836,"",,,MNXM64520,,NaN,39379-15-2,DTXSID4041076,PCJGZPGTCUMMOT-UHFFFAOYSA-O,"InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/p+1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])(N([H])C(=O)C([H])(N([H])C(=O)C1([H])N([H])C(=O)C([H])([H])C1([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C1([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C1([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([O-])=O
C02147,"Dihydrolipoate",C8H15O2S2,-1,208.341,208.0591711,C02147,421,18047,HMDB0012210,"",C02147,,FDB028855,408,"6-S-ACETYL-DIHYDROLIPOATE",C02147,"",,cpd01454,MNXM3585,,NaN,462-20-4,,IZFHEQBZOYJLPK-UHFFFAOYSA-M,"InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/p-1",[H]SC([H])([H])C([H])([H])C([H])(S[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
C02356,"L-Alpha-aminobutyric acid",C4H9NO2,0,103.1198,103.0633285,C02356,80283,35619,HMDB0000452,"",C02356,C02356,FDB012537,72524,"CPD0-1942",C02356,"ABA",,,MNXM17054,,12,1492-24-6,DTXSID10883684,QWCKQJZIFLGMSD-VKHMYHEASA-N,"InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",[H]C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
C02442,"N-Methyltyramine",C9H14NO,1,151.2056,151.099714,C02442,9727,17458,HMDB0003633,"",C02442,,FDB000435,9345,"",C02442,"N-methyltyramine",,cpd01610,MNXM3670,C00027432,NaN,370-98-9,DTXSID60190496,AXVZFRBSCNEKPQ-UHFFFAOYSA-O,"InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3/p+1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])[H]
C02469,"Uroporphyrin III",C40H30N4O16,-8,0,0,C02469,NaN,15436,HMDB0000916,"",C02469,,FDB005664,16736727,"UROPORPHYRIN_III",,"",,,,,5870,,,VZVFNUAIRVUCEW-UJJXFSCMSA-N,"InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",[H]OC(=O)C([H])([H])C1=C(\C2=C([H])\C3=C(C(=C(N3[H])\C([H])=C3/N=C(/C(/[H])=C4\N([H])\C(=C([H])/C1=N2)C(=C4C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])C(=O)O[H])C(=C3C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])C(=O)O[H])C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])C(=O)O[H]
C02470,"Xanthurenic acid",C10H6NO4,-1,205.1669,205.0375077,C02470,5699,217069,HMDB0000881,"",C02470,C02470,FDB022297,5497,"XANTHURENATE",C02470,"Xanthurenic acid",,,MNXM5989,,5841,59-00-7,DTXSID90207728,FBZONXHGGPHHIY-UHFFFAOYSA-M,"InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)/p-1",[H]OC1=C([H])C([H])=C([H])C2=C(O[H])C([H])=C(N=C12)C([O-])=O
C02528,"Chenodeoxycholic acid",C24H39O4,-1,392.5799866,392.2926598,C02528,10133,16755,HMDB0000518,"",C02528,C02528,FDB022087,9728,"",C02528,"Chenodeoxycholic acid",DB06777,cpd01663,MNXM1183,C00050557,207,474-25-9,DTXSID2020260,RUDATBOHQWOJDD-BSWAIDMHSA-M,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C1([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
C02712,"N-Acetyl-L-methionine",C7H12NO3S,-1,191.248,191.061614,C02712,6180,165927,HMDB0011745,"",C02712,C02712,FDB001089,5945,"",C02712,"",,,MNXM7576,,NaN,65-82-7,DTXSID5037022,XUYPXLNMDZIRQH-LURJTMIESA-M,"InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/p-1/t6-/m0/s1",[H]N(C(=O)C([H])([H])[H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])SC([H])([H])[H]
C02744,"Psychosine sulfate",C24H47NO10S,0,541.696,541.2920674,C02744,53481594,17507,HMDB0013046,"",,,FDB029269,NaN,"CPD-518",C02744,"",,,MNXM7718,,NaN,,,UIEYIJKBVSNMMH-PIIMIWFASA-N,"InChI=1S/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(26)18(25)16-33-24-23(29)22(28)21(27)20(35-24)17-34-36(30,31)32/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)/b15-14+/t18-,19+,20+,21-,22-,23+,24+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])([N+]([H])([H])[H])C([H])([H])O[C@]1([H])O[C@]([H])(C([H])([H])OS([O-])(=O)=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
C03372,"Dihydroxyacetone Phosphate Acyl Ester",C4H4O7PR,-2,198.0679,197.9929391,C03372,6857386,15835,HMDB0011750,"",,,FDB028422,5256726,"1-ACYL-GLYCERONE-3-PHOSPHATE",,"",,,,,NaN,,,IWFZHMQFZRLGDQ-UHFFFAOYSA-N,"",[H]OP(=O)(O[H])OC([H])([H])C(=O)C([H])([H])OC([*])=O
C03405,"Lactosylceramide Sulfate",X,0,0,0,C03405,NaN,NaN,,"",C03405,,,NaN,"",C03405,"",,,MNXM59674,,NaN,,,,"InChI=1S/C46H85NO13.H2O4S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(49)47-34(35(48)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)33-57-45-41(54)38(51)42(44(56)60-45)58-46-40(53)37(50)39(52)43(55)59-46;1-5(2,3)4/h17-18,29,31,34-35,37-46,48,50-56H,3-16,19-28,30,32-33H2,1-2H3,(H,47,49);(H2,1,2,3,4)/p-2/b18-17-,31-29+;/t34-,35+,37-,38+,39+,40+,41+,42-,43-,44-,45+,46+;/m0./s1",[O-]S([O-])(=O)=O.[H]OC(=N[C@@]([H])(C([H])([H])O[C@]1([H])O[C@]([H])(O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
C03413,"N1,N12-Diacetylspermine",C14H32N4O2,2,286.4136,286.2368762,C03413,132680,28101,HMDB0002172,"",C03413,,FDB022884,117134,"",C03413,"",,,MNXM4676,,6525,61345-83-3,DTXSID10276330,NPDTUDWGJMBVEP-UHFFFAOYSA-P,"InChI=1S/C14H30N4O2/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20)/p+2",[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H]
C03577,"20-Hydroxy-leukotriene E4",C23H36NO6S,-1,455.608,455.2341586,C03577,53481511,28700,HMDB0012639,"",,,FDB029162,NaN,"20-HYDROXY-LEUKOTRIENE-E4",C03577,"",,,MNXM3823,,NaN,111844-33-8,,BJRMBXPQAMDCMG-CMJQBAFXSA-M,"InChI=1S/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(H,27,28)(H,29,30)/p-1/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(SC([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
C03681,"5a-Pregnane-3,20-dione",C21H32O2,0,316.4776,316.2402303,C03681,92810,28952,HMDB0003759,"",,C03681,FDB023222,83782,"CPD-293",C03681,"",,,MNXM1066,,6981,566-65-4,,XMRPGKVKISIQBV-BJMCWZGWSA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1",[H]C([H])([H])C(=O)[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])[C@@]4([H])C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
C03693,"D-Mannose 1,6-Bisphosphate",C6H10O12P2,-4,0,0,C03693,3036654,NaN,,"",C03693,,,NaN,"",C03693,"",,,MNXM48557,,NaN,,,RWHOZGRAXYWRNX-RWOPYEJCSA-J,"InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/p-4/t2-,3-,4+,5+,6-/m1/s1",[H]O[C@]1([H])[C@@]([H])(OP([O-])([O-])=O)O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]1([H])O[H]
C03820,"1-Alkyl-2-Acetyl-Sn-Glycerol",C5H9O4R,0,0,0,C03820,NaN,16291,,"",C03820,,,NaN,"",,"",,,,,62001,,,,"",[H]OC([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])C([H])([H])O[*]
C03958,"Thyrotropin Releasing Hormone",C16H22N6O4,0,362.3900146,362.1702532,C03958,638678,35940,HMDB05763,"",C03958,,,554166,"",C03958,"Thyrotropin-releasing_hormone",,,MNXM21371,,44807,24305-27-9,DTXSID0023533,XNSAINXGIQZQOO-SRVKXCTJSA-N,"InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1",[H]N([H])C(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N([H])C(=O)C([H])([H])C2([H])[H])C([H])([H])C2=C([H])N=C([H])N2[H])C([H])([H])C([H])([H])C1([H])[H]
C03968,"1-Alkyl-Sn-Glycerol 3-Phosphate",C3H6O6PR,-2,0,0,,NaN,NaN,,"",C03968,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@]([H])(C([H])([H])O[*])C([H])([H])OP([O-])([O-])=O
C04295,"5-Androstenediol",C19H30O2,0,290.4403,290.2245802,C04295,10634,2710,HMDB0003818,"",C04295,,FDB023228,10188,"",C04295,"Androstenediol",,cpd02637,MNXM2973,,6983,521-17-5,DTXSID9022609,QADHLRWLCPCEKT-LOVVWNRFSA-N,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
C04308,"Phosphatidyl-N-Dimethylethanolamine",C9H15NO8PR2,-1,0,0,C04308,NaN,NaN,,"",C04308,,,NaN,"",C04308,"",,,MNXM75100,,NaN,,,,"",[H]C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])OP([O-])(=O)OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
C04717,"13-L-Hydroperoxylinoleic acid",C18H30O4,-1,312.4443,312.2300595,C04717,5280720,15655,HMDB0003871,"",,C04717,FDB023240,4444304,"",C04717,"",,,MNXM165530,,NaN,33964-75-9,,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",[H]OO[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
C04805,"5-HETE",C20H31O3,-1,320.4663,320.2351449,C04805,5280733,28209,HMDB0011134,"",C04805,C04805,FDB001434,4444314,"",C04805,"5-Hydroxyeicosatetraenoic acid",,cpd02918,MNXM38414,C00000423,6554,70608-72-9,,KGIJOOYOSFUGPC-HSFOLRKZSA-M,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/p-1/b7-6-,10-9-,13-12-,16-14?/t19-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
C04843,"(5Z,9E,12S,14Z)-8,11,12-Trihydroxyicosa-5,9,14-Trienoic Acid (Trioxilin A3)",C20H33O5,-1,0,0,C04843,46878369,15630,,"",,,,NaN,"",C04843,"",,,MNXM5376,,NaN,,,WPLPEZUSILBTGP-UIKNIFMXSA-M,"InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/p-1/b9-7-,10-6-,16-15+/t17?,18-,19?/m0/s1",[H]OC([H])(C(\[H])=C(/[H])C([H])(O[H])[C@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
C04849,"(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoic Acid",C20H31O4,-1,336.472,336.2300595,C04849,5280743,NaN,HMDB0062619,"",,C04849,,NaN,"",C04849,"",,,MNXM4921,,NaN,,,SGTUOBURCVMACZ-CIQDQOFUSA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/p-1/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1",[H]OC([H])(C(\[H])=C(/[H])[C@@]1([H])O[C@@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
C05109,"24,25-Dihydrolanosterol",C30H52O,0,428.7333,428.4018163,C05109,440560,28113,HMDB0006839,"",,C05109,FDB004614,389460,"CPD-8606",,"",,,,C00023781,NaN,79-62-9,,MBZYKEVPFYHDOH-BQNIITSRSA-N,"InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C3=C(C([H])([H])C([H])([H])[C@@]2([H])C1(C([H])([H])[H])C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])[H]
C05279,"trans,cis-Lauro-2,6-dienoyl-CoA",C33H50N7O17P3S,-4,945.805,945.2509736,C05279,53480665,NaN,HMDB0011123,"(2-trans,6-cis)-dodeca-2,6-dienoyl-CoA",,C05279,FDB027905,NaN,"",,"",,,,,NaN,,,BNPQDIKRZDRREL-GQUYLXGASA-J,"InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,12-13,20-22,26-28,32,43-44H,4-7,10-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b9-8-,13-12+/t22-,26-,27-,28+,32-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
C05280,"cis,cis-3,6-Dodecadienoyl-CoA",C33H50N7O17P3S,-4,945.805,945.2509736,C05280,5280771,28002,HMDB0003952,"cis,cis-dodeca-3,6-dienoyl-CoA",C05280,C05280,FDB023271,4444337,"",,"",,,,,NaN,,,KEPSPLQXVPROMK-ASJCJLDXSA-J,"InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,11-12,20-22,26-28,32,43-44H,4-7,10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b9-8-,12-11-/t22-,26-,27-,28+,32-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
C05284,"11b-Hydroxyandrost-4-ene-3,17-dione",C19H26O3,0,302.4079,302.1881947,C05284,94141,27967,HMDB0006773,"",C05284,,FDB024075,84958,"",C05284,"",,,MNXM2593,,NaN,382-44-5,DTXSID8040931,WSCUHXPGYUMQEX-KCZNZURUSA-N,"InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]2(C(=O)C([H])([H])C([H])([H])[C@@]2([H])[C@]2([H])C([H])([H])C([H])([H])C3=C([H])C(=O)C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]12[H])C([H])([H])[H]
C05298,"2-Hydroxyestrone",C18H22O3,0,286.3655,286.1568946,C05298,440623,1156,HMDB0000343,"",C05298,C05298,FDB021966,389514,"",C05298,"2-Hydroxyestrone",,,MNXM3813,,2579,362-06-1,,SWINWPBPEKHUOD-JPVZDGGYSA-N,"InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1",[H]OC1=C([H])C2=C(C([H])=C1O[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]3(C(=O)C([H])([H])C([H])([H])[C@@]3([H])[C@]1([H])C([H])([H])C2([H])[H])C([H])([H])[H]
C05299,"2-Methoxyestrone",C19H24O3,0,300.3921,300.1725446,C05299,440624,1189,HMDB0000010,"",C05299,C05299,FDB021868,389515,"ESTRONE-SULFATE",C05299,"2-Methoxyestrone",,,MNXM4971,,2578,362-08-3,,WHEUWNKSCXYKBU-QPWUGHHJSA-N,"InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1",[H]OC1=C([H])C2=C(C([H])=C1OC([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]3(C(=O)C([H])([H])C([H])([H])[C@@]3([H])[C@]1([H])C([H])([H])C2([H])[H])C([H])([H])[H]
C05300,"16a-Hydroxyestrone",C18H22O3,0,286.3655,286.1568946,C05300,115116,776,HMDB0000335,"",C05300,C05300,FDB021959,103012,"",C05300,"",,,MNXM3794,,2580,566-76-7,,WPOCIZJTELRQMF-QFXBJFAPSA-N,"InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1",[H]OC1=C([H])C2=C(C([H])=C1[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]3(C(=O)[C@]([H])(O[H])C([H])([H])[C@@]3([H])[C@]1([H])C([H])([H])C2([H])[H])C([H])([H])[H]
C05301,"2-Hydroxyestradiol",C18H24O3,0,288.3814,288.1725446,C05301,247304,28744,HMDB0000338,"",C05301,C05301,FDB021962,216475,"2-HYDROXY-ESTRADIOL",C05301,"",,,MNXM2926,,5327,362-05-0,DTXSID3022372,DILDHNKDVHLEQB-XSSYPUMDSA-N,"InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1",[H]OC1=C([H])C2=C(C([H])=C1O[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@@]3([H])[C@]1([H])C([H])([H])C2([H])[H]
C05302,"2-Methoxyestradiol",C19H26O3,0,302.4079,302.1881947,C05302,66414,28955,HMDB0000405,"",C05302,C05302,FDB022021,59788,"BACIMETHRIN",C05302,"2-Methoxyestradiol",,,MNXM4970,,5394,362-07-2,DTXSID3040938,CQOQDQWUFQDJMK-SSTWWWIQSA-N,"InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1",[H]OC1=C([H])C2=C(C([H])=C1OC([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@@]3([H])[C@]1([H])C([H])([H])C2([H])[H]
C05708,"Selenomethionine Se-Oxide",C5H11NO3Se,0,0,0,C05708,17754089,NaN,,"",C05708,,,NaN,"",C05708,"",,,MNXM81813,,NaN,,,KGXZPWNBFWCDRF-YGVKFDHGSA-N,"InChI=1S/C5H11NO3Se/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1",[H]C([H])([H])[Se](=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
C05767,"Uroporphyrin I",C40H30N4O16,-8,0,0,C05767,NaN,27484,HMDB0000936,"",C05767,C05767,FDB022326,16736725,"UROPORPHYRIN_I",,"",,,,,5885,,,DAFUFNRZWDWXJP-JRHDEHKPSA-F,"InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/p-8/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-",[H]N1\C2=C([H])/C3=N/C(=C([H])\C4=C(C(=C(N4[H])\C([H])=C4/N=C(/C(/[H])=C1/C(=C2C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C(=C4C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)/C(=C3C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
C05769,"Coproporphyrin I",C36H34N4O8,-4,654.7089,654.2689642,C05769,NaN,28421,HMDB0000643,"",,C05769,FDB022159,16736701,"",C05769,"",,,MNXM167472,,5616,531-14-6,DTXSID90883425,VORBHEGMEBOMMB-JRHDEHKPSA-J,"InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/p-4/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-",[H]N1\C2=C([H])/C3=N/C(=C([H])\C4=C(C(=C(N4[H])\C([H])=C4/N=C(/C(/[H])=C1/C(=C2C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C(=C4C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)/C(=C3C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H]
C05770,"Coproporphyrin III",C36H34N4O8,-4,654.7089,654.2689642,C05770,NaN,27609,HMDB0000570,"",C05770,C05770,FDB005557,16736509,"",,"",,,,,5553,14643-66-4,,JWFCYWSMNRLXLX-UJJXFSCMSA-J,"InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,37,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/p-4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",[H]N1\C2=C([H])/C3=N/C(=C([H])\C4=C(C(=C(N4[H])\C([H])=C4/N=C(/C(/[H])=C1/C(=C2C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C(=C4C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)/C(=C3C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H]
C05957,"Prostaglandin J2",C20H29O4,-1,334.4498,334.2144094,C05957,5280884,27485,HMDB0002710,"",C05957,C05957,FDB023049,4444407,"",C05957,"",,,MNXM7704,,3464,60203-57-8,DTXSID4041105,UQOQENZZLBSFKO-POPPZSFYSA-M,"InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/p-1/b7-4-,14-13+/t16-,17-,18+/m0/s1",[H]O[C@]([H])(C([H])=C([H])[C@@]1([H])C(=O)C([H])=C([H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
C06199,"Hordenine",C10H16NO,1,165.2322,165.1153641,C06199,68313,5764,HMDB0004366,"",,,FDB012750,61609,"",C06199,"Hordenine",,cpd03707,MNXM11832,C00001417,7055,539-15-1,DTXSID2046096,KUBCEEMXQZUPDQ-UHFFFAOYSA-O,"InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3/p+1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[N+]([H])(C([H])([H])[H])C([H])([H])[H]
C06314,"Lipoxin A4",C20H31O5,-1,352.4651,352.2249741,C06314,5280914,6498,HMDB0004385,"",C06314,C06314,FDB023370,4444429,"",C06314,"",,,MNXM12129,,7058,89663-86-5,DTXSID6040535,IXAQOQZEOGMIQS-SNDKYGBFSA-M,"InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,13-9?,14-10+/t17-,18+,19-/m0/s1",[H]O[C@]([H])(C([H])=C([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
C06315,"Lipoxin B4",C20H31O5,-1,352.4651,352.2249741,C06315,5280915,6499,HMDB0005082,"",C06315,C06315,FDB023621,4444430,"",C06315,"Lipoxin",,,MNXM12130,,NaN,98049-69-5,,UXVRTOKOJOMENI-DXEGFZHISA-M,"InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,12-9-,15-10+/t17-,18+,19-/m0/s1",[H]O[C@]([H])(C([H])=C([H])C([H])=C([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
C06350,"(R,S)-Norlaudanosoline",C16H18NO4,1,287.3105,287.115758,C06350,18519,28770,HMDB0012486,"",C06350,,FDB008796,17491,"ARG",C06350,"",,,MNXM114536,,NaN,10139-29-4,,ABXZOXDTHTTZJW-UHFFFAOYSA-O,"InChI=1S/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2/p+1",[H]OC1=C([H])C2=C(C([H])=C1O[H])C([H])(C([H])([H])C1=C([H])C(O[H])=C(O[H])C([H])=C1[H])[N+]([H])([H])C([H])([H])C2([H])[H]
C06453,"Methylcobalamin",C63CoH91N13O14P,-1,1344.405029,1343.587801,,NaN,NaN,,"",C06453,,,NaN,"",C06453,"",,,MNXM90852,,NaN,13422-55-4,DTXSID5048631,UPAJMOGMOIFZMY-WZHZPDAFSA-L,"InChI=1S/C62H90N13O14P.CH4.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H4;/q;;+1/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(n2c([H])[nH]c3c([H])c(c(c([H])c23)C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])(=O)O[C@]([H])(C([H])([H])[H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])[C@]1(\C2=C(\C3=N\C(=C([H])/C4=N/C(=C(\C5=N[C@@](C([H])([H])[H])([C@]([H])(N2[Co]C([H])([H])[H])[C@]1([H])C([H])([H])C(=O)N([H])[H])[C@@](C([H])([H])[H])(C([H])([H])C(=O)N([H])[H])[C@]5([H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])/[C@@](C([H])([H])[H])(C([H])([H])C(=O)N([H])[H])[C@]4([H])C([H])([H])C([H])([H])C(=O)N([H])[H])\C(C([H])([H])[H])(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])C([H])([H])[H]
C06948,"Diazepam",C16ClH13N2O,0,284.74,284.0716408,C06948,3016,49575,HMDB0014967,"",,,FDB007103,2908,"",C06948,"Diazepam",DB00829,,MNXM50391,,NaN,439-14-5,DTXSID4020406,AAOVKJBEBIDNHE-UHFFFAOYSA-N,"InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3",[H]C1=C([H])C([H])=C(C([H])=C1[H])C1=NC([H])([H])C(=O)N(C2=C1C([H])=C(Cl)C([H])=C2[H])C([H])([H])[H]
C07297,"Pristanoyl-CoA",C40H66N7O18P3S,-4,1062.006,1061.371089,C07297,441253,NaN,HMDB0002057,"",,C07297,FDB022821,390025,"3-OXOPRISTANOYL-COA",,"",,,,,6464,,,NQFYRDGBRBDQQG-SVFBWJQPSA-J,"InChI=1S/C40H70N7O18P3S/c1-24(2)10-8-11-25(3)12-9-13-26(4)14-15-28(48)27(5)39(53)69-19-18-42-30(49)16-17-43-37(52)34(51)40(6,7)21-62-68(59,60)65-67(57,58)61-20-29-33(64-66(54,55)56)32(50)38(63-29)47-23-46-31-35(41)44-22-45-36(31)47/h22-27,29,32-34,38,50-51H,8-21H2,1-7H3,(H,42,49)(H,43,52)(H,57,58)(H,59,60)(H2,41,44,45)(H2,54,55,56)/p-4/t25?,26?,27?,29-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
C07486,"Nordiazepam",C15ClH11N2O,0,270.714,270.0559907,C07486,2997,111762,HMDB0060538,"",,,,2890,"",C07486,"Nordazepam",DB14028,,MNXM64920,,NaN,1088-11-5,DTXSID2049000,AKPLHCDWDRPJGD-UHFFFAOYSA-N,"InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)",[H]N1C2=C(C([H])=C(Cl)C([H])=C2[H])C(=NC([H])([H])C1=O)C1=C([H])C([H])=C([H])C([H])=C1[H]
C07535,"Benzpyrene",C20H12,0,252.3159943,252.0939004,C07535,2336,29865,,"",,,,2246,"",C07535,"Benzo(a)pyrene",,,MNXM3216,,NaN,50-32-8,DTXSID2020139,FMMWHPNWAFZXNH-UHFFFAOYSA-N,"",c1cccc2c1c1c3c(c2)ccc2c3c(cc1)ccc2
C08261,"Azelaic acid",C9H12O4,-2,188.2209,188.104859,C08261,2266,48131,HMDB0000784,"",,C08261,FDB012192,2179,"",C08261,"Nonanedioic acid",DB00548,,MNXM164574,C00045634,5750,123-99-9,DTXSID8021640,BDJRBEYXGGNYIS-UHFFFAOYSA-N,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H]
C08276,"3-Methylthiopropionic acid",C4H7O2S,-1,0,0,C08276,563,1438,HMDB0001527,"",,,FDB022672,547,"CPD-86",C08276,"",,,MNXM2782,,6300,,,CAOMCZAIALVUPA-UHFFFAOYSA-M,"InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)/p-1",[H]C([H])([H])SC([H])([H])C([H])([H])C([O-])=O
C09209,"Harman",C12H10N2,0,182.2212,182.0843983,C09209,5281404,5623,HMDB0035196,"",,,FDB013842,4444755,"CPD66-92",C09209,"Harman",,,MNXM11747,C00001736,NaN,486-84-0,DTXSID80197568,PSFDQSOCUJVVGF-UHFFFAOYSA-N,"InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3",[H]N1C2=C(C([H])=C([H])C([H])=C2[H])C2=C1C(=NC([H])=C2[H])C([H])([H])[H]
C09640,"(-)-Salsoline",C11H16NO2,1,193.2423,193.1102787,C09640,442356,761542,HMDB0012469,"",C09640,,FDB029079,390808,"",C09640,"",,,MNXM13455,C00001914,NaN,89-31-6,DTXSID70876517,YTPRLBGPGZHUPD-ZETCQYMHSA-O,"InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3/p+1/t7-/m0/s1",[H]OC1=C([H])C2=C(C([H])=C1OC([H])([H])[H])[C@]([H])(C([H])([H])[H])[N+]([H])([H])C([H])([H])C2([H])[H]
C09642,"(R)-Salsolinol",C10H14NO2,1,179.2157,179.0946287,C09642,54456,123715,HMDB0005199,"",C09642,C09642,FDB000429,49181,"",C09642,"",,,MNXM9366,,NaN,525-72-4,,IBRKLUSXDYATLG-LURJTMIESA-O,"InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/p+1/t6-/m0/s1",[H]OC1=C([H])C2=C(C([H])=C1O[H])[C@]([H])(C([H])([H])[H])[N+]([H])([H])C([H])([H])C2([H])[H]
C10164,"Picolinic acid",C6H4NO2,-1,123.1094,123.0320284,C10164,1018,28747,HMDB0002243,"",C10164,C10164,FDB022926,993,"CPD-5062",C10164,"Picolinic acid",,,MNXM168895,C00002063,NaN,98-98-6,DTXSID7031903,SIOXPEMLGUPBBT-UHFFFAOYSA-M,"InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)/p-1",[H]C1=NC(=C([H])C([H])=C1[H])C([O-])=O
c101coa,"Decenoyl Coenzyme A",C31H48N7O17P3S,-4,0,0,,NaN,NaN,,"",,c101coa,,NaN,"",,"",,,,,NaN,,,,"",
c101crn,"Decenoyl Carnitine",C17H31NO4,0,0,0,,53481651,NaN,,"",,c101crn,,NaN,"",,"",,,,,NaN,,,GOOOCIIXFLVRAG-UHFFFAOYSA-N,"InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h5,15H,1,6-14H2,2-4H3",[H]C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
c10crn,"Decanoylcarnitine",C17H33NO4,0,315.4482,315.2409585,,10245190,68830,HMDB0000651,"",c10crn,c10crn,FDB022162,8420677,"PALMITOYL-CARNITINE",,"",,,,,5623,1492-27-9,,LZOSYCMHQXPBFU-UHFFFAOYSA-N,"InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
c10dc,"Sebacoyl Carnitine",C17H30NO6,-1,0,0,,NaN,NaN,,"",c10dc,c10dc,,NaN,"",c10dc,"",,,MNXM162993,,NaN,,,GBFPILOKXGQZKW-UHFFFAOYSA-M,"InChI=1S/C17H31NO6/c1-18(2,3)13-14(12-16(21)22)24-17(23)11-9-7-5-4-6-8-10-15(19)20/h14H,4-13H2,1-3H3,(H-,19,20,21,22)/p-1",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
C11304,"S-(Prostaglandin A1)-Glutathione",C30H47N3O10S,-2,0,0,C11304,5281898,NaN,,"",,,,NaN,"",C11304,"",,,MNXM81247,,NaN,,,HXBAELAEMDXAJM-HMEXYRAGSA-L,"InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h12-13,19-23,25,34H,2-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b13-12+/t19-,20?,21-,22+,23+,25?/m1/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])C([H])(SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)C([H])([H])C(=O)C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
C11695,"Anandamide",C22H37NO2,0,347.5347,347.2824294,C11695,5281969,2700,HMDB0004080,"",C11695,C11695,FDB023303,4445241,"CPD-7598",C11695,"Anandamide",,,MNXM5060,,NaN,94421-68-8,,LGEQQWMQCRIYKG-DOFZRALJSA-N,"InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
C11821,"5-Hydroxyisourate",C5H4N4O4,0,184.1097,184.0232546,C11821,250388,18072,HMDB0030097,"",,C11821,FDB001616,219288,"",C11821,"5-Hydroxyisourate",,cpd08625,MNXM1137,C00007531,NaN,6960-30-1,DTXSID10290591,LTQYPAVLAYVKTK-UHFFFAOYSA-N,"InChI=1S/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)",[H]OC12N([H])C(=O)N([H])C1=NC(=O)N([H])C2=O
c12dc,"Dodecanedioyl Carnitine",C19H34NO6,-1,0,0,,NaN,NaN,,"",c12dc,c12dc,,NaN,"",,"",,,,,NaN,,,VJPIDPQNAYWULC-INIZCTEOSA-M,"InChI=1S/C19H35NO6/c1-20(2,3)16(14-15-18(23)24)26-19(25)13-11-9-7-5-4-6-8-10-12-17(21)22/h16H,4-15H2,1-3H3,(H-,21,22,23,24)/p-1/t16-/m0/s1",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O
c12dccoa,"Dodecanedioyl Coenzyme A",C33H51N7O19P3S,-5,0,0,,NaN,NaN,,"",c12dccoa,c12dccoa,,NaN,"",,"",,,,,NaN,,,AWMCEAXIMVYOKU-GSZWZHFKSA-I,"InChI=1S/C33H56N7O19P3S/c1-33(2,28(46)31(47)36-14-13-22(41)35-15-16-63-24(44)12-10-8-6-4-3-5-7-9-11-23(42)43)18-56-62(53,54)59-61(51,52)55-17-21-27(58-60(48,49)50)26(45)32(57-21)40-20-39-25-29(34)37-19-38-30(25)40/h19-21,26-28,32,45-46H,3-18H2,1-2H3,(H,35,41)(H,36,47)(H,42,43)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/p-5/t21-,26-,27-,28+,32-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
C13856,"2-Arachidonylglycerol",C23H38O4,0,378.5454,378.2770097,C13856,5282280,52392,HMDB0004666,"",C13856,C13856,FDB023394,4445451,"",C13856,"2-Arachidonoylglycerol",,,MNXM1167,,NaN,53847-30-6,,RCRCTBLIHCHWDZ-STDWFKOCSA-N,"InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6?,10-9?,13-12-,16-15-",[H]OC([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])O[H]
C14768,"5,6-Epoxy-8,11,14-eicosatrienoic acid",C20H31O3,-1,320.4663,320.2351449,C14768,5283202,34450,HMDB0002190,"",C14768,C14768,FDB022895,4446323,"",C14768,"",,,MNXM6120,,NaN,81246-84-6,,VBQNSZQZRAGRIX-LXZCUKJHSA-M,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/p-1/b7-6?,10-9-,13-12-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C1([H])OC1([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
C14769,"8,9-Epoxyeicosatrienoic acid",C20H31O3,-1,320.4663,320.2351449,C14769,5283203,34490,HMDB0002232,"",C14769,C14769,FDB022920,4446324,"",C14769,"",,,MNXM6139,,NaN,81246-85-7,,DBWQSCSXHFNTMO-TYAUOURKSA-M,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/p-1/b7-6-,12-9-,13-10-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C1([H])OC1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
C14770,"11,12-Epoxyeicosatrienoic acid",C20H31O3,-1,320.4663,320.2351449,C14770,5353269,NaN,HMDB0004673,"",C14770,C14770,FDB023399,4510033,"",C14770,"",,,MNXM6048,,7069,81276-02-0,,DXOYQVHGIODESM-QXQNWPQMSA-M,"InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/p-1/b8-6+,12-9-,13-10-",[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C1([H])OC1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
C14771,"14,15-Epoxy-5,8,11-eicosatrienoic acid",C20H31O3,-1,320.4663,320.2351449,C14771,5283205,34157,HMDB0004264,"",C14771,C14771,FDB023356,4446326,"",C14771,"",,,MNXM6053,,NaN,81276-03-1,,JBSCUHKPLGKXKH-GDWIHFMBSA-M,"InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/p-1/b6-4-,9-7+,13-10-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C1([H])OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
C14825,"9,10-Epoxyoctadecenoic acid",C18H31O3,-1,296.4449,296.2351449,C14825,6246154,NaN,HMDB0004701,"",,C14825,FDB003107,4861048,"",C14825,"",,,MNXM6142,,NaN,,,FBUKMFOXMZRGRB-SQGUUQMOSA-M,"InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/p-1/b10-7-/t16-,17+/m0/s1",[H]\C(=C(/[H])C([H])([H])[C@]1([H])O[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
C14826,"12,13-EpOME",C18H31O3,-1,296.4449,296.2351449,C14826,5356421,38299,HMDB0004702,"",,C14826,FDB023414,4512106,"",C14826,"",,,MNXM91839,,NaN,,,CCPPLLJZDQAOHD-FLIBITNWSA-M,"InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/p-1/b11-8-",[H]\C(=C(/[H])C([H])([H])C1([H])OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
C14849,"Benzo[A]Pyrene-9,10-Oxide",C20H12O,0,0,0,C14849,37456,NaN,,"",,,,NaN,"",C14849,"",,,MNXM7106,,NaN,,,GOEJUYABKOTLJA-UHFFFAOYSA-N,"InChI=1S/C20H12O/c1-2-11-4-5-13-10-14-7-9-16-20(21-16)19(14)15-8-6-12(3-1)17(11)18(13)15/h1-10,16,20H",[H]C1=C([H])C2=C([H])C([H])=C3C([H])=C4C([H])=C([H])C5([H])OC5([H])C4=C4C([H])=C([H])C(=C1[H])C2=C34
C14851,"Benzo[A]Pyrene-4,5-Oxide",C20H12O,0,0,0,C14851,37786,NaN,,"",,,,NaN,"",C14851,"",,cpd10548,MNXM7104,,NaN,,,XGZQLNASOQVQTD-UHFFFAOYSA-N,"InChI=1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H",[H]C1=C([H])C([H])=C2C(=C1[H])C([H])=C1C3=C2C([H])=C([H])C2=C([H])C([H])=C([H])C(=C32)C2([H])OC12[H]
c14dccoa,"Tetradecanedioyl Coenzyme A",C35H55N7O19P3S,-5,0,0,,NaN,NaN,,"",c14dccoa,c14dccoa,,NaN,"",,"",,,,,NaN,,,TVXJIGZINAEEEG-XIOMLZLPSA-I,"InChI=1S/C35H60N7O19P3S/c1-35(2,30(48)33(49)38-16-15-24(43)37-17-18-65-26(46)14-12-10-8-6-4-3-5-7-9-11-13-25(44)45)20-58-64(55,56)61-63(53,54)57-19-23-29(60-62(50,51)52)28(47)34(59-23)42-22-41-27-31(36)39-21-40-32(27)42/h21-23,28-30,34,47-48H,3-20H2,1-2H3,(H,37,43)(H,38,49)(H,44,45)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/p-5/t23-,28-,29-,30+,34-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
c16dc,"Hexadecanedioic Acid Mono-L-Carnitine Ester",C23H42NO6,-1,0,0,,566787,NaN,,"",c16dc,c16dc,,NaN,"",,"",,,,,NaN,,,UNHCPLSWMNPZTD-UHFFFAOYSA-M,"InChI=1S/C23H43NO6/c1-24(2,3)19-20(18-22(27)28)30-23(29)17-15-13-11-9-7-5-4-6-8-10-12-14-16-21(25)26/h20H,4-19H2,1-3H3,(H-,25,26,27,28)/p-1",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
c226coa,"Cervonyl Coenzyme A",C43H62N7O17P3S,-4,0,0,C16169,NaN,65132,,"",c226coa,c226coa,,NaN,"",c226coa,"",,cpd14890,MNXM3234,,NaN,,,MENFZXMQSYYVRK-CRCGJGBYSA-J,"InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
c226crn,"Docosahexaenoylcarnitine",C29H45NO4,0,356.3261414,356.0896029,,NaN,NaN,,"",c226crn,c226crn,,NaN,"",c226crn,"",,,MNXM8387,,NaN,98665-32-8,DTXSID30243761,WLLMYDQRCSWAST-BUHCESQUSA-N,"InChI=1S/C29H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,27H,5,8,11,14,17,20,23-26H2,1-4H3/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+",[H]\C(=C(\[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
c2m26dcoa,"cis-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA",C31H46N7O17P3S,-4,917.752,917.2196734,C11946,53477855,NaN,HMDB0006540,"",,,FDB023966,NaN,"",c2m26dcoa,"",,,MNXM10980,,NaN,,,MPYXOYHSKAAPLW-NXIRUBHOSA-J,"InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b19-8-/t20-,23-,24-,25+,29-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(=C(\[H])C([H])([H])C(=C([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
c3dc,"Malonyl Carnitine",C10H16NO6,-1,0,0,,22833583,NaN,,"",,c3dc,,NaN,"",,"",,,,,NaN,,,ZGNBLKBZJBJFDG-ZETCQYMHSA-M,"InChI=1S/C10H17NO6/c1-11(2,3)6-7(4-8(12)13)17-10(16)5-9(14)15/h7H,4-6H2,1-3H3,(H-,12,13,14,15)/p-1/t7-/m0/s1",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
c4crn,"Butyrylcarnitine",C11H21NO4,0,231.2887,231.1470582,C02862,439829,NaN,HMDB0002013,"",c4crn,c4crn,FDB022795,388877,"",c4crn,"",,,MNXM65151,,6436,25576-40-3,DTXSID10180266,QWYFHHGCZUCMBN-UHFFFAOYSA-N,"InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3",[H]C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
c4dc,"Succinyl Carnitine",C11H18NO6,-1,0,0,,NaN,NaN,,"",c4dc,c4dc,,NaN,"",c4dc,"",,,MNXM158939,,NaN,,,HAEVNYBCYZZDFL-UHFFFAOYSA-M,"InChI=1S/C11H19NO6/c1-12(2,3)7-8(6-10(15)16)18-11(17)5-4-9(13)14/h8H,4-7H2,1-3H3,(H-,13,14,15,16)/p-1",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
c51crn,"Tiglyl Carnitine",C12H21NO4,0,0,0,,22833596,NaN,,"",c51crn,c51crn,,NaN,"",c51crn,"",,,MNXM163903,,NaN,,,WURBQCVBQNMUQT-RMKNXTFCSA-N,"InChI=1S/C12H21NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h6,10H,7-8H2,1-5H3/b9-6+",[H]\C(=C(/C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
c5dc,"Glutaryl Carnitine",C12H21NO6,0,0,0,,53481622,NaN,,"",c5dc,c5dc,,NaN,"",,"",,,,,NaN,,,NXJAXUYOQLTISD-VIFPVBQESA-N,"InChI=1S/C12H21NO6/c1-13(2,3)8-9(7-11(16)17)19-12(18)6-4-5-10(14)15/h9H,4-8H2,1-3H3,(H-,14,15,16,17)/t9-/m0/s1",[H]OC(=O)C([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
c6crn,"Hexanoyl Carnitine",C13H25NO4,0,0,0,,6426853,NaN,,"",c6crn,c6crn,,NaN,"",,"",,,,,NaN,,,VVPRQWTYSNDTEA-UHFFFAOYSA-N,"InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
c6dc,"Adipoyl Carnitine",C13H22NO6,-1,0,0,,71296139,68568,HMDB0061677,"",c6dc,c6dc,,NaN,"",c6dc,"",,,MNXM162921,,NaN,,,BSVHAXJKBCWVDA-UHFFFAOYSA-M,"InChI=1S/C13H23NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h10H,4-9H2,1-3H3,(H-,15,16,17,18)/p-1",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
c81coa,"Octenoyl Coenzyme A",C29H44N7O17P3S,-4,0,0,,5280769,NaN,,"",,c81coa,,NaN,"",,"",,,,,NaN,,,CPSDNAXXKWVYIY-NTLMCJQISA-J,"InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b9-8+/t18-,22-,23-,24+,28-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
c81crn,"2-Octenoylcarnitine",C15H27NO4,0,285.3792,285.1940084,,53481667,NaN,HMDB0013324,"",,c81crn,FDB021866,NaN,"",,"",,,,,NaN,,,YMIVWYONPRZBEJ-LXKVQUBZSA-N,"InChI=1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(16(2,3)4)11-12-14(17)18/h9-10,13H,5-8,11-12H2,1-4H3/b10-9+/t13-/m0/s1",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)O[C@@]([H])(C([H])([H])C([H])([H])C([O-])=O)[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
c8crn,"L-Octanoylcarnitine",C15H29NO4,0,287.3951,287.2096584,C02838,11953814,18102,HMDB0000791,"",c8crn,c8crn,FDB022246,10128115,"L-OCTANOYLCARNITINE",c8crn,"",,,MNXM162768,,NaN,25243-95-2,,CXTATJFJDMJMIY-CYBMUJFWSA-N,"InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
c8dc,"Suberyl Carnitine",C15H26NO6,-1,0,0,,NaN,NaN,,"",c8dc,c8dc,,NaN,"",c8dc,"",,,MNXM162999,,NaN,,,YVWVEIPYMGBQPE-UHFFFAOYSA-M,"InChI=1S/C15H27NO6/c1-16(2,3)11-12(10-14(19)20)22-15(21)9-7-5-4-6-8-13(17)18/h12H,4-11H2,1-3H3,(H-,17,18,19,20)/p-1",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
ca2,"Calcium",Ca,2,40.078,39.96259116,C00076,271,29108,HMDB0000464,"Ca2+",,ca2,FDB003513,266,"CA%2b2",ca2,"Calcium",,cpd00063,MNXM128,,NaN,7440-70-2,DTXSID9050484,BHPQYMZQTOCNFJ-UHFFFAOYSA-N,"InChI=1S/Ca/q+2",[Ca++]
ca24g,"Cholic acid-24glucuronide, CA-24G",C30H47O11,-1,0,0,,NaN,NaN,,"",,ca24g,,NaN,"",,"",,,,,NaN,,,,"",
ca3s,"Cholic acid 3-sulfate",C24H38O8S,-2,0,0,,NaN,NaN,,"",,ca3s,,NaN,"",,"",,,,,NaN,,,,"",
cala,"Ureidopropionic acid",C4H7N2O3,-1,132.1179,132.0534921,C02642,111,18261,HMDB0000026,"",cala,cala,FDB021879,109,"3-UREIDO-PROPIONATE",cala,"3-Ureidopropionic_acid",,cpd01720,MNXM802,,5097,462-88-4,DTXSID60196771,JSJWCHRYRHKBBW-UHFFFAOYSA-M,"InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)/p-1",[H]N([H])C(=O)N([H])C([H])([H])C([H])([H])C([O-])=O
camp,"Cyclic AMP",C10H11N5O6P,-1,329.2059,329.0525197,C00575,6076,17489,HMDB0000058,"cAMP",camp,camp,FDB001497,5851,"CAMP",camp,"Cyclic AMP",DB02527,cpd00446,MNXM243,C00001497,5120,60-92-4,DTXSID8040436,IVOMOUWHDPKRLL-KQYNXXCUSA-M,"InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/p-1/t4-,6-,7-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]2([H])C([H])([H])OP([O-])(=O)O[C@@]12[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
caproic,"Caproate (6:0)",C6H11O2,-1,115.1503,115.0759046,,NaN,17120,HMDB0061883,"",,caproic,,NaN,"HEXANOATE",,"",,,,,NaN,,DTXSID7021607,FUZZWVXGSFPDMH-UHFFFAOYSA-M,"InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
caribup_R,"R-Carboxy Ibuprofen",C13H14O4,-2,0,0,,NaN,NaN,HMDB0060564,"",,,,NaN,"",,"",,,,,NaN,,,,"",
caribup_s,"S-Carboxy Ibuprofen",C13H14O4,-2,0,0,,NaN,NaN,HMDB0060564,"",,,,NaN,"",,"",,,,,NaN,,,,"",
caribupglu_S,"S-carboxy ibuprofen glucuronide",C19H22O10,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
carn,"Carnosine",C9H14N4O3,0,0,0,C00386,439224,15727,HMDB0000033,"",carn,carn,FDB000511,388363,"CARNOSINE",carn,"Carnosine",,,MNXM114412,,38,305-84-0,,CQOVPNPJLQNMDC-ZETCQYMHSA-N,"InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1",[H]N(C(=O)C([H])([H])C([H])([H])[N+]([H])([H])[H])[C@]([H])(C([O-])=O)C([H])([H])C1=C([H])N([H])C([H])=N1
caro,"B-Carotene",C40H56,0,536.888,536.4382018,C02094,5280489,17579,HMDB0000561,"",caro,caro,FDB014613,4444129,"CPD1F-129",caro,"Betacarotene",,cpd01420,MNXM614,C00000919,5545,7235-40-7,DTXSID3020253,OENHQHLEOONYIE-JLTXGRSLSA-N,"InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+",[H]/C(=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H])/C(/[H])=C(/C(/[H])=C(\[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
carveol,"(-)-trans-Carveol",C10H16O,0,152.2334,152.1201151,C00964,94221,15389,HMDB0003450,"",carveol,carveol,FDB013717,85031,"CPD-260",carveol,"",,cpd00711,MNXM45735,C00000814,6934,1197-07-5,,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",[H]O[C@]1([H])C(=C([H])C([H])([H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])C1([H])[H])C([H])([H])[H]
catechol,"Pyrocatechol",C6H5O2,-1,110.1106,110.0367794,C00090,289,18135,HMDB0000957,"",,,FDB001512,13837760,"CATECHOL",catechol,"Pyrocatechol",,cpd00077,MNXM181,C00002644,282,120-80-9,DTXSID3020257,YCIMNLLNPGFGHC-UHFFFAOYSA-N,"InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",
cbasp,"Ureidosuccinic acid",C5H6N2O5,-2,176.1274,176.0433214,C00438,93072,15859,HMDB0000828,"",cbasp,cbasp,FDB022269,84022,"CARBAMYUL-L-ASPARTATE",cbasp,"NCD",DB04252,cpd00343,MNXM465,C00007265,5791,13184-27-5,,HLKXYZVTANABHZ-REOHCLBHSA-L,"InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/p-2/t2-/m0/s1",[H]N([H])C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C([O-])=O
cbi,"Cobinamide",C48H72CoN11O8,0,0,0,,NaN,NaN,HMDB0006902,"",,,,NaN,"",cbi,"",,cpd03422,MNXM1549,,NaN,,,,"",
cbl1,"Cob(I)alamin",C62H88CoN13O14P,-1,1329.37,1328.564326,C00853,53477772,15982,HMDB0003429,"",,,FDB021826,24921423,"COB-I-ALAMIN",cbl1,"Cyanocobalamin",DB00115,cpd00635,MNXM91519,,NaN,18534-66-2,,OMAOKVYASDIYQG-DSRCUDDDSA-L,"InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+1/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1",[H]OC([H])([H])[C@@]1([H])O[C@]2([H])N3C([H])=[N+](C4=C([H])C(=C(C([H])=C34)C([H])([H])[H])C([H])([H])[H])[Co-4]345N6C7=C(C8=[N+]3C(=C([H])C3=[N+]4C(=C(C4=[N+]5[C@@](C([H])([H])[H])([C@@]6([H])[C@]([H])(C([H])([H])C(=O)N([H])[H])[C@@]7(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])[C@]([H])(OP([O-])(=O)O[C@@]1([H])[C@@]2([H])O[H])C([H])([H])[H])[C@@](C([H])([H])[H])(C([H])([H])C(=O)N([H])[H])[C@]4([H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])[C@@](C([H])([H])[H])(C([H])([H])C(=O)N([H])[H])[C@]3([H])C([H])([H])C([H])([H])C(=O)N([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@]8([H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H]
cbl2,"Cob(II)alamin",C62H92CoN13O14P,0,1330.3557,1329.572156,C00541,NaN,16304,HMDB0006316,"",cbl2,cbl2,FDB023883,NaN,"CPD-1829",cbl2,"",,cpd00423,MNXM90580,,NaN,14463-33-3,,ASARMUCNOOHMLO-DSRCUDDDSA-L,"InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1",Cc1cc2c(cc1C)[n+](c[nH]2)[C@@H]1[C@@H]([C@@H]([C@@H](CO)O1)OP(=O)(O)O[C@H](C)CN=C(CC[C@]1(C)[C@@H](CC(=N)O)[C@@H]2[C@@]3(C)[C@@](C)(CC(=N)O)[C@H](CCC(=N)[O-])C(=C(C)C4=NC(=CC5=NC(=C(C)C1=N2)[C@@H](CCC(=N)[O-])C5(C)C)[C@@H](CCC(=N)[O-])[C@]4(C)CC(=N)O)N3)O)O.[Co+2]
cbmt,"Carbamate",CH2NO2,-1,0,0,,NaN,NaN,HMDB0003551,"",,,,NaN,"",,"",,cpd01101,,,NaN,,,,"",
cbp,"Carbamoyl phosphate",CH2NO5P,-2,141.0199,140.9827088,C00169,278,17672,HMDB0001096,"",cbp,cbp,FDB022424,272,"CARBAMOYL-P",cbp,"Carbamoyl phosphate",,cpd00146,MNXM138,C00007513,6002,590-55-6,,FFQKYPRQEYGKAF-UHFFFAOYSA-L,"InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)/p-2",[H]N([H])C(=O)OP([O-])([O-])=O
cca_d3,"Calcitroic Acid (D3)",C23H33O4,-1,0,0,C18230,NaN,NaN,,"",,,,NaN,"",cca_d3,"",,,MNXM10864,,41954,,,CHNOGDFCSAPBGJ-HEZXVCCISA-M,"InChI=1S/C22H34O4/c1-14(10-21(25)26)19-7-8-20-16(4-3-9-22(19,20)2)6-5-15-11-17(23)13-18(24)12-15/h5-6,14,17-20,23-24H,3-4,7-13H2,1-2H3,(H,25,26)/p-1/b16-6+/t14-,17-,18-,19-,20+,22-/m1/s1",[H]O[C@]1([H])C([H])([H])C(=C([H])C(\[H])=C2/C([H])([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([O-])=O)C([H])([H])[C@@]([H])(O[H])C1([H])[H]
ccmuac,"cis,cis-Muconic acid",C6H4O4,-2,142.1094,142.0266087,C02480,5280518,16508,HMDB0006331,"",,,FDB023893,4444151,"",ccmuac,"",,cpd01630,MNXM1144,,NaN,1119-72-8,,TXXHDPDFNKHHGW-CCAGOZQPSA-N,"InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-",
cd2,"Cadmium",Cd,2,0,0,,NaN,NaN,HMDB0003638,"",,,,NaN,"",cd2,"",,cpd01012,MNXM4505,,NaN,,,,"",
cdca24g,"Chenodeoxycholic acid-24glucuronide, CDCA-24G",C30H47O10,-1,0,0,,NaN,NaN,,"",,cdca24g,,NaN,"",,"",,,,,NaN,,,,"",
cdca3g,"Chenodeoxycholic acid-3glucuronide, CDCA-3G",C30H47O10,-1,0,0,,NaN,NaN,,"",,cdca3g,,NaN,"",,"",,,,,NaN,,,,"",
cddec5eACP,"Cis-dodec-5-enoyl-[acyl-carrier protein] (n-C12:1)",C23H41N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",cddec5eACP,"",,,MNXM163784,,NaN,,,,"",
cdec3eACP,"Cis-dec-3-enoyl-[acyl-carrier protein] (n-C10:1)",C21H37N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",cdec3eACP,"",,,MNXM7186,,NaN,,,,"",
cdhxft,"Cyclic dehypoxanthine futalosine",C14H13O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cdp,"CDP",C9H12N3O11P2,-3,403.1764,403.0181814,C00112,6132,17239,HMDB0001546,"",cdp,cdp,FDB022683,5902,"CDP",cdp,"CDP",,cpd00096,MNXM220,C00050434,6313,63-38-7,,ZWIADYZPOWUWEW-XVFCMESISA-K,"InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=C([H])C(=NC1=O)N([H])[H]
cdpchol,"Citicoline",C14H25N4O11P2,-1,488.324,488.1073307,C00307,13804,16436,HMDB0001413,"",cdpchol,cdpchol,FDB022608,13207,"CDP-CHOLINE",cdpchol,"Citicoline",,cpd00256,MNXM283,,6229,987-78-0,DTXSID9048431,RZZPDXZPRHQOCG-OJAKKHQRSA-M,"InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/p-1/t9-,11-,12-,13-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=NC1=O)N([H])[H]
cdpdag_hs,"Cytidine-5'-Diphosphate-Diacylglycerol",C12H17N3O11P2FULLRCO2FULLR2CO2,-2,0,0,,NaN,NaN,,"",cdpdag_hs,cdpdag_hs,,NaN,"",cdpdag_hs,"",,,MNXM5661,,NaN,,,,"",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O)[C@@]1([H])O[H])N1C([H])=C([H])C(=NC1=O)N([H])[H]
cdpdaihpdecg,"CDP-1,2-dianteisoheptadecanoylglycerol (14-methyl-hexadecanoyl, anteiso-C17)",C46H83N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15684,,,NaN,,,,"",
cdpdaipdecg,"CDP-1,2-dianteisopentadecanoylglycerol (12-methyl-tetradecanoyl, anteiso-C15)",C42H75N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15687,,,NaN,,,,"",
cdpdddecg,"CDP-1,2-didodecanoylglycerol",C36H63N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",cdpdddecg,"",,cpd15417,MNXM4507,,NaN,,,,"",
cdpddg,"CDP-4-dehydro-6-deoxy-D-glucose",C15H21N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd00897,,,NaN,,,,"",
cdpdhdec9eg,"CDP-1,2-dihexadec-9-enoylglycerol",C44H75N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",cdpdhdec9eg,"",,cpd15418,MNXM4508,,NaN,,,,"",
cdpdhdecg,"CDP-1,2-dihexadecanoylglycerol",C44H79N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",cdpdhdecg,"",,cpd15419,MNXM3232,,NaN,,,,"",
cdpdihdecg,"CDP-1,2-diisohexadecanoylglycerol (14-methyl-pentadecanoyl, iso-C16)",C44H79N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15688,,,NaN,,,,"",
cdpdihpdecg,"CDP-1,2-diisoheptadecanoylglycerol (15-methyl-hexadecanoyl, iso-C17)",C46H83N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15683,,,NaN,,,,"",
cdpdipdecg,"CDP-1,2-diisopentadecanoylglycerol (13-methyl-tetradecanoyl, iso-C15)",C42H75N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15686,,,NaN,,,,"",
cdpditdecg,"CDP-1,2-diisotetradecanoylglycerol (12-methyl-tridecanoyl, iso-C14)",C40H71N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15685,,,NaN,,,,"",
cdpdodec11eg,"CDP-1,2-dioctadec-11-enoylglycerol",C48H83N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",cdpdodec11eg,"",,cpd15420,MNXM4509,,NaN,,,,"",
cdpdodecg,"CDP-1,2-dioctadecanoylglycerol",C48H87N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",cdpdodecg,"",,cpd15421,MNXM45856,,NaN,,,,"",
cdpdtdec7eg,"CDP-1,2-ditetradec-7-enoylglycerol",C40H67N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",cdpdtdec7eg,"",,cpd15422,MNXM4511,,NaN,,,,"",
cdpdtdecg,"CDP-1,2-ditetradecanoylglycerol",C40H71N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",cdpdtdecg,"",,cpd15423,MNXM4512,,NaN,,,,"",
cdpea,"CDP-Ethanolamine",C11H19N4O11P2,-1,446.2442,446.0603805,C00570,123727,16732,HMDB0001564,"",cdpea,cdpea,FDB022691,110296,"CDP-ETHANOLAMINE",cdpea,"",,cpd00444,MNXM449,,3538,3036-18-8,,WVIMUEUQJFPNDK-PEBGCTIMSA-M,"InChI=1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/p-1/t6-,8-,9-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C([H])([H])[N+]([H])([H])[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=NC1=O)N([H])[H]
cdpglc,"CDP-glucose",C15H23N3O16P2,-2,565.317,565.0710048,C00501,439244,477439,HMDB0003369,"",,,FDB023155,388381,"CDP-D-GLUCOSE",cdpglc,"",,cpd00390,MNXM45895,C00019342,6907,2906-23-2,,CGPHZDRCVSLMCF-JZMIEXBBSA-N,"",
cdpglyc,"CDPglycerol",C12H19N3O13P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",cdpglyc,"",,cpd00402,MNXM775,,NaN,,,,"",
CE0074,"Alloxan",C4N2O4,-2,142.0697,142.0014566,C07599,5781,730073,HMDB0002818,"",CE0074,CE0074,FDB023068,5577,"CPD-3684",CE0074,"Alloxan",,,MNXM15828,,252,50-71-5,DTXSID5044946,HIMXGTXNXJYFGB-UHFFFAOYSA-L,"InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)/p-2",[H]N1C(=O)N([H])C(=O)C(=O)C1=O
CE0233,"5Beta-Cholestane-3Alpha,7Alpha,27-Triol",C27H48O3,0,0,0,,NaN,NaN,,"",CE0233,CE0233,,NaN,"",CE0233,"",,,MNXM151435,,NaN,,,UROPIWALBBMYRP-CVWSJRAXSA-N,"InChI=1S/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19+,20-,21-,22-,23+,24-,26?,27-/m1/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])[C@]([H])(C1([H])[H])C([H])([H])[C@]([H])(O[H])[C@]1([H])[C@@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]21[H]
CE0347,"12-Hydroxyeicosatetraenoate",C20H31O3,-1,0,0,,5312983,NaN,,"",CE0347,CE0347,,NaN,"",CE0347,"",,,MNXM162888,,NaN,,,ZNHVWPKMFKADKW-FUOBAMOMSA-M,"InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/p-1/b9-7+,11-8?,13-10-,17-14?",[H]OC([H])(C(\[H])=C(\[H])/C(/[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE0469,"Gama-L-Glutamyl-L-Alanine",C8H13N2O5,-1,0,0,,11183554,NaN,,"",CE0469,,,NaN,"",CE0469,"",,,MNXM167779,,NaN,,,WQXXXVRAFAKQJM-CRCLSJGQSA-M,"InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/p-1/t4-,5+/m0/s1",[H]N(C(=O)C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@]([H])(C([O-])=O)C([H])([H])[H]
CE0692,"3-Oxolaur-Cis-5-Enoyl Coenzyme A",C33H50N7O18P3S,-4,0,0,,NaN,NaN,,"",CE0692,,,NaN,"",CE0692,"",,,MNXM166246,,NaN,,,VKLHSLOWDWGVGP-HTMDDOFJSA-J,"InChI=1S/C33H54N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h9-10,19-20,22,26-28,32,44-45H,4-8,11-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b10-9-/t22?,26?,27?,28?,32-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE0693,"3-Oxolaur-6-Cis-Enoyl Coenzyme A",C33H50N7O18P3S,-4,0,0,,NaN,NaN,,"",CE0693,CE0693,,NaN,"",CE0693,"",,,MNXM166245,,NaN,,,QERQHDHPFGSFJE-NTEQCNOVSA-J,"InChI=1S/C33H54N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h8-9,19-20,22,26-28,32,44-45H,4-7,10-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b9-8+/t22?,26?,27?,28?,32-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE0695,"Cis-Laur-5-Enoyl Coenzyme A",C33H52N7O17P3S,-4,0,0,,NaN,NaN,,"",CE0695,,,NaN,"",,"",,,,,NaN,,,RCVJZGBRLGUTKT-GMHMEAMDSA-J,"InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h9-10,20-22,26-28,32,43-44H,4-8,11-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/t22-,26-,27-,28+,32-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE0713,"3-Oxolinoleoyl Coenzyme A",C39H60N7O18P3S,-4,0,0,,NaN,NaN,,"",CE0713,CE0713,,NaN,"",CE0713,"",,,MNXM166247,,NaN,,,XROJENOQBXZHJA-OUXAGQEVSA-J,"InChI=1S/C39H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h8-9,11-12,25-26,28,32-34,38,50-51H,4-7,10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b9-8-,12-11-/t28?,32?,33?,34?,38-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE0737,"Malondialdehyde",C3H3O2,-1,72.0627,72.02112937,C19440,10964,566274,HMDB0006112,"",CE0737,CE0737,FDB008116,10499,"",CE0737,"Malondialdehyde",,,MNXM61004,,NaN,542-78-9,DTXSID90202556,QWKKIZCNXSQQRD-UHFFFAOYSA-N,"InChI=1S/C3H3O2/c4-2-1-3-5/h1-3H/q-1",[H][C-](C([H])=O)C([H])=O
CE0782,"3-Oxomyrist-7-Enoyl Coenzyme A",C35H54N7O18P3S,-4,0,0,,NaN,NaN,,"",CE0782,,,NaN,"",CE0782,"",,,MNXM166248,,NaN,,,BEPLLRGJVXAEJI-FQGPXWSMSA-J,"InChI=1S/C35H58N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h9-10,21-22,24,28-30,34,46-47H,4-8,11-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b10-9-/t24-,28-,29-,30+,34-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE0784,"Cis-Myrist-7-Enoyl Coenzyme A",C35H56N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JPIHVKICKVPFFY-CFNUXZCISA-J,"InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h9-10,22-24,28-30,34,45-46H,4-8,11-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b10-9+/t24-,28-,29-,30+,34-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE0785,"Cis,Cis-Myristo-5,8-Dienoyl Coenzyme A",C35H54N7O17P3S,-4,0,0,,21252281,NaN,,"",CE0785,CE0785,,NaN,"",,"",,,,,NaN,,,MJBZUCVXTFUVFY-MURFETPASA-J,"InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-12,22-24,28-30,34,45-46H,4-7,10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b9-8-,12-11-",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE0849,"Cis,Cis-Palmito-7,10-Dienoyl Coenzyme A",C37H58N7O17P3S,-4,0,0,,NaN,NaN,,"",CE0849,CE0849,,NaN,"",,"",,,,,NaN,,,OKKMIEAMIHILAM-ULEVOUIXSA-J,"InChI=1S/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h8-9,11-12,24-26,30-32,36,47-48H,4-7,10,13-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b9-8-,12-11-/t26?,30?,31?,32?,36-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE0853,"3-Oxopalmitoleoyl Coenzyme A",C37H58N7O18P3S,-4,0,0,,440601,NaN,,"",CE0853,,,NaN,"",CE0853,"",,,MNXM166250,,NaN,,,JDNARGYWMLYADA-HQCBLXLFSA-J,"InChI=1S/C37H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h9-10,23-24,26,30-32,36,48-49H,4-8,11-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b10-9+/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE0955,"6-Keto-prostaglandin F1a",C20H33O6,-1,370.4804,370.2355388,C05961,5280888,28158,HMDB0002886,"",CE0955,CE0955,FDB023077,4444411,"",CE0955,"",DBMET00557,,MNXM6131,,6782,58962-34-8,,KFGOFTHODYBSGM-ZUNNJUQCSA-M,"InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/p-1/b11-10+/t14-,16+,17+,18+,19-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])[C@]1([H])C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE1059,"N1,N8-Diacetylspermidine",C11H24N3O2,1,230.3272,230.186852,,44237220,NaN,HMDB0041947,"",CE1059,,,21232203,"CPD-11585",CE1059,"",,,MNXM64037,,NaN,,,BKCVMAZDKFQPHB-UHFFFAOYSA-O,"InChI=1S/C11H23N3O2/c1-10(15)13-8-4-3-6-12-7-5-9-14-11(2)16/h12H,3-9H2,1-2H3,(H,13,15)(H,14,16)/p+1",[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H]
CE1102,"Cis-(3S)-Hydroxytetradec-7-Enoyl Coenzyme A",C35H56N7O18P3S,-4,0,0,,NaN,NaN,,"",CE1102,,,NaN,"",CE1102,"",,,MNXM167439,,NaN,,,WGCARZJTIJIWSL-LFOAIQFDSA-J,"InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h9-10,21-24,28-30,34,43,46-47H,4-8,11-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b10-9-/t23?,24?,28?,29?,30?,34-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE1162,"Vitamin A2",C20H28O,0,284.4357,284.2140155,,6436043,1260188,HMDB0013117,"",,,FDB013830,4940721,"CPD-10577",CE1162,"",,,MNXM169417,,NaN,79-80-1,,XWCYDHJOKKGVHC-OVSJKPMPSA-N,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",[H]OC([H])([H])C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C1=C(C([H])=C([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H]
CE1243,"(12S)-12-hydroxyheptadeca-5,8,10-trienoic acid (12S-HHT)",C17H26O3,-1,0,0,,182416,NaN,,"",CE1243,CE1243,,NaN,"",CE1243,"",,,MNXM13995,,NaN,,,KUKJHGXXZWHSBG-INIZCTEOSA-N,"InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/t16-/m0/s1",[H]OC(\C([H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE1261,"5-S-Cysteinyldopa",C12H16N2O6S,0,0,0,C17935,10663203,NaN,,"",CE1261,CE1261,,NaN,"",,"",,,,,NaN,,,SXISMOAILJWTID-RQJHMYQMSA-N,"InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7+/m1/s1",[H]OC1=C([H])C(=C([H])C(SC([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])=C1O[H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H]
CE1262,"5-(S-L-Cysteinyl)-Dopaquinone",C12H14N2O6S,0,0,0,,NaN,NaN,,"",CE1262,,,NaN,"",,"",,,,,NaN,,,HOKJXHGZPDVBLS-RQJHMYQMSA-N,"InChI=1S/C12H14N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7+/m1/s1",[H]C1=C(C([H])=C(SC([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)C1=O)C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H]
CE1264,"Benzothiazine",C8H7NS,0,0,0,,NaN,NaN,,"",CE1264,,,NaN,"",,"",,,,,NaN,,,FBOSKQVOIHEWAX-UHFFFAOYSA-N,"InChI=1S/C8H7NS/c1-2-4-8-7(3-1)9-5-6-10-8/h1-5H,6H2",[H]C1=NC2=C([H])C([H])=C([H])C([H])=C2SC1([H])[H]
CE1272,"Cholestane-3,7,12,25-tetrol",C27H48O4,0,436.6676,436.35526,,53477712,NaN,HMDB0000655,"",CE1272,,FDB022165,21376126,"",CE1272,"",,,MNXM29720,,5627,18866-87-0,,NTIXPPFPXLYJCT-OEHUKZNASA-N,"InChI=1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17?,18?,19-,20+,21+,22?,23?,24+,26+,27-/m0/s1",[H]OC1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])(C1([H])[H])C([H])([H])C([H])(O[H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])(O[H])C([H])([H])[C@]21[H]
CE1273,"Cholestane-3,7,12,24,25-pentol",C27H48O5,0,452.667,452.3501746,,6453659,NaN,HMDB0002208,"",CE1273,CE1273,FDB022908,4956022,"",CE1273,"",,,MNXM163691,,NaN,58580-61-3,,NHPWQASMMFUHIZ-YBMOUMCLSA-N,"InChI=1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24+,26+,27-/m1/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C(O[H])(C([H])([H])[H])C([H])([H])[H]
CE1274,"3Alpha,7Alpha,12Alpha,25-Tetrahydroxy-5Beta-Cholestane-24-One",C27H46O5,0,0,0,,NaN,NaN,,"",CE1274,,,NaN,"",CE1274,"",,,MNXM151029,,NaN,,,CFVCOEMVLNMDAX-CTICLBNJSA-N,"InChI=1S/C27H46O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-21,23-24,28-29,31-32H,6-14H2,1-5H3/t15?,16?,17?,18-,19?,20?,21?,23?,24?,26+,27-/m0/s1",[H]OC1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])(C1([H])[H])C([H])([H])C([H])(O[H])C1([H])C3([H])C([H])([H])C([H])([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(O[H])(C([H])([H])[H])C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])(O[H])C([H])([H])C21[H]
CE1277,"5Beta-Cholestane-3Alpha,7Alpha,12Alpha,23,25-Pentol",C27H48O5,0,0,0,,5284212,NaN,,"",CE1277,,,NaN,"",CE1277,"",,,MNXM28106,,NaN,,,OXSBBBPDYVCAKC-YJALMVNXSA-N,"InChI=1S/C27H48O5/c1-15(10-18(29)14-25(2,3)32)19-6-7-20-24-21(13-23(31)27(19,20)5)26(4)9-8-17(28)11-16(26)12-22(24)30/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18?,19-,20+,21+,22-,23+,24+,26+,27-/m0/s1",[H]OC([H])(C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H]
CE1278,"5b-Cholestane-3a,7a,12a,25,26-pentol",C27H48O5,0,452.667,452.3501746,,5284194,NaN,HMDB0002180,"",CE1278,,FDB022890,4447282,"",CE1278,"",,,MNXM164360,,NaN,6127-75-9,,XZDHXPDYLPEFQI-FIMPYCPFSA-N,"InChI=1S/C27H48O5/c1-16(6-5-10-25(2,32)15-28)19-7-8-20-24-21(14-23(31)27(19,20)4)26(3)11-9-18(29)12-17(26)13-22(24)30/h16-24,28-32H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1",[H]OC([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H]
CE1279,"5b-Cholestane-3a,7a,12a,24,25-pentol",C27H48O5,0,452.667,452.3501746,,21252253,NaN,HMDB0000556,"",CE1279,,FDB022116,13628107,"",CE1279,"",,,MNXM164359,,5540,58469-95-7,,NHPWQASMMFUHIZ-LBIOBXQNSA-N,"InChI=1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16?,17-,18-,19+,20+,21-,22?,23+,24+,26+,27-/m0/s1",[H]OC([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])C4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C(O[H])(C([H])([H])[H])C([H])([H])[H]
CE1292,"3Beta-Hydroxy-5-Cholestene-27-Oate",C27H43O3,-1,0,0,,NaN,NaN,,"",CE1292,,,NaN,"",CE1292,"",,,MNXM163195,,NaN,,,WVXOMPRLWLXFAP-JKJRJEEJSA-M,"InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/p-1/t17?,18?,20-,21?,22?,23?,24?,26-,27+/m0/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([O-])=O)C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
CE1293,"27Alpha-Hydroxy-7-Dehydrocholesterol",C27H44O2,0,0,0,,NaN,NaN,,"",CE1293,,,NaN,"",CE1293,"",,,MNXM166031,,NaN,,,GNWMMBWMZLEFJT-KXVNWASDSA-N,"InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8-9,18-19,21,23-25,28-29H,5-7,10-17H2,1-4H3/t18?,19-,21+,23-,24-,25?,26+,27-/m1/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]2([H])C3=C([H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
CE1294,"27Alpha-Hydroxy-8-Dehydrocholesterol",C27H44O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE1294,"",,,MNXM150736,,NaN,,,WGJXMUYDCGMVJH-JFWFRRLVSA-N,"InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21,23-24,28-29H,5-7,9-17H2,1-4H3/t18?,19?,21-,23?,24?,26-,27+/m0/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3=C(C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C(=C([H])C3([H])[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C1([H])[H])C([H])([H])[H]
CE1297,"8-Dehydrocholesterol",C27H44O,0,384.6377,384.339216,,129846,NaN,HMDB0002027,"",,CE1297,FDB022805,114943,"",CE1297,"",,,MNXM164395,,NaN,70741-38-7,,VUKORTMHZDZZFR-BXAZICILSA-N,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23-24,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3=C(C([H])([H])C([H])([H])[C@@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]4([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
CE1298,"3Beta-Hydroxy-5-Cholestenal",C27H44O2,0,0,0,,NaN,NaN,,"",CE1298,,,NaN,"",CE1298,"",,,MNXM163194,,NaN,,,JUGXQEJPWDYOJV-ALJHFPOSSA-N,"InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,17-19,21-25,29H,5-7,9-16H2,1-4H3/t18?,19?,21-,22?,23+,24?,25?,26-,27+/m0/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])=O)C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
CE1310,"N-Acetyl-L-Cysteine",C5H8NO3S,-1,163.19,163.0303143,,12035,NaN,,"",CE1310,CE1310,,NaN,"",CE1310,"",,,MNXM98606,,NaN,616-91-1,DTXSID5020021,PWKSKIMOESPYIA-BYPYZUCNSA-M,"InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/p-1/t4-/m0/s1",[H]SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])[H])C([O-])=O
CE1352,"17Alpha-Hydroxypregnenolone Sulfate",C21H31O6S,-1,412.5400085,412.1919599,,152971,NaN,,"",CE1352,CE1352,,NaN,"",,"",,,,,NaN,28901-70-4,DTXSID80183103,OMOKWYAQVYBHMG-UAOVNUQGSA-M,"InChI=1S/C21H32O6S/c1-13(22)21(23)11-8-18-16-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/p-1/t15?,16-,17+,18+,19+,20+,21+/m0/s1",[H]O[C@]1(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])=C4C([H])([H])C([H])(OS([O-])(=O)=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
CE1401,"Homocysteine Thiolactone",C4H8NOS,1,0,0,,134505,NaN,,"",CE1401,CE1401,,NaN,"",CE1401,"",,,MNXM59433,,NaN,,,KIWQWJKWBHZMDT-VKHMYHEASA-O,"InChI=1S/C4H7NOS/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/p+1/t3-/m0/s1",[H][N+]([H])([H])[C@]1([H])C(=O)SC([H])([H])C1([H])[H]
CE1447,"11-Dehydrothromboxane B2",C20H31O6,-1,0,0,,440862,NaN,,"",CE1447,CE1447,,NaN,"",CE1447,"",,,MNXM9667,,NaN,,,KJYIVXDPWBUJBQ-YXZVYGOHSA-M,"InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/p-1/b7-4-,13-12?/t15-,16-,17-,18+/m0/s1",[H]O[C@]([H])(C([H])=C([H])[C@@]1([H])OC(=O)C([H])([H])[C@]([H])(O[H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE1554,"N-Acetyl-L-Alanine",C5H8NO3,-1,0,0,,132213,NaN,,"",CE1554,,,NaN,"",CE1554,"",,,MNXM19630,,NaN,,,KTHDTJVBEPMMGL-VKHMYHEASA-M,"InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)/p-1/t3-/m0/s1",[H]N(C(=O)C([H])([H])[H])[C@]([H])(C([O-])=O)C([H])([H])[H]
CE1556,"N-Acetyl-L-Asparagine",C6H9N2O4,-1,0,0,,99715,NaN,,"",CE1556,CE1556,,NaN,"",CE1556,"",,,MNXM163469,,NaN,,,HXFOXFJUNFFYMO-BYPYZUCNSA-M,"InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/p-1/t4-/m0/s1",[H]N([H])C(=O)C([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])[H])C([O-])=O
CE1562,"5,6-Indolequinone-2-Carboxylate",C9H4NO4,-1,0,0,C17938,NaN,NaN,,"",CE1562,CE1562,,NaN,"",CE1562,"",,,MNXM6292,,NaN,,,FXURFKFOPCZEKG-UHFFFAOYSA-M,"InChI=1S/C9H5NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10H,(H,13,14)/p-1",[H]N1C(=C([H])C2=C([H])C(=O)C(=O)C([H])=C12)C([O-])=O
CE1589,"Deoxycholoyl Coenzyme A",C45H70N7O19P3S,-4,0,0,,24820763,58810,,"",CE1589,CE1589,,NaN,"",CE1589,"",,,MNXM3972,,NaN,,,YTGXPYMXYISPEB-SIQRDODDSA-J,"InChI=1S/C45H74N7O19P3S/c1-24(28-9-10-29-27-8-7-25-18-26(53)12-14-44(25,4)30(27)19-32(54)45(28,29)5)6-11-34(56)75-17-16-47-33(55)13-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-32,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/p-4/t24-,25-,26-,27+,28-,29+,30+,31-,32+,36-,37-,38+,42-,44+,45-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE1617,"9-Cis-Retinoate",C20H27O2,-1,300.4419861,300.2089301,,449171,NaN,,"",CE1617,CE1617,,NaN,"",CE1617,"",,cpd11177,MNXM10472,,NaN,08-Mar-5300,DTXSID6040404,SHGAZHPCJJPHSC-PLQOLGFUSA-M,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11?,15-8-,16-14+",[H]/C(=C(/[H])\C(=C(/[H])C([O-])=O)\C([H])([H])[H])/C(/[H])=C(\C(\[H])=C(/[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H]
CE1661,"Gama-L-Glutamyl-L-Alpha-Aminobutyrate",C9H15N2O5,-1,0,0,,NaN,NaN,,"",CE1661,,,NaN,"",CE1661,"",,,MNXM167780,,NaN,,,FUZOZPRKGAXGOB-PHDIDXHHSA-M,"InChI=1S/C9H16N2O5/c1-2-6(9(15)16)11-7(12)4-3-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/p-1/t5-,6-/m1/s1",[H]OC(=O)[C@]([H])(N=C([O-])C([H])([H])C([H])([H])[C@@]([H])(N([H])[H])C(=O)O[H])C([H])([H])C([H])([H])[H]
CE1665,"Gama-Glutamylglutathione",C15H22N4O9S,-2,0,0,,NaN,NaN,,"",CE1665,,,NaN,"",CE1665,"",,,MNXM167778,,NaN,,,OGLXGJROORSDLD-IWSPIJDZSA-L,"InChI=1S/C15H24N4O9S/c16-7(14(25)26)1-3-10(20)18-8(15(27)28)2-4-11(21)19-9(6-29)13(24)17-5-12(22)23/h7-9,29H,1-6,16H2,(H,17,24)(H,18,20)(H,19,21)(H,22,23)(H,25,26)(H,27,28)/p-2/t7-,8-,9-/m1/s1",[H]OC(=O)C([H])([H])N=C(O[H])[C@]([H])(N=C([O-])C([H])([H])C([H])([H])[C@@]([H])(N=C([O-])C([H])([H])C([H])([H])[C@@]([H])(N([H])[H])C(=O)O[H])C(=O)O[H])C([H])([H])S[H]
CE1761,"4-Hydroxyvitamin A1",C20H30O2,0,0,0,,4363341,NaN,,"",CE1761,,,NaN,"",CE1761,"",,,MNXM164305,,NaN,,,IOELQUUUYMBPSA-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,19,21-22H,11,13-14H2,1-5H3",[H]OC([H])([H])C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C1=C(C([H])([H])[H])C([H])(O[H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE1787,"1-Deoxy-1-(N6-Lysino)-D-Fructose",C12H25N2O7,1,0,0,,NaN,NaN,,"",,,,NaN,"",CE1787,"",,,MNXM42,,NaN,,,BFSYFTQDGRDJNV-SNXWAXQRSA-O,"InChI=1S/C12H24N2O7/c13-7(12(20)21)3-1-2-4-14-5-8(16)10(18)11(19)9(17)6-15/h7,9-11,14-15,17-19H,1-6,13H2,(H,20,21)/p+1/t7-,9-,10+,11+/m1/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C(=O)C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H]
CE1918,"5-Hydroxytryptophol",C10H11NO2,0,177.1998,177.0789786,,9061,17890,HMDB0001855,"",,CE1918,FDB022711,8708,"CPD-11671",CE1918,"Tryptophol",,,MNXM8173,C00045185,5730,154-02-9,DTXSID80165505,KQROHCSYOGBQGJ-UHFFFAOYSA-N,"InChI=1S/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2",[H]OC1=C([H])C([H])=C2N([H])C([H])=C(C2=C1[H])C([H])([H])C([H])([H])O[H]
CE1925,"3'-Carboxy-Alpha-Chromanol",C16H21O4,-1,0,0,,9943542,NaN,,"",,CE1925,,NaN,"",CE1925,"",,,MNXM163170,,NaN,,,AXODOWFEFKOVSH-UHFFFAOYSA-M,"InChI=1S/C16H22O4/c1-9-10(2)15-12(11(3)14(9)19)5-7-16(4,20-15)8-6-13(17)18/h19H,5-8H2,1-4H3,(H,17,18)/p-1",[H]OC1=C(C2=C(OC(C([H])([H])[H])(C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C2([H])[H])C(=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE1926,"Gama-Carboxyethyl-Hydroxychroman",C15H19O4,-1,0,0,,133098,NaN,,"",,CE1926,,NaN,"",CE1926,"",,,MNXM163392,,NaN,,,VMJQLPNCUPGMNQ-UHFFFAOYSA-M,"InChI=1S/C15H20O4/c1-9-10(2)14-11(8-12(9)16)4-6-15(3,19-14)7-5-13(17)18/h8,16H,4-7H2,1-3H3,(H,17,18)/p-1",[H]OC1=C([H])C2=C(OC(C([H])([H])[H])(C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C2([H])[H])C(=C1C([H])([H])[H])C([H])([H])[H]
CE1935,"Spermine Monoaldehyde",C10H26N3O,3,0,0,,NaN,NaN,,"",CE1935,CE1935,,NaN,"",CE1935,"",,,MNXM162716,,NaN,,,ADZORAWYLNDBGZ-UHFFFAOYSA-Q,"InChI=1S/C10H23N3O/c11-5-3-8-12-6-1-2-7-13-9-4-10-14/h10,12-13H,1-9,11H2/p+3",[H]C(=O)C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
CE1936,"Spermine Dialdehyde",C10H22N2O2,2,200.2819977,200.1524779,,217390,NaN,,"",CE1936,CE1936,,NaN,"",CE1936,"",,,MNXM82536,,NaN,2578-88-3,DTXSID50180447,WPBJCXUUUSDQJO-UHFFFAOYSA-P,"InChI=1S/C10H20N2O2/c13-9-3-7-11-5-1-2-6-12-8-4-10-14/h9-12H,1-8H2/p+2",[H]C(=O)C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])=O
CE1937,"Spermic Acid 1",C10H25N3O2,2,0,0,,125245,NaN,,"",CE1937,,,NaN,"",CE1937,"",,,MNXM161256,,NaN,,,JQNGEJIUZQDHIS-UHFFFAOYSA-P,"InChI=1S/C10H23N3O2/c11-5-3-8-12-6-1-2-7-13-9-4-10(14)15/h12-13H,1-9,11H2,(H,14,15)/p+2",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE1939,"Spermidine Monoaldehyde 1",C7H18N2O,2,0,0,,145925,NaN,,"",CE1939,CE1939,,NaN,"",CE1939,"",,,MNXM162714,,NaN,,,MMMHAACFRAVQHI-UHFFFAOYSA-P,"InChI=1S/C7H16N2O/c8-4-1-2-5-9-6-3-7-10/h7,9H,1-6,8H2/p+2",[H]C(=O)C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
CE1940,"Spermidine Monoaldehyde 2",C7H18N2O,2,0,0,,19913541,NaN,,"",CE1940,CE1940,,NaN,"",CE1940,"",,,MNXM162715,,NaN,,,JNZUMEMWAPJNLC-UHFFFAOYSA-P,"InChI=1S/C7H16N2O/c8-4-3-6-9-5-1-2-7-10/h7,9H,1-6,8H2/p+2",[H]C(=O)C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
CE1941,"Isoputreanine",C7H17N2O2,1,160.2141,160.1211778,,171763,NaN,HMDB0006009,"",CE1941,,FDB023800,150153,"",CE1941,"",,,MNXM58163,,NaN,66165-33-1,DTXSID30216354,JUBNBYBUFCFLHB-UHFFFAOYSA-O,"InChI=1S/C7H16N2O2/c8-4-2-6-9-5-1-3-7(10)11/h9H,1-6,8H2,(H,10,11)/p+1",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE1943,"Spermidine Dialdehyde",C7H14NO2,1,0,0,,NaN,NaN,,"",CE1943,CE1943,,NaN,"",CE1943,"",,,MNXM162776,,NaN,,,IBZBSVBGQKDOOV-UHFFFAOYSA-O,"InChI=1S/C7H13NO2/c9-6-2-1-4-8-5-3-7-10/h6-8H,1-5H2/p+1",[H]C(=O)C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])=O
CE1944,"1-Pyrroline",C4H8N,1,69.1051,69.05784923,C15668,79803,19092,HMDB0012497,"",CE1944,CE1944,FDB008292,72096,"DELTA1-PYRROLINE_2-CARBOXYLATE",CE1944,"1-pyrroline",,,MNXM1880,,NaN,5724-81-2,,ZVJHJDDKYZXRJI-UHFFFAOYSA-O,"InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2/p+1",[H]C1=[N+]([H])C([H])([H])C([H])([H])C1([H])[H]
CE1950,"Cyanosulfurous acid anion",CH2NO2S,0,92.097,91.980624,,NaN,NaN,HMDB0012916,"",,CE1950,FDB029207,NaN,"",,"",,,,,NaN,,,QYFNKYSGTDITHU-UHFFFAOYSA-N,"InChI=1S/CH2NO2S/c2-1-5(3)4/h3-4H",[H]O[S](O[H])C#N
CE1957,"4-Hydroxy-3-Nitrophenylacetate",C8H5NO5,-2,0,0,,447364,NaN,,"",CE1957,,,NaN,"",CE1957,"",,,MNXM31169,,NaN,,,QBHBHOSRLDPIHG-UHFFFAOYSA-L,"InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)/p-2",[H]C1=C([H])C(=C([H])C(=C1[O-])[N+]([O-])=O)C([H])([H])C([O-])=O
CE2006,"4-Hydroxynonenal",C9H16O2,0,156.2221,156.1150298,,5283344,58968,HMDB0004362,"",,CE2006,FDB001438,4446465,"",CE2006,"4-Hydroxynonenal",,,MNXM6110,C00000447,NaN,75899-68-2,DTXSID4040395,JVJFIQYAHPMBBX-UHFFFAOYSA-N,"InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3",[H]OC([H])(C([H])=C([H])C([H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2011,"Hypothiocyanite",CHNOS,0,75.09,74.97788435,,124985,133907,HMDB0012974,"",CE2011,,FDB029228,111270,"",CE2011,"Hypothiocyanite",,,MNXM57006,,NaN,63296-34-4,DTXSID20276285,ZCZCOXLLICTZAH-UHFFFAOYSA-N,"InChI=1S/CHNOS/c2-1-4-3/h3H",[H]OSC#N
CE2020,"N-arachidonoylglycinate",C22H34NO3,-1,360.519,360.2544175,,40486877,59002,HMDB0062617,"",CE2020,,,NaN,"",CE2020,"",,,MNXM63653,,NaN,,,YLEARPUNMCCKMP-DOFZRALJSA-M,"InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/p-1/b7-6-,10-9-,13-12-,16-15-",[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([O-])=O
CE2026,"3-Methylcrotonoylglycine",C7H10NO3,-1,0,0,,169485,NaN,,"",CE2026,CE2026,,NaN,"",CE2026,"",,,MNXM166207,,NaN,,,PFWQSHXPNKRLIV-UHFFFAOYSA-M,"InChI=1S/C7H11NO3/c1-5(2)3-6(9)8-4-7(10)11/h3H,4H2,1-2H3,(H,8,9)(H,10,11)/p-1",[H]N(C(=O)C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([O-])=O
CE2028,"3-Hydroxyisovaleric acid",C5H8O3,-1,118.1311,118.0629942,,69362,37084,HMDB0000754,"",CE2028,CE2028,FDB022225,62571,"",CE2028,"",,,MNXM36533,,5722,625-08-1,DTXSID20211535,AXFYFNCPONWUHW-UHFFFAOYSA-N,"InChI=1S/C5H10O3/c1-5(2,8)3-4(6)7/h8H,3H2,1-2H3,(H,6,7)",[H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([O-])=O
CE2038,"Trans-2,3-Dehydropristanoyl Coenzyme A",C40H66N7O17P3S,-4,0,0,,56927963,NaN,,"",,CE2038,,NaN,"",,"",,,,,NaN,,,WLOASZHRLIOYIA-TXRROMTDSA-J,"InChI=1S/C40H70N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h16,23-27,29,32-34,38,49-50H,8-15,17-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/b28-16+/t26?,27?,29-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(=C(/[H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE2047,"9,10-DHOME",C18H33O4,-1,314.4602,314.2457096,C14828,9966640,NaN,HMDB0004704,"",,CE2047,FDB023415,8142232,"",CE2047,"",,,MNXM93048,,NaN,,,XEBKSQSGNGRGDW-YFHOEESVSA-M,"InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/p-1/b10-7-",[H]OC([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE2049,"12,13-DHOME",C18H33O4,-1,314.4602,314.2457096,C14829,10236635,NaN,HMDB0004705,"",,CE2049,FDB023416,8412123,"",CE2049,"",,,MNXM163104,,NaN,,,CQSLTKIXAJTQGA-FLIBITNWSA-M,"InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/p-1/b11-8-",[H]OC([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2053,"20-Oxo-Leukotriene B4",C20H29O5,-1,0,0,,3081088,NaN,,"",CE2053,CE2053,,NaN,"",CE2053,"",,,MNXM35503,,NaN,,,LVLQYGYNBVIONY-NMDIHKAGSA-M,"InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/p-1/b5-4?,7-3-,13-8-,14-9+/t18-,19-/m1/s1",[H]O[C@@]([H])(C([H])=C([H])C([H])=C([H])C([H])=C([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=O
CE2056,"20-Dihydroxyleukotriene B4",C20H31O6,-1,0,0,,53481509,NaN,,"",,CE2056,,NaN,"",CE2056,"",,,MNXM35484,,NaN,,,ZZSBUQYGAPWEOJ-OVHHSNGPSA-M,"InChI=1S/C20H32O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-19,21-24H,1,3,9-11,14-16H2,(H,25,26)/p-1/b5-4+,6-2-,12-7?,13-8-/t17-,18-/m0/s1",[H]OC([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@]([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE2061,"Trans-4,5-Epoxy-2(E)-Decenal",C10H16O2,0,0,0,,526708,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HIOMEXREAUSUBP-FNORWQNLSA-N,"InChI=1S/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3/b7-5+",[H]C(=O)C(\[H])=C(/[H])C1([H])OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2065,"Acetylcarnosine",C11H15N4O4,-1,268.2730103,268.117155,,10221026,NaN,,"",CE2065,,,NaN,"",CE2065,"",,,MNXM40087,,NaN,56353-15-2,DTXSID30204897,BKAYIFDRRZZKNF-SECBINFHSA-M,"InChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/p-1/t9-/m1/s1",[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[C@@]([H])(C([O-])=O)C([H])([H])C1=C([H])N=C([H])N1[H]
CE2072,"Putreanine",C7H17N2O2,1,161.2221,161.1290028,,53477800,89478,HMDB0006078,"",CE2072,,FDB023827,21232259,"",CE2072,"",,,MNXM95678,,NaN,25887-39-2,DTXSID20180535,BTSHXVLJDRJCMM-UHFFFAOYSA-O,"InChI=1S/C7H16N2O2/c8-4-1-2-5-9-6-3-7(10)11/h9H,1-6,8H2,(H,10,11)/p+1",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE2084,"5-Oxo-(6E,8Z,11Z,14Z)-Eicosatetraenoic Acid",C20H29O3,-1,0,0,,1831,NaN,,"",CE2084,CE2084,,NaN,"",CE2084,"",,,MNXM94297,,NaN,,,MEASLHGILYBXFO-UHFFFAOYSA-M,"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/p-1",[H]C(C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=C([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE2088,"N-Acetyl-S-[2-Carboxy-1-(1 H-Imidazol-4-Yl)Ethyl]-L-Cysteine",C11H13N3O5S,-2,0,0,,NaN,NaN,,"",,CE2088,,NaN,"",CE2088,"",,,MNXM168488,,NaN,,,ODJTWSKDMRCRTN-VEDVMXKPSA-L,"InChI=1S/C11H15N3O5S/c1-6(15)14-8(11(18)19)4-20-9(2-10(16)17)7-3-12-5-13-7/h3,5,8-9H,2,4H2,1H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/p-2/t8-,9?/m1/s1",[H]OC(=O)[C@]([H])(N=C([O-])C([H])([H])[H])C([H])([H])SC([H])(C1=C([H])N=C([H])N1[H])C([H])([H])C([O-])=O
CE2089,"S-[2-Carboxy-1-(1 H-Imidazol-4-Yl)Ethyl]-L-Cysteine",C9H12N3O4S,-1,0,0,,NaN,NaN,,"",,CE2089,,NaN,"",CE2089,"",,,MNXM165124,,NaN,,,ABJUPPXFQYZWTK-FOUAAFFMSA-M,"InChI=1S/C9H13N3O4S/c10-5(9(15)16)3-17-7(1-8(13)14)6-2-11-4-12-6/h2,4-5,7H,1,3,10H2,(H,11,12)(H,13,14)(H,15,16)/p-1/t5-,7?/m1/s1",[H]OC(=O)[C@]([H])(N([H])[H])C([H])([H])SC([H])(C1=C([H])N=C([H])N1[H])C([H])([H])C([O-])=O
CE2095,"3-Hydroxykynurenine-O-Beta-D-Glucoside",C16H22N2O9,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE2095,"",,,MNXM163184,,NaN,,,SYBDIVKHFDAAJV-RBDCUATOSA-N,"InChI=1S/C16H22N2O9/c17-7(15(24)25)4-8(20)6-2-1-3-9(11(6)18)26-16-14(23)13(22)12(21)10(5-19)27-16/h1-3,7,10,12-14,16,19,21-23H,4-5,17-18H2,(H,24,25)/t7-,10+,12-,13-,14-,16+/m1/s1",[H]OC([H])([H])[C@]1([H])O[C@]([H])(OC2=C([H])C([H])=C([H])C(C(=O)C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])=C2N([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H]
CE2102,"Lipoyllysine",C14H26N2O3S2,0,334.498,334.1384841,,53481572,NaN,HMDB0012996,"",,,FDB029239,NaN,"Protein-6-N-lipoyl-lysine",CE2102,"",,,MNXM60228,,NaN,20902-53-8,,COTIXRRJLCSLLS-PIJUOVFKSA-N,"InChI=1S/C14H26N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11-8-10-20-21-11/h11-12H,1-10,15H2,(H,16,17)(H,18,19)/t11?,12-/m1/s1",[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])SSC([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H]
CE2119,"Cyclic 3-Hydroxymelatonin",C13H16N2O3,0,0,0,,NaN,NaN,,"",CE2119,,,NaN,"",,"",,,,,NaN,,,VADOSKJWFKUPQF-UHFFFAOYSA-N,"InChI=1S/C13H16N2O3/c1-8(16)15-6-5-13(17)10-7-9(18-2)3-4-11(10)14-12(13)15/h3-4,7,12,14,17H,5-6H2,1-2H3",[H]OC12C3=C(N([H])C1([H])N(C(=O)C([H])([H])[H])C([H])([H])C2([H])[H])C([H])=C([H])C(OC([H])([H])[H])=C3[H]
CE2120,"6-Hydroxymelatonin-Sulfate",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,TXSYIENJFACIJX-UHFFFAOYSA-L,"InChI=1S/C13H16N2O3.H2O4S/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11;1-5(2,3)4/h5-7,15,17H,3-4H2,1-2H3,(H,14,16);(H2,1,2,3,4)/p-2",[O-]S([O-])(=O)=O.[H]Oc1c([H])c2nc([H])c(c2c([H])c1OC([H])([H])[H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H]
CE2122,"Indole-3-methyl acetate",C11H11NO2,0,189.2105,189.0789786,,74706,72782,HMDB0029738,"",CE2122,,FDB000936,67279,"CPD-10546",CE2122,"",,,MNXM12249,C00000101,NaN,1912-33-0,DTXSID40172639,KTHADMDGDNYQRX-UHFFFAOYSA-N,"InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3",[H]N1C([H])=C(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C(=O)OC([H])([H])[H]
CE2152,"1,2,3,4-Tetrahydro-Beta-Carboline",C11H13N2,1,0,0,,107838,NaN,,"",,,,NaN,"",CE2152,"",,,MNXM32042,,NaN,,,CFTOTSJVQRFXOF-UHFFFAOYSA-O,"InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2/p+1",[H]N1C2=C([H])C([H])=C([H])C([H])=C2C2=C1C([H])([H])[N+]([H])([H])C([H])([H])C2([H])[H]
CE2153,"6-Hydroxy-1,2,3,4-Tetrahydro-Beta-Carboline",C11H13N2O,1,0,0,,159959,NaN,,"",CE2153,,,NaN,"",CE2153,"",,,MNXM166635,,NaN,,,HASNCBJLQYTILW-UHFFFAOYSA-O,"InChI=1S/C11H12N2O/c14-7-1-2-10-9(5-7)8-3-4-12-6-11(8)13-10/h1-2,5,12-14H,3-4,6H2/p+1",[H]OC1=C([H])C([H])=C2N([H])C3=C(C2=C1[H])C([H])([H])C([H])([H])[N+]([H])([H])C3([H])[H]
CE2172,"Norsalsolinol",C9H12NO2,1,165.1891,165.0789786,,36937,110006,HMDB0006044,"",CE2172,CE2172,FDB023817,33891,"",CE2172,"",,,MNXM166603,,NaN,34827-33-3,DTXSID90188366,MBFUSGLXKQWVDW-UHFFFAOYSA-O,"InChI=1S/C9H11NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-4,10-12H,1-2,5H2/p+1",[H]OC1=C([H])C2=C(C([H])=C1O[H])C([H])([H])[N+]([H])([H])C([H])([H])C2([H])[H]
CE2173,"N-methyl-4,6,7-trihydroxy-1,2,3,4-tetrahydroisoquinoline",C10H13NO3,0,195.2151,195.0895433,,NaN,NaN,HMDB0060065,"",CE2173,,,NaN,"",CE2173,"",,,MNXM158565,,NaN,,,PIJDIPDQQMXWEM-UHFFFAOYSA-N,"InChI=1S/C10H13NO3/c1-11-4-6-2-8(12)9(13)3-7(6)10(14)5-11/h2-3,10,12-14H,4-5H2,1H3",[H]OC1=C(O[H])C([H])=C2C(=C1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])O[H]
CE2174,"4,6,7-Trihydroxy-1,2,3,4-Tetrahydroisoquinoline",C9H12NO3,1,0,0,,3016280,NaN,,"",CE2174,,,NaN,"",CE2174,"",,,MNXM151064,,NaN,,,RNIMUEXSLJYHIE-UHFFFAOYSA-O,"InChI=1S/C9H11NO3/c11-7-1-5-3-10-4-9(13)6(5)2-8(7)12/h1-2,9-13H,3-4H2/p+1",[H]OC1=C([H])C2=C(C([H])=C1O[H])C([H])(O[H])C([H])([H])[N+]([H])([H])C2([H])[H]
CE2176,"3-Methoxytyrosine",C10H13NO4,0,211.2145,211.0844579,,1670,NaN,HMDB0001434,"",CE2176,CE2176,FDB022620,1607,"",CE2176,"",,,MNXM10073,,NaN,7636-26-2,,PFDUUKDQEHURQC-UHFFFAOYSA-N,"InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)",[H]OC1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H]
CE2180,"4-Hydroxyestrone",C18H22O3,0,286.3655,286.1568946,,53477797,87602,HMDB0005895,"",CE2180,,FDB023786,8146843,"",CE2180,"4-Hydroxyestrone",DBMET00332,,MNXM37528,,NaN,3131-23-5,,XQZVQQZZOVBNLU-KQWCVQSUSA-N,"InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11?,12?,14?,18-/m1/s1",[H]OC1=C([H])C([H])=C2C(=C1O[H])C([H])([H])C([H])([H])C1([H])C3([H])C([H])([H])C([H])([H])C(=O)[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])C21[H]
CE2183,"2-Hydroxy-3-Methoxy-17Beta-Estradiol",C19H26O3,0,0,0,,NaN,NaN,,"",CE2183,,,NaN,"",CE2183,"",,,MNXM165923,,NaN,,,MMKYSUOJWFKECQ-WRWXEFHESA-N,"InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12?,13?,15?,18-,19-/m0/s1",[H]OC1=C(OC([H])([H])[H])C([H])=C2C(=C1[H])C1([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C3([H])C1([H])C([H])([H])C2([H])[H]
CE2184,"2-Hydroxy-3-methoxyestrone",C19H24O3,0,300.3921,300.1725446,,53480676,NaN,HMDB0011195,"",CE2184,,FDB021866,NaN,"",CE2184,"",,,MNXM35123,,NaN,,,YBCPNMOFBUWYTP-ACOLZQMSSA-N,"InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12?,13?,15?,19-/m1/s1",[H]OC1=C([H])C2=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])([H])C1([H])C3([H])C([H])([H])C([H])([H])C(=O)[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])C21[H]
CE2186,"4-Methoxy-17beta-estradiol",C19H26O3,0,302.4079,302.1881947,C05302,53481522,28955,HMDB0012782,"",CE2186,,FDB029173,23976543,"",CE2186,"2-Methoxyestradiol",,,MNXM37599,,NaN,362-07-2,DTXSID3040938,BCWZIZLVBYHFES-BHFCKAAKSA-N,"InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12?,13?,15?,17-,19-/m0/s1",[H]OC1=C(OC([H])([H])[H])C2=C(C([H])=C1[H])C1([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C3([H])C1([H])C([H])([H])C2([H])[H]
CE2189,"4-Methoxyestrone",C19H24O3,0,0,0,,194066,NaN,,"",CE2189,,,NaN,"",CE2189,"",,,MNXM151212,,NaN,,,PUEXVLNGOBYUEW-BFDPJXHCSA-N,"InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1",[H]OC1=C(OC([H])([H])[H])C2=C(C([H])=C1[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]3(C(=O)C([H])([H])C([H])([H])[C@@]3([H])[C@]1([H])C([H])([H])C2([H])[H])C([H])([H])[H]
CE2196,"(R)-1,2-Dimethyl-5,6-Dihydroxy-Tetrahydroisoquinoline",C11H16NO2,1,0,0,,53481438,NaN,,"",CE2196,,,NaN,"",CE2196,"",,,MNXM31535,,NaN,,,AASFZUCQPYZSBW-SSDOTTSWSA-O,"InChI=1S/C11H15NO2/c1-7-8-3-4-10(13)11(14)9(8)5-6-12(7)2/h3-4,7,13-14H,5-6H2,1-2H3/p+1/t7-/m1/s1",[H]OC1=C([H])C([H])=C2C(=C1O[H])C([H])([H])C([H])([H])[N+]([H])(C([H])([H])[H])[C@]2([H])C([H])([H])[H]
CE2201,"23S,25-dihydroxyvitamin D3",C27H44O3,0,416.6365,416.3290453,,13072270,NaN,HMDB0006720,"",CE2201,,FDB024038,NaN,"",CE2201,"",,,MNXM30699,,NaN,77733-16-5,,JVBPQHSRTHJMLM-IPPNCLEESA-N,"InChI=1S/C27H44O3/c1-18-8-11-22(28)16-21(18)10-9-20-7-6-14-27(5)24(12-13-25(20)27)19(2)15-23(29)17-26(3,4)30/h9-10,19,22-25,28-30H,1,6-8,11-17H2,2-5H3/b20-9-,21-10-/t19-,22+,23+,24-,25+,27-/m1/s1",[H]O[C@@]([H])(C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C(=C([H])C([H])=C3C(=C([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C3([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H]
CE2202,"23S,25,26-Trihydroxyvitamin D3",C27H44O4,0,0,0,,17756748,NaN,,"",CE2202,,,NaN,"",CE2202,"",,,MNXM30695,,NaN,,,GDIBDBUYVICGLY-VVFBGWIOSA-N,"InChI=1S/C27H44O4/c1-18-7-10-22(29)15-21(18)9-8-20-6-5-13-27(4)24(11-12-25(20)27)19(2)14-23(30)16-26(3,31)17-28/h8-9,19,22-25,28-31H,1,5-7,10-17H2,2-4H3/b20-8+,21-9-/t19-,22+,23+,24-,25+,26?,27-/m1/s1",[H]OC([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])\C(=C(/[H])\C(\[H])=C3/C(=C([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C3([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
CE2203,"25-Hydroxyvitamin D3-26,23-Lactol",C27H42O4,0,0,0,,NaN,NaN,,"",CE2203,,,NaN,"",CE2203,"",,,MNXM150729,,NaN,,,SFOPTSUKUQDFIB-RFGRQNGBSA-N,"InChI=1S/C27H42O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-25,28-30H,1,5-7,10-16H2,2-4H3/b19-8-,20-9-/t18-,21-,22-,23-,24+,25-,26-,27-/m0/s1",[H]O[C@]1([H])O[C@]([H])(C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]3([H])C(=C([H])C([H])=C4C(=C([H])[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])C4([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]23C([H])([H])[H])C([H])([H])[C@]1(O[H])C([H])([H])[H]
CE2204,"25-Hydroxyvitamin D3-26,23-Lactone",C27H40O4,0,0,0,,NaN,NaN,,"",CE2204,,,NaN,"",CE2204,"",,,MNXM150730,,NaN,,,IJNDMZIDDKVXHR-IBHSMSMOSA-N,"InChI=1S/C27H40O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-24,28,30H,1,5-7,10-16H2,2-4H3/b19-8+,20-9-/t18-,21-,22-,23-,24+,26-,27-/m0/s1",[H]O[C@@]1([H])C([H])([H])C(=C([H])C([H])=C2C([H])([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3([H])[C@]([H])(C([H])([H])[H])C([H])([H])[C@@]2([H])OC(=O)[C@@](O[H])(C([H])([H])[H])C2([H])[H])C(=C([H])[H])C([H])([H])C1([H])[H]
CE2206,"24-Oxo-1Alpha,25-Dihydroxyvitamin D3",C27H42O4,0,0,0,,5283703,NaN,,"",,,,NaN,"",CE2206,"",,,MNXM4159,,NaN,,,BWFQMABKLLTETH-YGQRWWDYSA-N,"InChI=1S/C27H42O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-24,28-29,31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,27-/m1/s1",[H]O[C@]1([H])C(=C([H])[H])\C(=C(\[H])/C(/[H])=C2\C([H])([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C1([H])[H]
CE2207,"24-Oxo-1Alpha,23,25-Trihydroxyvitamin D3",C27H42O5,0,0,0,,10478755,NaN,,"",,,,NaN,"",CE2207,"",,,MNXM6501,,NaN,,,ARRIBDAUGOLZSJ-QEEPAQDXSA-N,"InChI=1S/C27H42O5/c1-16(13-24(30)25(31)26(3,4)32)21-10-11-22-18(7-6-12-27(21,22)5)8-9-19-14-20(28)15-23(29)17(19)2/h8-9,16,20-24,28-30,32H,2,6-7,10-15H2,1,3-5H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24?,27-/m1/s1",[H]OC([H])(C(=O)C(O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])\C(=C(/[H])\C(\[H])=C3/C(=C([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C3([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
CE2209,"Dihydroandrosterone",C19H32O2,0,292.4562,292.2402303,,15818,36713,HMDB0000554,"",CE2209,CE2209,FDB022114,15039,"",CE2209,"",,,MNXM90931,,5538,1852-53-5,DTXSID3022378,CBMYJHIOYJEBSB-KHOSGYARSA-N,"InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])[C@@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
CE2211,"Allopregnanolone",C21H34O2,0,0,0,C13712,92786,50169,HMDB0001449,"",,CE2211,FDB022630,83760,"",CE2211,"Allopregnanolone",,,MNXM3494,,NaN,516-54-1,,AURFZBICLPNKBZ-SYBPFIFISA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])(C(=O)C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]23[H])C1([H])[H]
CE2242,"(2E)-Docosenoyl Coenzyme A",C43H72N7O17P3S,-4,0,0,,NaN,NaN,,"",CE2242,CE2242,,NaN,"",CE2242,"",,,MNXM97615,,NaN,,,KRTIFNFQCJTGMV-ULDZQISASA-J,"InChI=1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h22-23,30-32,36-38,42,53-54H,4-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b23-22+/t32?,36?,37?,38?,42-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2243,"(2E)-Eicosenoyl Coenzyme A",C41H68N7O17P3S,-4,0,0,,NaN,NaN,,"",CE2243,CE2243,,NaN,"",CE2243,"",,,MNXM163905,,NaN,,,ROOFWBIMBMJYGA-XTSUOFIPSA-J,"InChI=1S/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h20-21,28-30,34-36,40,51-52H,4-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/t30-,34+,35+,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE2245,"(2E)-Tetracosenoyl Coenzyme A",C45H76N7O17P3S,-4,0,0,,NaN,NaN,,"",CE2245,CE2245,,NaN,"",CE2245,"",,,MNXM165192,,NaN,,,UVJKZCSQLMWPMV-BWKDRKIHSA-J,"InChI=1S/C45H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h24-25,32-34,38-40,44,55-56H,4-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b25-24+/t34?,38?,39?,40?,44-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2246,"3-Hydroxydocosanoyl Coenzyme A",C43H74N7O18P3S,-4,0,0,,25229586,NaN,,"",CE2246,CE2246,,NaN,"",CE2246,"",,,MNXM162568,,NaN,,,VNJQSRVXTRJVAZ-VFEFGGRMSA-J,"InChI=1S/C43H78N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-32,36-38,42,51,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/t31?,32-,36-,37-,38+,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE2247,"3-Hydroxyeicosanoyl Coenzyme A",C41H70N7O18P3S,-4,0,0,,25229587,NaN,,"",CE2247,CE2247,,NaN,"",CE2247,"",,,MNXM146349,,NaN,,,KNSVYMFEJLUJST-JGMKGAMOSA-J,"InChI=1S/C41H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-30,34-36,40,49,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/t29?,30-,34-,35-,36+,40-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE2248,"3-Hydroxyoctadecanoyl Coenzyme A",C39H66N7O18P3S,-4,0,0,,24906329,NaN,,"",,CE2248,,NaN,"",CE2248,"",,cpd14936,MNXM1309,,NaN,,,WZMAIEGYXCOYSH-FWBOWLIOSA-J,"InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/t27?,28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE2249,"3-Hydroxytetracosanoyl Coenzyme A",C45H78N7O18P3S,-4,0,0,,25229585,NaN,,"",CE2249,CE2249,,NaN,"",CE2249,"",,,MNXM163185,,NaN,,,QIBKBVRVOFIKLN-SBQSWANMSA-J,"InChI=1S/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-34,38-40,44,53,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/t33?,34-,38-,39-,40+,44-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE2250,"3-Oxodocosanoyl Coenzyme A",C43H72N7O18P3S,-4,0,0,,25229584,NaN,,"",CE2250,CE2250,,NaN,"",CE2250,"",,,MNXM36756,,NaN,,,RKCOGGUHKPTOQJ-DZMJXSBZSA-J,"InChI=1S/C43H76N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-30,32,36-38,42,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/t32-,36-,37-,38+,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE2251,"3-Oxoeicosanoyl Coenzyme A",C41H68N7O18P3S,-4,0,0,,25229571,NaN,,"",CE2251,CE2251,,NaN,"",CE2251,"",,,MNXM36762,,NaN,,,FYBVHNZJDVUVLJ-GXYUEDDASA-J,"InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-28,30,34-36,40,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/t30-,34-,35-,36+,40-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE2253,"3-Oxotetracosanoyl Coenzyme A",C45H76N7O18P3S,-4,0,0,,25229583,NaN,,"",CE2253,CE2253,,NaN,"",CE2253,"",,,MNXM36773,,NaN,,,JJSJTIWFKNSCHC-YOUZJQHUSA-J,"InChI=1S/C45H80N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-32,34,38-40,44,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/t34-,38-,39-,40+,44-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE2303,"9-Hydroxy-10-O-D-Glucuronoside-12Z-Octadecenoate",C24H40O10,-2,0,0,,NaN,NaN,,"",,,,NaN,"",CE2303,"",,,MNXM151630,,NaN,,,OERHNMHLKBHOMH-DETUFGJMSA-L,"InChI=1S/C24H42O10/c1-2-3-4-5-8-11-14-17(16(25)13-10-7-6-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h8,11,16-17,19-22,24-25,28-30H,2-7,9-10,12-15H2,1H3,(H,26,27)(H,31,32)/p-2/t16-,17-,19-,20+,21-,22-,24-/m0/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@@]([H])(O[C@@]1([H])O[C@]([H])(C([O-])=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2304,"10-Hydroxy-Octadec-12Z-Enoate-9-Beta-D-Glucuronide",C24H40O10,-2,0,0,,NaN,NaN,,"",,,,NaN,"",CE2304,"",,,MNXM150158,,NaN,,,IRADJQUIAYBZPY-GLAAHQCOSA-L,"InChI=1S/C24H42O10/c1-2-3-4-5-7-10-13-16(25)17(14-11-8-6-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h7,10,16-17,19-22,24-25,28-30H,2-6,8-9,11-15H2,1H3,(H,26,27)(H,31,32)/p-2/b10-7-/t16-,17-,19-,20+,21-,22-,24-/m0/s1",[H]O[C@]([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[C@]1([H])O[C@@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE2305,"12-Hydroxy-13-O-D-Glucuronoside-Octadec-9Z-Enoate",C24H40O10,-2,0,0,,NaN,NaN,,"",,,,NaN,"",CE2305,"",,,MNXM150189,,NaN,,,WDJRXGFYLUIKBX-GRIBZEQKSA-L,"InChI=1S/C24H42O10/c1-2-3-10-13-16(25)17(14-11-8-6-4-5-7-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h8,11,16-17,19-22,24-25,28-30H,2-7,9-10,12-15H2,1H3,(H,26,27)(H,31,32)/p-2/b11-8-/t16-,17-,19-,20+,21-,22-,24-/m0/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(O[C@@]1([H])O[C@]([H])(C([O-])=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE2306,"12-O-D-Glucuronoside-13-Hydroxyoctadec-9Z-Enoate",C24H40O10,-2,0,0,,NaN,NaN,,"",,,,NaN,"",CE2306,"",,,MNXM150196,,NaN,,,ZWDYIYOIBZOENK-GRIBZEQKSA-L,"InChI=1S/C24H42O10/c1-2-3-10-14-17(33-24-21(30)19(28)20(29)22(34-24)23(31)32)16(25)13-11-8-6-4-5-7-9-12-15-18(26)27/h8,11,16-17,19-22,24-25,28-30H,2-7,9-10,12-15H2,1H3,(H,26,27)(H,31,32)/p-2/b11-8-/t16-,17-,19-,20+,21-,22-,24-/m0/s1",[H]O[C@]([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(O[C@]1([H])O[C@@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2313,"4,4-Dimethylcholesta-8(9),14-Dien-3Beta-Ol",C29H48O,0,0,0,,NaN,NaN,,"",,CE2313,,NaN,"",CE2313,"",,,MNXM166287,,NaN,,,OGQJUYXFIOFTMA-SZLISJLNSA-N,"InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h13,19-20,22,25-26,30H,8-12,14-18H2,1-7H3/t20?,22-,25?,26+,28-,29-/m0/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C3=C(C4=C([H])C([H])([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C2([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE2314,"4,4-Dimethyl-5a-cholesta-8-en-3b-ol",C29H50O,0,414.7067,414.3861662,C15915,23724604,NaN,HMDB0006840,"",,CE2314,FDB024113,NaN,"",CE2314,"",,,MNXM5534,,NaN,,,FYHRVINOXYETMN-HFPXORMNSA-N,"InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-20,22-23,25-26,30H,8-18H2,1-7H3/t20-,22-,23?,25+,26+,28-,29-/m1/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C3=C(C([H])([H])C([H])([H])[C@@]2([H])C1(C([H])([H])[H])C([H])([H])[H])C1([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])[H]
CE2345,"7Alpha-Hydroxy-3-Oxo-4-Cholestenoic Acid Anion",C27H41O4,-1,0,0,,NaN,NaN,,"",CE2345,,,NaN,"",CE2345,"",,,MNXM164390,,NaN,,,SATGKQGFUDXGAX-KFNQEEOWSA-M,"InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/p-1/t16-,17?,20?,21?,22?,23-,24?,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C(=O)C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3([H])C12[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([O-])=O)C([H])([H])[H]
CE2414,"Phytanic acid",C20H39O2,-1,312.5304,312.3028305,C01607,26840,16285,HMDB0000801,"",,,FDB022252,25001,"",CE2414,"Phytanic acid",,,MNXM165293,,5765,14721-66-5,,RLCKHJSFHOZMDR-UHFFFAOYSA-M,"InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/p-1",[H]C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([O-])=O
CE2417,"3(S)-Hydroxy-5Z,8Z-Tetradecadienoyl Coenzyme A",C35H54N7O18P3S,-4,0,0,,NaN,NaN,,"",CE2417,CE2417,,NaN,"",CE2417,"",,,MNXM166068,,NaN,,,TUMMXOLSCVKROK-IGNRKQBUSA-J,"InChI=1S/C35H58N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-25(44)64-17-15-37-34(48)56-22-41-32(47)29(46)35(2,3)14-16-61(49,50)60-63(54,55)57-19-24-28(59-62(51,52)53)27(45)33(58-24)42-21-40-26-30(36)38-20-39-31(26)42/h8-9,11-12,20-21,23-24,27-29,33,43,45-46H,4-7,10,13-19,22H2,1-3H3,(H,37,48)(H,41,47)(H,49,50)(H,54,55)(H2,36,38,39)(H2,51,52,53)/p-4/b9-8-,12-11-/t23?,24?,27?,28?,29?,33-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])OC(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])P([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2418,"(3S)-3-Hydroxy-cis,cis-palmito-7,10-dienoyl-CoA",C37H58N7O18P3S,-4,1013.879,1013.277188,,53481423,NaN,HMDB0012473,"",CE2418,CE2418,FDB029083,NaN,"",CE2418,"",,,MNXM31113,,NaN,,,FODZOBVFWXSQFM-JUUBWDNMSA-J,"InChI=1S/C37H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h8-9,11-12,23-26,30-32,36,45,48-49H,4-7,10,13-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b9-8-,12-11-/t25-,26+,30-,31-,32?,36+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE2420,"(3S)-3-Hydroxydodec-cis-6-enoyl-CoA",C33H52N7O18P3S,-4,959.788,959.2302381,,53481428,NaN,HMDB0012476,"",CE2420,CE2420,FDB029086,NaN,"",CE2420,"",,,MNXM31119,,NaN,,,XPCGRNRSXHPWGU-IDCSGFPPSA-J,"InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h8-9,19-22,26-28,32,41,44-45H,4-7,10-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b9-8-/t21-,22+,26-,27-,28?,32+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE2421,"(3S)-3-Hydroxylinoleoyl-CoA",C39H62N7O18P3S,-4,1041.932,1041.308488,,53481430,NaN,HMDB0012477,"",CE2421,CE2421,FDB029087,NaN,"",CE2421,"",,,MNXM31120,,NaN,,,ICMPOMMDSLXBOC-VDDVCRISSA-J,"InChI=1S/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h8-9,11-12,25-28,32-34,38,47,50-51H,4-7,10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b9-8-,12-11-/t27-,28+,32-,33-,34?,38+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE2422,"3-Oxo-Cis,Cis-7,10-Hexadecadienoyl Coenzyme A",C37H56N7O18P3S,-4,0,0,,NaN,NaN,,"",CE2422,CE2422,,NaN,"",CE2422,"",,,MNXM166235,,NaN,,,KNNRGBNFOIBVKN-ULEVOUIXSA-J,"InChI=1S/C37H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h8-9,11-12,23-24,26,30-32,36,48-49H,4-7,10,13-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b9-8-,12-11-/t26?,30?,31?,32?,36-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2424,"3-Oxo-Cis,Cis-5,8-Tetradecadienoyl Coenzyme A",C35H52N7O18P3S,-4,0,0,,NaN,NaN,,"",CE2424,CE2424,,NaN,"",CE2424,"",,,MNXM166234,,NaN,,,XOCYFFRISHLAMW-MURFETPASA-J,"InChI=1S/C35H56N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h8-9,11-12,21-22,24,28-30,34,46-47H,4-7,10,13-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b9-8-,12-11-",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2432,"Trans-2-Cis,Cis-5,8-Tetradecatrienoyl Coenzyme A",C35H52N7O17P3S,-4,0,0,,NaN,NaN,,"",CE2432,CE2432,,NaN,"",,"",,,,,NaN,,,JSDPYDDAJCNOIE-ZIFDZGMNSA-J,"InChI=1S/C35H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-12,14-15,22-24,28-30,34,45-46H,4-7,10,13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b9-8-,12-11-,15-14+/t24?,28?,29?,30?,34-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2433,"Trans,Cis,Cis-2,7,10-Hexadecatrienoyl Coenzyme A",C37H56N7O17P3S,-4,0,0,,NaN,NaN,,"",,CE2433,,NaN,"",,"",,,,,NaN,,,WJHWJZSGWIEAAU-MKELHTCUSA-J,"InChI=1S/C37H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h8-9,11-12,16-17,24-26,30-32,36,47-48H,4-7,10,13-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b9-8-,12-11-,17-16+/t26?,30?,31?,32?,36-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2434,"Trans,Cis,Cis-2,9,12-Octadecatrienoyl Coenzyme A",C39H60N7O17P3S,-4,0,0,,NaN,NaN,,"",CE2434,CE2434,,NaN,"",,"",,,,,NaN,,,XNZJYLZAYIJRPB-WRLNWUIESA-J,"InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,18-19,26-28,32-34,38,49-50H,4-7,10,13-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b9-8-,12-11-,19-18+/t28?,32?,33?,34?,38-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2437,"2E,6Z,9Z,12Z-Octadecatetraenoyl Coenzyme A",C39H58N7O17P3S,-4,0,0,,NaN,NaN,,"",CE2437,CE2437,,NaN,"",,"",,,,,NaN,,,ARCCYNRJAHXWRR-GLFJJHKKSA-J,"InChI=1S/C39H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,14-15,18-19,26-28,32-34,38,49-50H,4-7,10,13,16-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b9-8-,12-11-,15-14-,19-18?/t28?,32?,33?,34?,38-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2438,"3(S)-Hydroxy-6Z,9Z,12Z-Octadecatrienoyl Coenzyme A",C39H60N7O18P3S,-4,0,0,,NaN,NaN,,"",CE2438,CE2438,,NaN,"",,"",,,,,NaN,,,JCYIHBAQURWSOM-IVFOVFFGSA-J,"InChI=1S/C39H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h8-9,11-12,14-15,25-28,32-34,38,47,50-51H,4-7,10,13,16-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b9-8-,12-11-,15-14-/t27?,28?,32?,33?,34?,38-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2439,"3-Oxo-6Z,9Z,12Z-Octadecatrienoyl Coenzyme A",C39H58N7O18P3S,-4,0,0,,NaN,NaN,,"",CE2439,CE2439,,NaN,"",,"",,,,,NaN,,,MXEGJRWBNSTXJD-CGCMWYNUSA-J,"InChI=1S/C39H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h8-9,11-12,14-15,25-26,28,32-34,38,50-51H,4-7,10,13,16-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b9-8-,12-11-,15-14-/t28?,32?,33?,34?,38-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2440,"4Z,7Z,10Z-Hexadecatrienoyl Coenzyme A",C37H56N7O17P3S,-4,0,0,,NaN,NaN,,"",,CE2440,,NaN,"",,"",,,,,NaN,,,YYLOAXRAIXUEOW-SWAOFMSXSA-J,"InChI=1S/C37H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h8-9,11-12,14-15,24-26,30-32,36,47-48H,4-7,10,13,16-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b9-8-,12-11-,15-14-/t26?,30?,31?,32?,36-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2441,"2E,4Z,7Z,10Z-Hexadecatetraenoyl Coenzyme A",C37H54N7O17P3S,-4,0,0,,NaN,NaN,,"",CE2441,CE2441,,NaN,"",,"",,,,,NaN,,,DNBBSGAGPHVPCV-MZONPMEBSA-J,"InChI=1S/C37H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h8-9,11-12,14-17,24-26,30-32,36,47-48H,4-7,10,13,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b9-8-,12-11-,15-14-,17-16+/t26?,30?,31?,32?,36-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2442,"3Z,7Z,10Z-Hexadecatrienoyl Coenzyme A",C37H56N7O17P3S,-4,0,0,,NaN,NaN,,"",CE2442,CE2442,,NaN,"",,"",,,,,NaN,,,ZNIIDPYHPPJCFQ-UPURPSNISA-J,"InChI=1S/C37H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h8-9,11-12,15-16,24-26,30-32,36,47-48H,4-7,10,13-14,17-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b9-8-,12-11?,16-15-/t26?,30?,31?,32?,36-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2445,"6-trans-Leukotriene B4",C20H31O4,0,336.4657,336.2300595,,5283128,63981,HMDB0005087,"",CE2445,CE2445,FDB023625,4446252,"",CE2445,"",,,MNXM48977,,NaN,71652-82-9,,VNYSSYRCGWBHLG-WUCRUUDWSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10?,15-11+/t18-,19-/m1/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])[C@]([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])[C@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2446,"6-trans-12-epi-Leukotriene B4",C20H31O4,-1,336.4657,336.2300595,,5283129,63982,HMDB0005088,"",,,FDB023626,4446253,"",CE2446,"",,,MNXM164381,,NaN,71548-19-1,,VNYSSYRCGWBHLG-IZPFSQSFSA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/p-1/b8-7+,9-6-,14-10?,15-11+",[H]OC([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2449,"11,12-Dihydroxy-5(E),7(E),9(E),14(Z)-Eicosatetraenoate",C20H31O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WVWVHLGTIQIEQY-RFCWCTBRSA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6-10,12-13,16,18-19,21-22H,2-5,11,14-15,17H2,1H3,(H,23,24)/p-1/b8-6+,10-7+,12-9+,16-13+",[H]OC([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])(O[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2510,"Eicosenoic acid",C20H37O2,0,310.5145,310.2871805,C16526,5282768,32425,HMDB0002231,"",CE2510,CE2510,FDB012569,4445895,"",CE2510,"Eicosenoic acid",,cpd16341,MNXM165514,C00035628,6563,26764-41-0,,BITHHVVYSMSWAG-KTKRTIGZSA-M,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/p-1/b10-9-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2516,"8,11,14-Eicosatrienoic acid",C20H33O2,-1,306.4828,306.2558803,C03242,5280581,53486,HMDB0002925,"",,,FDB023082,4444199,"CPD-7196",CE2516,"DGLA",,,MNXM5607,,259,1783-84-2,,HOBAELRKJCKHQD-UHFFFAOYSA-M,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/p-1",[H]C(=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2537,"15(S)-Hydroxyeicosatrienoic acid",C20H33O3,0,322.4822,322.250795,,5283145,17897,HMDB0005045,"",,CE2537,FDB023608,4446269,"",CE2537,"",,,MNXM165539,,NaN,13-16-1,,IUKXMNDGTWTNTP-OAHXIXLCSA-N,"InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,17-14+/t19-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2539,"9-Hydroxyoctadecadienoate",C18H31O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NPDSHTNEKLQQIJ-ZJHFMPGASA-M,"InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/p-1/b8-6-,14-11+",[H]OC([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE2565,"15R-Hydroxy-5Z,8Z,11Z,13E-Eicosatetraenoic Acid",C20H31O3,-1,0,0,,3246888,NaN,,"",,,,NaN,"",CE2565,"",,,MNXM33399,,NaN,,,JSFATNQSLKRBCI-IBGZPJMESA-M,"InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/p-1/t19-/m0/s1",[H]O[C@]([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2566,"5(S),6(S)-Epoxy-15(R)-Hydroxyeicosatetraenoate",C20H29O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE2566,"",,,MNXM162637,,NaN,,,YNHSGCYEQVDEOY-VCUQBBRCSA-M,"InChI=1S/C20H30O4/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18-19(24-18)15-11-16-20(22)23/h4-7,9-10,13-14,17-19,21H,2-3,8,11-12,15-16H2,1H3,(H,22,23)/p-1/b6-4?,7-5?,13-9?,14-10+/t17-,18+,19-/m0/s1",[H]O[C@]([H])(C([H])=C([H])C([H])=C([H])C([H])=C([H])C(\[H])=C(/[H])[C@@]1([H])O[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2567,"5(S),6(S)-Epoxy-15(S)-Hydroxy-7E,9E,11Z,13E-Eicosatetraenoic Acid Anion",C20H29O4,-1,0,0,,NaN,NaN,,"",CE2567,CE2567,,NaN,"",CE2567,"",,,MNXM162458,,NaN,,,YNHSGCYEQVDEOY-RQVGWZDASA-M,"InChI=1S/C20H30O4/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18-19(24-18)15-11-16-20(22)23/h4-7,9-10,13-14,17-19,21H,2-3,8,11-12,15-16H2,1H3,(H,22,23)/p-1/b6-4?,7-5+,13-9?,14-10-/t17-,18-,19-/m0/s1",[H]O[C@]([H])(C([H])=C([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])=C([H])[C@]1([H])O[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2568,"15-Epi-Lipoxin A4",C20H31O5,-1,0,0,,3934,NaN,,"",,,,NaN,"",CE2568,"",,,MNXM38672,,NaN,,,IXAQOQZEOGMIQS-ZTSPYCFWSA-M,"InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,13-9?,14-10+/t17-,18-,19-/m1/s1",[H]O[C@@]([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2569,"15-Epi-Lipoxin B4",C20H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE2569,"",,,MNXM33428,,NaN,,,UXVRTOKOJOMENI-HYHJBNTLSA-M,"InChI=1S/C20H32O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,12-9?,15-10+/t17-,18-,19-/m1/s1",[H]O[C@]([H])(C([H])=C([H])C([H])=C([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE2576,"4-Hydroperoxy-2-Nonenal",C9H16O3,0,0,0,,55189,NaN,,"",,CE2576,,NaN,"",CE2576,"",,,MNXM14753,,NaN,,,TVNYLRYVAZWBEH-FNORWQNLSA-N,"InChI=1S/C9H16O3/c1-2-3-4-6-9(12-11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+",[H]OOC([H])(C(\[H])=C(/[H])C([H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2577,"4-Oxo-2-nonenal",C9H14O2,0,154.2063,154.0993797,,NaN,58972,HMDB0060285,"",,CE2577,,NaN,"",CE2577,"",,,MNXM7935,,NaN,,,SEPPVOUBHWNCAW-FNORWQNLSA-N,"InChI=1S/C9H14O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-8H,2-4,6H2,1H3/b7-5+",[H]C(=O)C(\[H])=C(/[H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2591,"Trans,Cis-Hexadeca-2,9-Dienoyl Coenzyme A",C37H58N7O17P3S,-4,0,0,,NaN,NaN,,"",CE2591,,,NaN,"",,"",,,,,NaN,,,BEQWCBBSKHMRCA-PTOQVCNNSA-J,"InChI=1S/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,16-17,24-26,30-32,36,47-48H,4-8,11-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b10-9-,17-16+/t26?,30?,31?,32?,36-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2592,"(S)-3-hydroxypalmitoleoyl-CoA",C37H60N7O18P3S,-4,1015.895,1015.292838,,53481439,NaN,HMDB0012487,"",CE2592,,FDB029094,NaN,"",CE2592,"",,,MNXM31749,,NaN,,,ZIRSQPAPHGZDIL-HKQFKPPYSA-J,"InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h9-10,23-26,30-32,36,45,48-49H,4-8,11-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b10-9-/t25-,26+,30-,31-,32?,36+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE2594,"Trans,Cis-Myristo-2,7-Dienoyl Coenzyme A",C35H54N7O17P3S,-4,0,0,,NaN,NaN,,"",CE2594,,,NaN,"",,"",,,,,NaN,,,MWKSUVQQMPJTPP-JENWRTLWSA-J,"InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h9-10,14-15,22-24,28-30,34,45-46H,4-8,11-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b10-9-,15-14+/t24-,28-,29-,30+,34-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE2596,"Trans,Cis-Dodeca-2,5-Dienoyl Coenzyme A",C33H50N7O17P3S,-4,0,0,,NaN,NaN,,"",CE2596,,,NaN,"",,"",,,,,NaN,,,ZSJRXHRCABOSNC-WBVBYKIGSA-J,"InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h9-10,12-13,20-22,26-28,32,43-44H,4-8,11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b10-9-,13-12+",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE2597,"3(S)-3-hydroxydodecen-(5Z)-oyl-CoA",C33H52N7O18P3S,-4,959.788,959.2302381,,53481515,NaN,HMDB0012674,"",CE2597,,FDB029167,NaN,"",CE2597,"",,,MNXM166067,,NaN,,,AYORDFMYYBNSBO-JPJFQEQPSA-J,"InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h9-10,19-22,26-28,32,41,44-45H,4-8,11-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b10-9-/t21-,22+,26-,27-,28?,32+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE2615,"2-Hydroxyamino-3,8-Dimethylimidazo[4,5-F]Quinoxaline",C11H11N5O,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE2615,"",,,MNXM164138,,NaN,,,FVNCCTJGBOTWTM-UHFFFAOYSA-N,"InChI=1S/C11H11N5O/c1-6-5-12-7-3-4-8-10(9(7)13-6)14-11(15-17)16(8)2/h3-5,17H,1-2H3,(H,14,15)",[H]ON([H])C1=NC2=C(C([H])=C([H])C3=NC([H])=C(N=C23)C([H])([H])[H])N1C([H])([H])[H]
CE2616,"2-Hydroxyamino-Meiqx-N2-(Beta-1-Glucosiduronyl)-2-Hydroxyamino-3,8-Dimethylimidazo[4,5-F]Quinoxaline",C17H18N5O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE2616,"",,,MNXM165945,,NaN,,,KQXABOQRCQHWAK-KHMAMNHCSA-M,"InChI=1S/C17H19N5O7/c1-6-5-18-7-3-4-8-10(9(7)19-6)20-17(21(8)2)22(28)15-13(25)11(23)12(24)14(29-15)16(26)27/h3-5,11-15,23-25,28H,1-2H3,(H,26,27)/p-1/t11-,12+,13-,14-,15+/m1/s1",[H]ON(C1=NC2=C(C([H])=C([H])C3=NC([H])=C(N=C23)C([H])([H])[H])N1C([H])([H])[H])[C@@]1([H])O[C@@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
CE2705,"Dihydrobiopterin",C9H13N5O3,0,239.2312,239.1018393,C02953,252,64277,HMDB0000038,"",CE2705,CE2705,FDB021884,247,"CPD-15159",CE2705,"Dihydrobiopterin",,,MNXM90267,,5106,6779-87-9,,FEMXZDUTFRTWPE-UHFFFAOYSA-N,"InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)",[H]OC([H])(C1=NC2=C(N([H])C(=NC2=O)N([H])[H])N([H])C1([H])[H])C([H])(O[H])C([H])([H])[H]
CE2725,"9,10-Epoxy-12Z-Octadecenoic Acid",C18H31O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XGWQFZNNYMWXIK-DEFDFUCDSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7-8,10-11,16-17H,2-6,9,12-15H2,1H3,(H,19,20)/b10-7-,11-8-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C1([H])OC1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2726,"7,8-Epoxy-(4Z,10Z)-Hexadecadienoic Acid",C16H24O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ZRBUVGKXCDZZIE-VRHVFUOLSA-N,"InChI=1S/C16H26O3/c1-2-3-4-5-6-8-11-14-15(19-14)12-9-7-10-13-16(17)18/h6-9,14-15H,2-5,10-13H2,1H3,(H,17,18)/b8-6-,9-7-",[H]OC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C1([H])OC1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2727,"5,6-Epoxy-(8Z)-Tetradecenoic Acid",C14H22O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,RNYSJEVWJSVSCN-SREVYHEPSA-N,"InChI=1S/C14H24O3/c1-2-3-4-5-6-7-9-12-13(17-12)10-8-11-14(15)16/h6-7,12-13H,2-5,8-11H2,1H3,(H,15,16)/b7-6-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C1([H])OC1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2728,"10,11-Epoxy-(4Z,7Z)-Hexadecadienoic Acid",C16H25O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HJZUGOWXTPCJAW-BSIYMUDXSA-N,"InChI=1S/C16H26O3/c1-2-3-8-11-14-15(19-14)12-9-6-4-5-7-10-13-16(17)18/h5-7,9,14-15H,2-4,8,10-13H2,1H3,(H,17,18)/b7-5-,9-6-",[H]OC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C1([H])OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2729,"8,9-Epoxy-(5Z)-Tetradecenoic Acid",C16H25O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HVKRACIOWWVFEP-DAXSKMNVSA-N,"InChI=1S/C14H24O3/c1-2-3-6-9-12-13(17-12)10-7-4-5-8-11-14(15)16/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,15,16)/b7-4-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C1([H])OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE2751,"Dynorphin A (1-5)",C28H37N5O7,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE2751,"",,,MNXM164752,,NaN,,,URLZCHNOLZSCCA-XPWALMASSA-N,"InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22+,23-/m1/s1",[H]OC(=O)[C@]([H])(N=C(O[H])[C@@]([H])(N=C(O[H])C([H])([H])N=C(O[H])C([H])([H])N=C(O[H])[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
CE2754,"3,3,5 - Triiodothyronine",C15H12I3NO4,0,0,0,C07639,53393659,28774,,"",,,,NaN,"",CE2754,"",,,MNXM690,,NaN,,,HZCBWYNLGPIQRK-GFCCVEGCSA-N,"InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)/t12-/m1/s1",[H]OC1=C(I)C([H])=C(OC2=C(I)C([H])=C(C([H])=C2[H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C([H])=C1I
CE2838,"Maltononaose",C54H92O46,0,1477.2807,1476.485976,,53481575,NaN,HMDB0013001,"",,CE2838,FDB029241,NaN,"",CE2838,"",,,MNXM61030,,NaN,6471-60-9,DTXSID60215057,KEFAHNNQIPSIMC-WMKZAYDFSA-N,"InChI=1S/C54H92O46/c55-1-10-19(64)20(65)30(75)47(85-10)94-39-12(3-57)87-49(32(77)22(39)67)96-41-14(5-59)89-51(34(79)24(41)69)98-43-16(7-61)91-53(36(81)26(43)71)100-45-18(9-63)92-54(37(82)28(45)73)99-44-17(8-62)90-52(35(80)27(44)72)97-42-15(6-60)88-50(33(78)25(42)70)95-40-13(4-58)86-48(31(76)23(40)68)93-38-11(2-56)84-46(83)29(74)21(38)66/h10-83H,1-9H2/t10-,11+,12-,13+,14-,15+,16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41-,42+,43-,44+,45-,46?,47-,48+,49-,50+,51-,52+,53-,54-/m0/s1",[H]OC([H])([H])[C@]1([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[C@]5([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]7([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]8([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]9([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])(O[H])O[C@]9([H])C([H])([H])O[H])O[C@]8([H])C([H])([H])O[H])O[C@]7([H])C([H])([H])O[H])O[C@]6([H])C([H])([H])O[H])O[C@@]5([H])C([H])([H])O[H])O[C@@]4([H])C([H])([H])O[H])O[C@@]3([H])C([H])([H])O[H])O[C@@]2([H])C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
CE2839,"Maltodecaose",C60H102O51,0,1639.4213,1638.538799,,53481573,NaN,HMDB0012999,"",,CE2839,FDB029240,NaN,"",CE2839,"",,,MNXM61023,,NaN,37331-89-8,DTXSID1020358,RJQKKZNUWRIHCS-VBNQBVOGSA-N,"InChI=1S/C60H102O51/c61-1-11-21(71)22(72)33(83)52(94-11)104-43-13(3-63)96-54(35(85)24(43)74)106-45-15(5-65)98-56(37(87)26(45)76)108-47-17(7-67)100-58(39(89)28(47)78)110-49-19(9-69)102-60(41(91)30(49)80)111-50-20(10-70)101-59(40(90)31(50)81)109-48-18(8-68)99-57(38(88)29(48)79)107-46-16(6-66)97-55(36(86)27(46)77)105-44-14(4-64)95-53(34(84)25(44)75)103-42-12(2-62)93-51(92)32(82)23(42)73/h11-92H,1-10H2/t11-,12+,13-,14+,15-,16+,17-,18+,19-,20-,21-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33-,34+,35-,36+,37-,38+,39-,40-,41-,42+,43-,44+,45-,46+,47-,48+,49-,50-,51?,52-,53+,54-,55+,56-,57+,58-,59-,60-/m0/s1",[H]OC([H])([H])[C@]1([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[C@]5([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[C@]6([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[C@@]7([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]8([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]9([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]%10([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])(O[H])O[C@]%10([H])C([H])([H])O[H])O[C@]9([H])C([H])([H])O[H])O[C@]8([H])C([H])([H])O[H])O[C@]7([H])C([H])([H])O[H])O[C@@]6([H])C([H])([H])O[H])O[C@@]5([H])C([H])([H])O[H])O[C@@]4([H])C([H])([H])O[H])O[C@@]3([H])C([H])([H])O[H])O[C@@]2([H])C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
CE2846,"Fructoselysine 3-Phosphate",C12H24N2O10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE2846,"",,,MNXM167748,,NaN,,,OXAQHBGIHTYFQQ-SNXWAXQRSA-M,"InChI=1S/C12H25N2O10P/c13-7(12(19)20)3-1-2-4-14-5-8(16)11(24-25(21,22)23)10(18)9(17)6-15/h7,9-11,14-15,17-18H,1-6,13H2,(H,19,20)(H2,21,22,23)/p-1/t7-,9-,10+,11+/m1/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(OP([O-])([O-])=O)C(=O)C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H]
CE2847,"Fructoseglycine",C8H15NO7,0,237.2072,237.0848518,,3081391,24108,HMDB0060278,"",,,,2339006,"FRUCTOSEGLYCINE",CE2847,"",,,MNXM53921,,NaN,,DTXSID70196101,YGUYJMQMTNJNFS-LPBLVHEISA-N,"InChI=1S/C8H15NO7/c10-3-5(12)8(16)7(15)4(11)1-9-2-6(13)14/h5,7-10,12,15-16H,1-3H2,(H,13,14)/t5-,7-,8-/m1/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C(=O)C([H])([H])[N+]([H])([H])C([H])([H])C([O-])=O
CE2848,"Fructoseglycine Ketone 3-Phosphate",C8H14NO10P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",CE2848,"",,,MNXM167747,,NaN,,,UHXLZGRCSYVONF-VYNVVFCLSA-L,"InChI=1S/C8H16NO10P/c9-3(8(14)15)1-4(11)7(19-20(16,17)18)6(13)5(12)2-10/h3,5-7,10,12-13H,1-2,9H2,(H,14,15)(H2,16,17,18)/p-2/t3-,5+,6-,7-/m1/s1",[H]OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OP([O-])(=O)O[H])C(=O)C([H])([H])[C@@]([H])(N([H])[H])C([O-])=O
CE2858,"Dynorphin A 1-8",C46H74N14O10,2,0,0,,53481552,NaN,,"",,,,NaN,"",CE2858,"",,,MNXM51736,,NaN,,,WRPLGMBDXVBPEG-PUGOIMMUSA-P,"InChI=1S/C46H72N14O10/c1-5-27(4)38(44(69)70)60-41(66)33(14-10-20-53-46(50)51)57-40(65)32(13-9-19-52-45(48)49)58-42(67)34(21-26(2)3)59-43(68)35(23-28-11-7-6-8-12-28)56-37(63)25-54-36(62)24-55-39(64)31(47)22-29-15-17-30(61)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,61H,5,9-10,13-14,19-25,47H2,1-4H3,(H,54,62)(H,55,64)(H,56,63)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,69,70)(H4,48,49,52)(H4,50,51,53)/p+2/t27-,31-,32+,33+,34?,35+,38-/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])C([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C([O-])=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[N+]([H])([H])[H]
CE2862,"Neurotensin 1-10",C57H91N18O16,1,0,0,,53481584,NaN,,"",,,,NaN,"",CE2862,"",,,MNXM165013,,NaN,,,HRJVZMYUVJBTHQ-AYDUOSKHSA-O,"InChI=1S/C57H90N18O16/c1-30(2)27-38(71-47(82)34-18-20-44(78)66-34)49(84)72-39(28-31-14-16-32(76)17-15-31)50(85)67-35(19-21-45(79)80)48(83)73-40(29-43(59)77)51(86)70-36(9-3-4-22-58)53(88)74-25-7-12-41(74)52(87)68-33(10-5-23-64-56(60)61)46(81)69-37(11-6-24-65-57(62)63)54(89)75-26-8-13-42(75)55(90)91/h14-17,30,33-42,76H,3-13,18-29,58H2,1-2H3,(H2,59,77)(H,66,78)(H,67,85)(H,68,87)(H,69,81)(H,70,86)(H,71,82)(H,72,84)(H,73,83)(H,79,80)(H,90,91)(H4,60,61,64)(H4,62,63,65)/p+1/t33-,34+,35+,36+,37+,38+,39-,40+,41-,42-/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]1([H])N([H])C(=O)C([H])([H])C1([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([O-])=O
CE2863,"Neurotensin 11-13",C21H33N3O5,0,407.5038,407.2420212,,53481585,NaN,HMDB0013024,"",,,FDB029252,NaN,"",CE2863,"",,,MNXM64523,,NaN,,,HVPPEXXUDXAPOM-WOFBESPQSA-N,"InChI=1S/C21H33N3O5/c1-5-13(4)18(20(27)23-17(21(28)29)10-12(2)3)24-19(26)16(22)11-14-6-8-15(25)9-7-14/h6-9,12-13,16-18,25H,5,10-11,22H2,1-4H3,(H,23,27)(H,24,26)(H,28,29)/t13?,16-,17-,18+/m1/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[N+]([H])([H])[H]
CE2866,"3,3-Diiodo-L-Thyronine",C15H13I2NO4,0,0,0,,107564,NaN,,"",,CE2866,,NaN,"",CE2866,"",,,MNXM1986,,NaN,,,CPCJBZABTUOGNM-LBPRGKRZSA-N,"InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1",[H]OC1=C(I)C([H])=C(OC2=C(I)C([H])=C(C([H])=C2[H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C([H])=C1[H]
CE2870,"3,3-Diiodo-L-Thyronine 4-O-Sulfate",C15H12I2NO7S,-1,0,0,,NaN,NaN,,"",,CE2870,,NaN,"",CE2870,"",,,MNXM164192,,NaN,,,NBAZIIRGURJZJA-LBPRGKRZSA-M,"InChI=1S/C15H13I2NO7S/c16-10-5-8(6-12(18)15(19)20)1-3-13(10)24-9-2-4-14(11(17)7-9)25-26(21,22)23/h1-5,7,12H,6,18H2,(H,19,20)(H,21,22,23)/p-1/t12-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(OC2=C([H])C([H])=C(OS([O-])(=O)=O)C(I)=C2[H])C(I)=C1[H]
CE2872,"3,5-Diiodo-L-Thyronine",C15H13I2NO4,0,0,0,,67894139,NaN,,"",,CE2872,,NaN,"",CE2872,"",,,MNXM9935,,NaN,,,LROTZSUGDZPWDN-CYBMUJFWSA-N,"InChI=1S/C15H13I2NO4/c16-11-6-10(7-12(17)14(11)19)22-9-3-1-8(2-4-9)5-13(18)15(20)21/h1-4,6-7,13,19H,5,18H2,(H,20,21)/t13-/m1/s1",[H]OC1=C(I)C([H])=C(OC2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C([H])=C1I
CE2873,"3,5-Diiodo-L-Thyronine 4-O-Sulfate",C15H12I2NO7S,-1,0,0,,NaN,NaN,,"",,CE2873,,NaN,"",,"",,,,,NaN,,,BVGCAAVTXFZYKS-ZDUSSCGKSA-M,"InChI=1S/C15H13I2NO7S/c16-11-6-10(7-12(17)14(11)25-26(21,22)23)24-9-3-1-8(2-4-9)5-13(18)15(19)20/h1-4,6-7,13H,5,18H2,(H,19,20)(H,21,22,23)/p-1/t13-/m0/s1",[H]C1=C([H])C(=C([H])C([H])=C1OC1=C([H])C(I)=C(OS([O-])(=O)=O)C(I)=C1[H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H]
CE2874,"3-Monoiodo-L-Thyronine",C15H14INO4,0,0,0,,NaN,NaN,,"",,CE2874,,NaN,"",CE2874,"",,,MNXM169240,,NaN,,,SXQVOFSDWXYIRP-UHFFFAOYSA-N,"InChI=1S/C15H14INO4/c16-12-7-9(8-13(17)15(19)20)1-6-14(12)21-11-4-2-10(18)3-5-11/h1-7,13,18H,8,17H2,(H,19,20)",[H]OC1=C([H])C([H])=C(OC2=C(I)C([H])=C(C([H])=C2[H])C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H])C([H])=C1[H]
CE2875,"3-Monoiodo-L-Thyronine 4-O-Sulfate",C15H13INO7S,-1,0,0,,NaN,NaN,,"",,CE2875,,NaN,"",CE2875,"",,,MNXM150752,,NaN,,,HPQMRLCNKPMUJD-ZDUSSCGKSA-M,"InChI=1S/C15H14INO7S/c16-12-8-11(5-6-14(12)24-25(20,21)22)23-10-3-1-9(2-4-10)7-13(17)15(18)19/h1-6,8,13H,7,17H2,(H,18,19)(H,20,21,22)/p-1/t13-/m0/s1",[H]C1=C([H])C(OS([O-])(=O)=O)=C(I)C([H])=C1OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H]
CE2876,"3,5-Diiodo-L-Thyronine-Beta-D-Glucuronoside",C21H20I2NO10,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE2876,"",,,MNXM150745,,NaN,,,YRBUOLMYUUYBEK-SLMSLRRSSA-M,"InChI=1S/C21H21I2NO10/c22-11-6-10(32-9-3-1-8(2-4-9)5-13(24)19(28)29)7-12(23)17(11)33-21-16(27)14(25)15(26)18(34-21)20(30)31/h1-4,6-7,13-16,18,21,25-27H,5,24H2,(H,28,29)(H,30,31)/p-1/t13-,14+,15-,16+,18+,21-/m0/s1",[H]O[C@]1([H])[C@]([H])(OC2=C(I)C([H])=C(OC3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C([H])=C2I)O[C@]([H])(C([O-])=O)[C@]([H])(O[H])[C@]1([H])O[H]
CE2877,"3,5,3,5-Tetraiodo-L-Thyronine-Beta-D-Glucuronoside",C21H18I4NO10,-1,0,0,,NaN,NaN,,"",CE2877,,,NaN,"",CE2877,"",,,MNXM166090,,NaN,,,RGHRJBIKIYUHEV-PWZDMWIRSA-M,"InChI=1S/C21H19I4NO10/c22-8-1-6(3-12(26)19(30)31)2-9(23)16(8)34-7-4-10(24)17(11(25)5-7)35-21-15(29)13(27)14(28)18(36-21)20(32)33/h1-2,4-5,12-15,18,21,27-29H,3,26H2,(H,30,31)(H,32,33)/p-1/t12-,13+,14-,15+,18+,21?/m1/s1",[H]OC(=O)[C@@]1([H])OC([H])(OC2=C(I)C([H])=C(OC3=C(I)C([H])=C(C([H])=C3I)C([H])([H])[C@@]([H])(N([H])[H])C([O-])=O)C([H])=C2I)[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
CE2878,"3,3,5-Triiodo-L-Thyronine-Beta-D-Glucuronoside",C21H19I3NO10,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE2878,"",,,MNXM166073,,NaN,,,JEHVAYWAGFSNHA-UKJVJLCYSA-M,"InChI=1S/C21H20I3NO10/c22-9-3-7(4-12(25)19(29)30)1-2-13(9)33-8-5-10(23)17(11(24)6-8)34-21-16(28)14(26)15(27)18(35-21)20(31)32/h1-3,5-6,12,14-16,18,21,26-28H,4,25H2,(H,29,30)(H,31,32)/p-1/t12-,14+,15-,16+,18+,21?/m1/s1",[H]OC(=O)[C@@]1([H])OC([H])(OC2=C(I)C([H])=C(OC3=C(I)C([H])=C(C([H])=C3[H])C([H])([H])[C@@]([H])(N([H])[H])C([O-])=O)C([H])=C2I)[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
CE2879,"3,5,3-Triiodo-L-Thyronine-Beta-D-Glucuronoside",C21H19I3NO10,-1,0,0,,NaN,NaN,,"",CE2879,,,NaN,"",CE2879,"",,,MNXM166093,,NaN,,,YYFGGGCINNGOLE-UKJVJLCYSA-M,"InChI=1S/C21H20I3NO10/c22-9-6-8(33-17-10(23)3-7(4-11(17)24)5-12(25)19(29)30)1-2-13(9)34-21-16(28)14(26)15(27)18(35-21)20(31)32/h1-4,6,12,14-16,18,21,26-28H,5,25H2,(H,29,30)(H,31,32)/p-1/t12-,14+,15-,16+,18+,21?/m1/s1",[H]OC(=O)[C@@]1([H])OC([H])(OC2=C(I)C([H])=C(OC3=C(I)C([H])=C(C([H])=C3I)C([H])([H])[C@@]([H])(N([H])[H])C([O-])=O)C([H])=C2[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
CE2880,"3,3-Diiodo-L-Thyronine-Beta-D-Glucuronoside",C21H20I2NO10,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE2880,"",,,MNXM166076,,NaN,,,ADIQFGLSNXTCEF-QDVJOMROSA-M,"InChI=1S/C21H21I2NO10/c22-10-5-8(6-12(24)19(28)29)1-3-13(10)32-9-2-4-14(11(23)7-9)33-21-17(27)15(25)16(26)18(34-21)20(30)31/h1-5,7,12,15-18,21,25-27H,6,24H2,(H,28,29)(H,30,31)/p-1/t12-,15+,16-,17+,18+,21?/m1/s1",[H]OC(=O)[C@@]1([H])OC([H])(OC2=C([H])C([H])=C(OC3=C(I)C([H])=C(C([H])=C3[H])C([H])([H])[C@@]([H])(N([H])[H])C([O-])=O)C([H])=C2I)[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
CE2881,"3,5,3,5-Tetraiodothyroacetate",C14H7I4O4,-1,0,0,,65552,NaN,,"",,,,NaN,"",CE2881,"",,,MNXM166091,,NaN,,,PPJYSSNKSXAVDB-UHFFFAOYSA-M,"InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20)/p-1",[H]OC1=C(I)C([H])=C(OC2=C(I)C([H])=C(C([H])=C2I)C([H])([H])C([O-])=O)C([H])=C1I
CE2882,"3,3,5-Triiodothyroacetate",C14H8I3O4,-1,0,0,,22660069,NaN,,"",,,,NaN,"",CE2882,"",,,MNXM166074,,NaN,,,XLWNVHQIKWRWOE-UHFFFAOYSA-M,"InChI=1S/C14H9I3O4/c15-9-3-7(4-13(18)19)1-2-12(9)21-8-5-10(16)14(20)11(17)6-8/h1-3,5-6,20H,4H2,(H,18,19)/p-1",[H]OC1=C(I)C([H])=C(OC2=C(I)C([H])=C(C([H])=C2[H])C([H])([H])C([O-])=O)C([H])=C1I
CE2883,"3,5,3-Triiodothyroacetate",C14H8I3O4,-1,0,0,,5803,NaN,,"",,,,NaN,"",CE2883,"",,,MNXM166094,,NaN,,,UOWZUVNAGUAEQC-UHFFFAOYSA-M,"InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)/p-1",[H]OC1=C(I)C([H])=C(OC2=C(I)C([H])=C(C([H])=C2I)C([H])([H])C([O-])=O)C([H])=C1[H]
CE2884,"3,5-Diiodothyroacetate",C14H9I2O4,-1,0,0,,4532725,NaN,,"",,,,NaN,"",CE2884,"",,,MNXM166036,,NaN,,,KOTHYHWAVXIZEJ-UHFFFAOYSA-M,"InChI=1S/C14H10I2O4/c15-11-6-10(7-12(16)14(11)19)20-9-3-1-8(2-4-9)5-13(17)18/h1-4,6-7,19H,5H2,(H,17,18)/p-1",[H]OC1=C(I)C([H])=C(OC2=C([H])C([H])=C(C([H])=C2[H])C([H])([H])C([O-])=O)C([H])=C1I
CE2885,"3,5,3,5-Tetraiodothyroacetate-Beta-D-Glucuronoside",C20H14I4O10,-2,0,0,,NaN,NaN,,"",,,,NaN,"",CE2885,"",,,MNXM166092,,NaN,,,GYORPZQLVMNOGY-MPSGWSHVSA-L,"InChI=1S/C20H16I4O10/c21-8-1-6(3-12(25)26)2-9(22)16(8)32-7-4-10(23)17(11(24)5-7)33-20-15(29)13(27)14(28)18(34-20)19(30)31/h1-2,4-5,13-15,18,20,27-29H,3H2,(H,25,26)(H,30,31)/p-2/t13-,14+,15-,18-,20?/m1/s1",[H]O[C@@]1([H])C([H])(OC2=C(I)C([H])=C(OC3=C(I)C([H])=C(C([H])=C3I)C([H])([H])C([O-])=O)C([H])=C2I)O[C@@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@@]1([H])O[H]
CE2886,"3,3,5-Triiodothyroacetate-Beta-D-Glucuronoside",C20H15I3O10,-2,0,0,,NaN,NaN,,"",,,,NaN,"",CE2886,"",,,MNXM166075,,NaN,,,QSWZGMIVPNEVJK-RHMUGHDZSA-L,"InChI=1S/C20H17I3O10/c21-9-3-7(4-13(24)25)1-2-12(9)31-8-5-10(22)17(11(23)6-8)32-20-16(28)14(26)15(27)18(33-20)19(29)30/h1-3,5-6,14-16,18,20,26-28H,4H2,(H,24,25)(H,29,30)/p-2/t14-,15+,16-,18-,20?/m1/s1",[H]O[C@@]1([H])C([H])(OC2=C(I)C([H])=C(OC3=C(I)C([H])=C(C([H])=C3[H])C([H])([H])C([O-])=O)C([H])=C2I)O[C@@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@@]1([H])O[H]
CE2887,"3,5,3-Triiodothyroacetate-Beta-D-Glucuronoside",C20H15I3O10,-2,0,0,,NaN,NaN,,"",,,,NaN,"",CE2887,"",,,MNXM166095,,NaN,,,VXVBZMWOWMHXTQ-RHMUGHDZSA-L,"InChI=1S/C20H17I3O10/c21-9-6-8(31-17-10(22)3-7(4-11(17)23)5-13(24)25)1-2-12(9)32-20-16(28)14(26)15(27)18(33-20)19(29)30/h1-4,6,14-16,18,20,26-28H,5H2,(H,24,25)(H,29,30)/p-2/t14-,15+,16-,18-,20?/m1/s1",[H]O[C@@]1([H])C([H])(OC2=C(I)C([H])=C(OC3=C(I)C([H])=C(C([H])=C3I)C([H])([H])C([O-])=O)C([H])=C2[H])O[C@@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@@]1([H])O[H]
CE2888,"3,5-Diiodothyroacetate-Beta-D-Glucuronoside",C20H16I2O10,-2,0,0,,NaN,NaN,,"",,,,NaN,"",CE2888,"",,,MNXM166037,,NaN,,,YOWDQHXNBULHCD-RHMUGHDZSA-L,"InChI=1S/C20H18I2O10/c21-11-6-10(30-9-3-1-8(2-4-9)5-13(23)24)7-12(22)17(11)31-20-16(27)14(25)15(26)18(32-20)19(28)29/h1-4,6-7,14-16,18,20,25-27H,5H2,(H,23,24)(H,28,29)/p-2/t14-,15+,16-,18-,20?/m1/s1",[H]O[C@@]1([H])C([H])(OC2=C(I)C([H])=C(OC3=C([H])C([H])=C(C([H])=C3[H])C([H])([H])C([O-])=O)C([H])=C2I)O[C@@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@@]1([H])O[H]
CE2890,"Dynorphin A (6-8)",C18H39N9O4,2,0,0,,53481551,NaN,,"",,,,NaN,"",CE2890,"",,,MNXM51735,,NaN,,,BHSYMWWMVRPCPA-FVCCEPFGSA-P,"InChI=1S/C18H37N9O4/c1-3-10(2)13(16(30)31)27-15(29)12(7-5-9-25-18(22)23)26-14(28)11(19)6-4-8-24-17(20)21/h10-13H,3-9,19H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)(H4,20,21,24)(H4,22,23,25)/p+2/t10-,11-,12+,13-/m1/s1",[H]N([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)[C@]([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C(=O)N([H])[C@@]([H])(C([O-])=O)[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])=[N+]([H])[H]
CE2891,"Dynorphin B",C74H118N21O17,3,0,0,,25075991,NaN,,"",,,,NaN,"",CE2891,"",,,MNXM51738,,NaN,,,AGTSSZRZBSNTGQ-QHDWWRMQSA-Q,"InChI=1S/C74H115N21O17/c1-40(2)34-53(91-68(107)54(36-44-18-10-8-11-19-44)86-58(100)39-84-57(99)38-85-62(101)48(76)35-46-25-27-47(97)28-26-46)67(106)89-51(24-17-33-83-74(80)81)63(102)87-50(23-16-32-82-73(78)79)64(103)90-52(29-30-56(77)98)65(104)92-55(37-45-20-12-9-13-21-45)69(108)88-49(22-14-15-31-75)66(105)93-59(41(3)4)70(109)94-60(42(5)6)71(110)95-61(43(7)96)72(111)112/h8-13,18-21,25-28,40-43,48-55,59-61,96-97H,14-17,22-24,29-39,75-76H2,1-7H3,(H2,77,98)(H,84,99)(H,85,101)(H,86,100)(H,87,102)(H,88,108)(H,89,106)(H,90,103)(H,91,107)(H,92,104)(H,93,105)(H,94,109)(H,95,110)(H,111,112)(H4,78,79,82)(H4,80,81,83)/p+3/t43-,48-,49+,50-,51?,52+,53-,54-,55?,59+,60+,61+/m1/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])C([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([O-])=O)[C@]([H])(O[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])=C(N([H])[H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])=C(N([H])[H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[N+]([H])([H])[H]
CE2915,"Beta-Casomorphin",C44H60N7O11,-1,0,0,,4424653,NaN,,"",,CE2915,,NaN,"",CE2915,"",,,MNXM163311,,NaN,,,ADBHAJDGVKLXHK-UHFFFAOYSA-M,"InChI=1S/C44H61N7O11/c1-5-26(4)37(44(61)62)49-40(57)34-14-10-22-51(34)43(60)31(19-20-35(53)54)46-41(58)36(25(2)3)48-38(55)32(24-27-11-7-6-8-12-27)47-39(56)33-13-9-21-50(33)42(59)30(45)23-28-15-17-29(52)18-16-28/h6-8,11-12,15-18,25-26,30-34,36-37,52H,5,9-10,13-14,19-24,45H2,1-4H3,(H,46,58)(H,47,56)(H,48,55)(H,49,57)(H,53,54)(H,61,62)/p-1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C1([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C1([H])C(=O)N([H])C([H])(C([O-])=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[N+]([H])([H])[H]
CE2916,"Neocasomorphin",C35H51N6O10,-1,0,0,,NaN,NaN,,"",,CE2916,,NaN,"",CE2916,"",,,MNXM158695,,NaN,,,OFSHRWCWYJBWJP-CMAHKSKVSA-M,"InChI=1S/C35H52N6O10/c1-5-20(4)29(35(50)51)39-31(46)26-9-7-17-41(26)34(49)24(14-15-27(43)44)37-32(47)28(19(2)3)38-30(45)25-8-6-16-40(25)33(48)23(36)18-21-10-12-22(42)13-11-21/h10-13,19-20,23-26,28-29,42H,5-9,14-18,36H2,1-4H3,(H,37,47)(H,38,45)(H,39,46)(H,43,44)(H,50,51)/p-1/t20-,23+,24+,25+,26+,28-,29-/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([O-])=[N+]([H])[C@]([H])(C([O-])=[N+]([H])[C@@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([O-])=[N+]([H])[C@]([H])(C([O-])=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])(C([H])([H])[H])C([H])([H])[H])[N+]([H])([H])[H]
CE2917,"Apelin-13",C69H114N23O16S,3,0,0,,53481538,NaN,,"",,CE2917,,NaN,"",CE2917,"",,,MNXM42305,,NaN,,,XXCCRHIAIBQDPX-YHQCEEEXSA-Q,"InChI=1S/C69H111N23O16S/c1-39(2)32-47(86-58(98)44(17-9-26-78-68(73)74)83-63(103)52-20-12-29-91(52)65(105)45(18-10-27-79-69(75)76)84-56(96)42(71)22-23-54(72)94)59(99)89-50(37-93)61(101)87-48(34-41-35-77-38-81-41)60(100)82-43(16-7-8-25-70)57(97)80-36-55(95)90-28-11-19-51(90)62(102)85-46(24-31-109-3)66(106)92-30-13-21-53(92)64(104)88-49(67(107)108)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,93H,7-13,16-34,36-37,70-71H2,1-3H3,(H2,72,94)(H,77,81)(H,80,97)(H,82,100)(H,83,103)(H,84,96)(H,85,102)(H,86,98)(H,87,101)(H,88,104)(H,89,99)(H,107,108)(H4,73,74,78)(H4,75,76,79)/p+3/t42-,43+,44-,45-,46+,47-,48-,49+,50-,51+,52+,53-/m0/s1",[H]OC([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])=C(N([H])[H])N([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])=C(N([H])[H])N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])C([H])([H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C(=O)N([H])[C@@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@@]([H])(C([O-])=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H]
CE2934,"2-Methylhippuric acid",C10H10NO3,0,193.1992,193.0738932,C01586,91637,613303,HMDB0011723,"",,CE2934,FDB028406,82742,"",CE2934,"",,,MNXM35291,,NaN,42013-20-7,DTXSID60194818,YOEBAVRJHRCKRE-UHFFFAOYSA-N,"InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)",[H]OC(=O)C([H])([H])N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])[H]
CE2947,"Xanthurenate-8-O-Beta-D-Glucoside",C16H16NO9,-1,0,0,,53481609,NaN,,"",,,,NaN,"",CE2947,"",,,MNXM89165,,NaN,,,MYFHOUJDPFBJLH-XGJKELJWSA-M,"InChI=1S/C16H17NO9/c18-5-10-12(20)13(21)14(22)16(26-10)25-9-3-1-2-6-8(19)4-7(15(23)24)17-11(6)9/h1-4,10,12-14,16,18,20-22H,5H2,(H,17,19)(H,23,24)/p-1/t10-,12+,13+,14+,16-/m1/s1",[H]OC1=C([H])C(=NC2=C(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])C([H])=C([H])C([H])=C12)C([O-])=O
CE2949,"Oxoxanthurenate",C10H5NO4,-2,205.1690063,205.0375077,,NaN,NaN,,"",,,,NaN,"",CE2949,"",,,MNXM168758,,NaN,59-00-7,DTXSID90207728,FBZONXHGGPHHIY-UHFFFAOYSA-L,"InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)/p-2",[H]OC1=C([H])C(=NC2=C([O-])C([H])=C([H])C([H])=C12)C([O-])=O
CE2953,"Rac-5,6-Epoxy-Retinoate",C20H27O3,-1,0,0,,536537,NaN,,"",,,,NaN,"",CE2953,"",,,MNXM10632,,NaN,,,KEEHJLBAOLGBJZ-UHFFFAOYSA-M,"InChI=1S/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22)/p-1",[H]C(=C([H])C(=C([H])C([O-])=O)C([H])([H])[H])C([H])=C(C([H])=C([H])C12OC1(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE2954,"4-oxo-Retinoic acid",C20H25O3,-1,314.4186,314.1881947,C16678,6437063,269971,HMDB0006285,"",,,FDB023877,4941652,"",,"",DBMET00455,,,,NaN,38030-57-8,,GGCUJPCCTQNTJF-FRCNGJHJSA-N,"InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+",[H]OC(=O)C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C1=C(C(=O)C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H]
CE2955,"All-Trans-3,4-Didehydroretinoate",C20H25O2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE2955,"",,,MNXM40794,,NaN,,,SYESMXTWOAQFET-YCNIQYBTSA-M,"InChI=1S/C20H26O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6-12,14H,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14+",[H]/C(=C(/[H])\C(=C(/[H])C([O-])=O)\C([H])([H])[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C([H])=C([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H]
CE2956,"4-Hydroxyretinoic acid",C20H27O3,-1,316.4345,316.2038448,C16677,6438629,63795,HMDB0006254,"",,,FDB023862,4943093,"",,"",DBMET00298,,,,NaN,66592-72-1,,KGUMXGDKXYTTEY-FRCNGJHJSA-N,"",
CE2957,"all-trans-18-Hydroxyretinoic acid",C20H27O3,-1,316.4345,316.2038448,C16679,6506224,NaN,HMDB0012452,"",CE2957,,FDB029068,5005673,"",CE2957,"",,,MNXM164069,,NaN,,,XSJOIRFEYHJNAW-FCKHSPHMSA-M,"InChI=1S/C20H28O3/c1-15(7-5-8-16(2)13-19(22)23)10-11-18-17(14-21)9-6-12-20(18,3)4/h5,7-8,10-11,13,21H,6,9,12,14H2,1-4H3,(H,22,23)/p-1/b8-5+,11-10+,15-7+,16-13+",[H]OC([H])([H])C1=C(\C([H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])C([O-])=O)\C([H])([H])[H])\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]
CE2958,"Rac-5,6-Epoxy-Retinoyl-Beta-D-Glucuronide",C26H35O9,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE2958,"",,,MNXM160766,,NaN,,,BZPOQLONXBJGAZ-XTPLATEVSA-M,"InChI=1S/C26H36O9/c1-15(10-13-26-24(3,4)11-7-12-25(26,5)35-26)8-6-9-16(2)14-17(27)33-23-20(30)18(28)19(29)21(34-23)22(31)32/h6,8-10,13-14,18-21,23,28-30H,7,11-12H2,1-5H3,(H,31,32)/p-1/b9-6+,13-10+,15-8+,16-14+/t18-,19+,20-,21-,23-,25-,26-/m0/s1",[H]O[C@@]1([H])[C@]([H])(OC(=O)C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])[C@]23O[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C3(C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H])O[C@@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@@]1([H])O[H]
CE2960,"Rac-4-Hydroxy-4-O-(Beta-D-Glucuronide)-All-Trans-Retinoate",C26H34O9,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
CE2961,"4-Hydroxy-All-Trans-Retinyl Acetate",C22H32O3,0,0,0,,54359871,NaN,,"",,,,NaN,"",CE2961,"",,,MNXM151179,,NaN,,,ULTPFVHSYYJYAE-UHFFFAOYSA-N,"InChI=1S/C22H32O3/c1-16(8-7-9-17(2)13-15-25-19(4)23)10-11-20-18(3)21(24)12-14-22(20,5)6/h7-11,13,21,24H,12,14-15H2,1-6H3",[H]OC1([H])C(=C(C([H])=C([H])C(=C([H])C([H])=C([H])C(=C([H])C([H])([H])OC(=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]
CE2962,"Rac-4-Hydroxy-4-O-(Beta-D-Glucuronide)-All-Trans-Retinyl Acetate",C28H39O9,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE2962,"",,,MNXM160765,,NaN,,,LFXATGINAILLFU-JTXDOXPPSA-M,"InChI=1S/C28H40O9/c1-16(8-7-9-17(2)13-15-35-19(4)29)10-11-20-18(3)21(12-14-28(20,5)6)36-27-24(32)22(30)23(31)25(37-27)26(33)34/h7-11,13,21-25,27,30-32H,12,14-15H2,1-6H3,(H,33,34)/p-1/b9-7+,11-10+,16-8+,17-13+/t21-,22-,23+,24-,25-,27-/m0/s1",[H]O[C@@]1([H])[C@]([H])(O[C@@]2([H])C(=C(\C([H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])C([H])([H])OC(=O)C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])[H])O[C@@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@@]1([H])O[H]
CE2963,"5,6-Epoxy-13-Cis-Retinoate",C20H27O3,-1,0,0,,536537,NaN,,"",CE2963,,,NaN,"",CE2963,"",,,MNXM164331,,NaN,,,KEEHJLBAOLGBJZ-UHFFFAOYSA-M,"InChI=1S/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22)/p-1",[H]C(=C([H])C(=C([H])C([O-])=O)C([H])([H])[H])C([H])=C(C([H])=C([H])C12OC1(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE2964,"5,8-Epoxy-13-Cis-Retinoate",C20H27O3,-1,0,0,,92945,NaN,,"",CE2964,,,NaN,"",CE2964,"",,,MNXM164331,,NaN,,,QDOSIDVGVRAXSE-UHFFFAOYSA-M,"InChI=1S/C20H28O3/c1-14(12-18(21)22)8-6-9-15(2)16-13-17-19(3,4)10-7-11-20(17,5)23-16/h6,8-9,12-13,16H,7,10-11H2,1-5H3,(H,21,22)/p-1",[H]C(=C([H])C(=C([H])C([O-])=O)C([H])([H])[H])C([H])=C(C([H])([H])[H])C1([H])OC2(C(=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H]
CE3038,"3Beta,7Alpha-Dihydroxy-5-Cholestenoate",C27H43O4,-1,0,0,,3081084,NaN,,"",CE3038,,,NaN,"",CE3038,"",,,MNXM6853,,NaN,,,GYJSAWZGYQXRBS-GRJZKGIBSA-M,"InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/p-1/t16-,17?,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])=C2C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]12[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([O-])=O)C([H])([H])[H]
CE3074,"Fructose-3-Phosphate",C6H11O9P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
CE3075,"Sorbitol 3-Phosphate",C6H13O9P,-2,262.151001,262.0453691,,129544,NaN,,"",CE3075,,,NaN,"",CE3075,"",,,MNXM48480,,NaN,121955-14-4,DTXSID00153449,RSCVCIHYYQHRMQ-FSIIMWSLSA-L,"InChI=1S/C6H15O9P/c7-1-3(9)5(11)6(4(10)2-8)15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/p-2/t3-,4+,5-,6-/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(O[H])C([H])([H])O[H]
CE3086,"4-(2-Amino-3-Hydroxyphenyl)-4-Oxobutanoic Acid O-Glucoside",C16H20NO9,-1,0,0,,10948689,NaN,,"",,,,NaN,"",CE3086,"",,,MNXM166294,,NaN,,,XEXCWFKGYJFAQK-LMXXTMHSSA-M,"InChI=1S/C16H21NO9/c17-12-7(8(19)4-5-11(20)21)2-1-3-9(12)25-16-15(24)14(23)13(22)10(6-18)26-16/h1-3,10,13-16,18,22-24H,4-6,17H2,(H,20,21)/p-1/t10-,13-,14+,15-,16-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C(N([H])[H])C(=C([H])C([H])=C2[H])C(=O)C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CE3087,"Beta-Carboline",C11H8N2,0,168.1946,168.0687483,C20157,64961,109895,HMDB0012897,"",,,FDB007945,58486,"CPD-15304",CE3087,"beta-carboline",,,MNXM43781,C00026537,NaN,244-63-3,DTXSID2021070,AIFRHYZBTHREPW-UHFFFAOYSA-N,"InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H",[H]N1C2=C(C([H])=C([H])N=C2[H])C2=C1C([H])=C([H])C([H])=C2[H]
CE3092,"Glutathionyl-3-Hydroxykynurenine Glucoside",C26H36N5O14S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE3092,"",,,MNXM165154,,NaN,,,NAUBCUCILMZALD-AAICTPQNSA-M,"InChI=1S/C26H37N5O14S/c27-11(24(40)41)4-5-17(34)31-13(9-46)23(39)29-7-18(35)30-12(25(42)43)6-14(33)10-2-1-3-15(19(10)28)44-26-22(38)21(37)20(36)16(8-32)45-26/h1-3,11-13,16,20-22,26,32,36-38,46H,4-9,27-28H2,(H,29,39)(H,30,35)(H,31,34)(H,40,41)(H,42,43)/p-1/t11-,12-,13+,16-,20+,21+,22+,26-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C([H])C(C(=O)C([H])([H])[C@@]([H])([N+]([H])=C([O-])C([H])([H])[N+]([H])=C([O-])[C@@]([H])([N+]([H])=C([O-])C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C([H])([H])S[H])C([O-])=O)=C2N([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
CE3136,"9-Cis-4-Oxo-13,14-Dihydro-Retinoate",C20H27O3,-1,0,0,,NaN,NaN,,"",CE3136,,,NaN,"",CE3136,"",,,MNXM166718,,NaN,,,XMIWQNUYRMSNDU-ZACADFMYSA-M,"InChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,15H,11-13H2,1-5H3,(H,22,23)/p-1/b8-6+,10-9?,14-7-",[H]/C(/C(/[H])=C(\C(\[H])=C(/[H])C1=C(C(=O)C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])=C(/[H])C([H])(C([H])([H])[H])C([H])([H])C([O-])=O
CE3140,"1-(1,2,3,4,5-Pentahydroxypent-1-Yl)-1,2,3,4-Tetrahydro-Beta-Carboline-3-Carboxylate",C17H22N2O7,0,0,0,,21125948,NaN,,"",CE3140,,,NaN,"",CE3140,"",,,MNXM32416,,NaN,,,LCHFAYIGHOVWSA-UHFFFAOYSA-N,"InChI=1S/C17H22N2O7/c20-6-11(21)14(22)16(24)15(23)13-12-8(5-10(19-13)17(25)26)7-3-1-2-4-9(7)18-12/h1-4,10-11,13-16,18-24H,5-6H2,(H,25,26)",[H]OC([H])([H])C([H])(O[H])C([H])(O[H])C([H])(O[H])C([H])(O[H])C1([H])C2=C(C3=C([H])C([H])=C([H])C([H])=C3N2[H])C([H])([H])C([H])(C([O-])=O)[N+]1([H])[H]
CE3481,"1-Lyso-2-arachidonoyl-phosphatidate",C23H37O7P,-2,456.5094,456.2276901,,53481443,78209,HMDB0012496,"",CE3481,,FDB029101,NaN,"",CE3481,"",,,MNXM32836,,NaN,,,BDCFJMBXZCIVRH-OIGDJMNCSA-L,"InChI=1S/C23H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)30-22(20-24)21-29-31(26,27)28/h6-7,9-10,12-13,15-16,22,24H,2-5,8,11,14,17-21H2,1H3,(H2,26,27,28)/p-2/b7-6-,10-9-,13-12-,16-15?/t22-/m1/s1",[H]OC([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP([O-])([O-])=O
CE3554,"20-Trihydroxy-Leukotriene-B4",C20H31O7,-1,0,0,,53481513,NaN,,"",,CE3554,,NaN,"",CE3554,"",,,MNXM35505,,NaN,,,UZWWTCBNUQJEPB-SKCJTVHHSA-M,"InChI=1S/C20H32O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6-8,12-13,17-18,21-22,25-27H,1,5,9-11,14-16H2,(H,23,24)/p-1/b4-3+,6-2-,12-7?,13-8-/t17-,18-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])(O[H])O[H]
CE4633,"HClO",ClHO,0,52.46,51.97159236,C19697,24341,24757,HMDB0059650,"",,CE4633,,22757,"CPD-12799",CE4633,"Hypochlorous acid",,,MNXM3035,,NaN,7790-92-3,DTXSID3036737,QWPPOHNGKGFGJK-UHFFFAOYSA-N,"InChI=1S/ClHO/c1-2/h2H",[H]OCl
CE4722,"Beta-Casomorphin (1-6)",C38H49N6O10,-1,0,0,,NaN,NaN,,"",,CE4722,,NaN,"",CE4722,"",,,MNXM152651,,NaN,,,WUHXJZCLFYNVBB-VKLFMPCTSA-M,"InChI=1S/C38H50N6O10/c1-22(2)32(35(50)40-27(16-17-31(46)47)37(52)44-19-7-11-30(44)38(53)54)42-33(48)28(21-23-8-4-3-5-9-23)41-34(49)29-10-6-18-43(29)36(51)26(39)20-24-12-14-25(45)15-13-24/h3-5,8-9,12-15,22,26-30,32,45H,6-7,10-11,16-21,39H2,1-2H3,(H,40,50)(H,41,49)(H,42,48)(H,46,47)(H,53,54)/p-1/t26-,27+,28+,29-,30+,32-/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([O-])=[N+]([H])[C@]([H])(C([O-])=[N+]([H])[C@@]([H])(C([O-])=[N+]([H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[N+]([H])([H])[H]
CE4723,"Neocasomorphin (1-5)",C29H40N5O9,-1,0,0,,NaN,NaN,,"",,CE4723,,NaN,"",CE4723,"",,,MNXM158696,,NaN,,,WRNQQFNBEUKAAX-JQCUPSQQSA-M,"InChI=1S/C29H41N5O9/c1-16(2)24(26(39)31-20(11-12-23(36)37)28(41)34-14-4-6-22(34)29(42)43)32-25(38)21-5-3-13-33(21)27(40)19(30)15-17-7-9-18(35)10-8-17/h7-10,16,19-22,24,35H,3-6,11-15,30H2,1-2H3,(H,31,39)(H,32,38)(H,36,37)(H,42,43)/p-1/t19-,20-,21-,22-,24+/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([O-])=[N+]([H])[C@]([H])(C([O-])=[N+]([H])[C@@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])(C([H])([H])[H])C([H])([H])[H])[N+]([H])([H])[H]
CE4724,"Apelin (1-12)",C60H105N22O15S,3,0,0,,NaN,NaN,,"",,CE4724,,NaN,"",CE4724,"",,,MNXM152293,,NaN,,,ZBIHGPXAEDFPEJ-YTUSPVEZSA-R,"InChI=1S/C60H101N22O15S/c1-33(2)27-40(77-50(88)37(12-6-21-69-59(64)65)74-55(93)44-15-9-24-81(44)56(94)38(13-7-22-70-60(66)67)75-48(86)35(62)17-18-46(63)84)51(89)79-42(31-83)53(91)78-41(28-34-29-68-32-72-34)52(90)73-36(11-4-5-20-61)49(87)71-30-47(85)80-23-8-14-43(80)54(92)76-39(19-26-98-3)57(95)82-25-10-16-45(82)58(96)97/h29,32-33,35-45H,4-28,30-31,61-62H2,1-3H3,(H2,63,84)(H,68,72)(H,71,87)(H,73,90)(H,74,93)(H,75,86)(H,76,92)(H,77,88)(H,78,91)(H,79,89)(H,96,97)(H4,64,65,69)(H4,66,67,70)/q-1/p+4/t35-,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m0/s1",[H]N([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])([N+]([H])=C([O-])[C@]([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])C([O-])=[N+]([H])[H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([O-])=[N+]([H])[C@@]([H])(C([O-])=[N+]([H])[C@]([H])(C([O-])=[N+]([H])[C@@]([H])(C([O-])=[N+]([H])[C@]([H])(C([O-])=[N+]([H])[C@@]([H])(C([O-])=[N+]([H])C([H])([H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([O-])=[N+]([H])[C@@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([O-])=O)C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C1=C([H])[N+]([H])=C([H])N1[H])C([H])([H])[O-])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])=[N+]([H])[H]
CE4753,"Dynorphin B (10-13)",C20H40N5O6,1,0,0,,53481556,NaN,,"",,,,NaN,"",CE4753,"",,,MNXM51740,,NaN,,,VSLCIGXQLCYQTD-NPJQDHAYSA-O,"InChI=1S/C20H39N5O6/c1-10(2)14(23-17(27)13(22)8-6-7-9-21)18(28)24-15(11(3)4)19(29)25-16(12(5)26)20(30)31/h10-16,26H,6-9,21-22H2,1-5H3,(H,23,27)(H,24,28)(H,25,29)(H,30,31)/p+1/t12-,13+,14-,15+,16-/m0/s1",[H]O[C@@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([O-])=O
CE4754,"Dynorphin B (6-9)",C26H45N11O6,2,0,0,,53481557,NaN,,"",,,,NaN,"",CE4754,"",,,MNXM51741,,NaN,,,YTMBNLHIDIKJIU-HCXYKTFWSA-P,"InChI=1S/C26H43N11O6/c27-16(8-4-12-33-25(29)30)21(39)35-17(9-5-13-34-26(31)32)22(40)36-18(10-11-20(28)38)23(41)37-19(24(42)43)14-15-6-2-1-3-7-15/h1-3,6-7,16-19H,4-5,8-14,27H2,(H2,28,38)(H,35,39)(H,36,40)(H,37,41)(H,42,43)(H4,29,30,33)(H4,31,32,34)/p+2/t16-,17+,18-,19+/m1/s1",[H]N([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)[C@]([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([O-])=[N+]([H])[H])=[N+]([H])[H]
CE4788,"Acetamidopropanal",C5H9NO2,0,115.1305,115.0633285,C18170,5460495,30322,HMDB0012880,"",CE4788,,FDB029195,4574010,"CPD-10687",,"",,,,,NaN,,,ARJPPNFIEQKVBB-UHFFFAOYSA-N,"InChI=1S/C5H9NO2/c1-5(8)6-3-2-4-7/h4H,2-3H2,1H3,(H,6,8)",[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])=O
CE4790,"(3S)-3-Hydroxy-cis-8-tetradecenoyl-CoA",C35H56N7O18P3S,-4,987.842,987.2615382,,53481425,NaN,HMDB0012474,"",CE4790,CE4790,FDB029084,NaN,"",,"",,,,,NaN,,,ZQDIAQJHDIPXDI-WCLGBGKHSA-J,"InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h8-9,21-24,28-30,34,43,46-47H,4-7,10-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b9-8+/t23-,24+,28-,29-,30?,34+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE4791,"3(S)-Hydroxy-Dihomo-Gama-Linolenoyl Coenzyme A",C41H64N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4791,CE4791,,NaN,"",,"",,,,,NaN,,,GFVFSXUAKLZOGC-QCOJVYSLSA-J,"InChI=1S/C41H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h8-9,11-12,14-15,27-30,34-36,40,49,52-53H,4-7,10,13,16-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b9-8-,12-11+,15-14-/t29?,30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4792,"3-Oxo-Cis-8-Tetradecenoyl Coenzyme A",C35H54N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4792,CE4792,,NaN,"",,"",,,,,NaN,,,DMKQQTVHIVHGIT-WZBZSTFDSA-J,"InChI=1S/C35H58N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h8-9,21-22,24,28-30,34,46-47H,4-7,10-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/b9-8-/t24?,28?,29?,30?,34-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4793,"3-Oxo-Dihomo-Gama-Linolenoyl Coenzyme A",C41H62N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4793,CE4793,,NaN,"",CE4793,"",,,MNXM166236,,NaN,,,DJFXNRBQUUFIOS-RLYWCTMOSA-J,"InChI=1S/C41H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h8-9,11-12,14-15,27-28,30,34-36,40,52-53H,4-7,10,13,16-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b9-8-,12-11-,15-14+/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4794,"Cis-6-Dodecenoyl Coenzyme A",C33H52N7O17P3S,-4,0,0,,NaN,NaN,,"",CE4794,CE4794,,NaN,"",,"",,,,,NaN,,,ZVMJJHXBJQTLEB-FFVFMXDZSA-J,"InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,20-22,26-28,32,43-44H,4-7,10-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/t22-,26+,27+,28?,32-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4795,"2-Trans-Cis,Cis,Cis,Cis-4,8,11,14-Eicosapentaenoyl Coenzyme A",C41H60N7O17P3S,-4,0,0,,NaN,NaN,,"",CE4795,CE4795,,NaN,"",,"",,,,,NaN,,,VEOYVBZJFWTPAJ-QNJOVTTHSA-J,"InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,18-21,28-30,34-36,40,51-52H,4-7,10,13,16-17,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8?,12-11-,15-14?,19-18-,21-20+/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4796,"3-Oxo-(2S)-Methylisocapryloyl Coenzyme A",C30H46N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4796,CE4796,,NaN,"",,"",,,,,NaN,,,RVEAGMLBRLLBNX-FHYDGDFJSA-J,"InChI=1S/C30H50N7O18P3S/c1-16(2)6-7-18(38)17(3)29(43)59-11-10-32-20(39)8-9-33-27(42)24(41)30(4,5)13-52-58(49,50)55-57(47,48)51-12-19-23(54-56(44,45)46)22(40)28(53-19)37-15-36-21-25(31)34-14-35-26(21)37/h14-17,19,22-24,28,40-41H,6-13H2,1-5H3,(H,32,39)(H,33,42)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/t17-,19+,22-,23-,24-,28+/m0/s1",[H]O[C@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@@]([H])(C(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4797,"2(R),6-Dimethyl-Heptanoyl Coenzyme A",C30H48N7O17P3S,-4,0,0,,NaN,NaN,,"",CE4797,CE4797,,NaN,"",,"",,,,,NaN,,,GPXWBKWDXPBLKS-WCMGQQEJSA-J,"InChI=1S/C30H52N7O17P3S/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37/h15-19,22-24,28,39-40H,6-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t18?,19?,22?,23?,24?,28-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4798,"2(S),6-Dimethyl-Heptanoyl Coenzyme A",C30H48N7O17P3S,-4,0,0,,NaN,NaN,,"",CE4798,CE4798,,NaN,"",,"",,,,,NaN,,,GPXWBKWDXPBLKS-MSMXUDHXSA-J,"InChI=1S/C30H52N7O17P3S/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37/h15-19,22-24,28,39-40H,6-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t18-,19?,22?,23?,24?,28-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4799,"2,6-Dimethyl-Trans-2-Heptenoyl Coenzyme A",C30H46N7O17P3S,-4,0,0,,NaN,NaN,,"",CE4799,CE4799,,NaN,"",,"",,,,,NaN,,,BQVMKMLUXZLYFD-DNAJKEFOSA-J,"InChI=1S/C30H50N7O17P3S/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37/h8,15-17,19,22-24,28,39-40H,6-7,9-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/b18-8+/t19?,22?,23?,24?,28-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(=C(/[H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4800,"3(S)-Hydroxy-2(S),6-Dimethyl-Heptanoyl Coenzyme A",C30H48N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4800,CE4800,,NaN,"",,"",,,,,NaN,,,YAVFKXHHHJEEQF-NOXPAPSPSA-J,"InChI=1S/C30H52N7O18P3S/c1-16(2)6-7-18(38)17(3)29(43)59-11-10-32-20(39)8-9-33-27(42)24(41)30(4,5)13-52-58(49,50)55-57(47,48)51-12-19-23(54-56(44,45)46)22(40)28(53-19)37-15-36-21-25(31)34-14-35-26(21)37/h14-19,22-24,28,38,40-41H,6-13H2,1-5H3,(H,32,39)(H,33,42)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/t17-,18?,19?,22?,23?,24?,28-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@@]([H])(C([H])([H])[H])C([H])(O[H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4801,"3(S)-Hydroxy-4(R),8-Dimethyl-Nonanoyl Coenzyme A",C32H52N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4801,CE4801,,NaN,"",,"",,,,,NaN,,,AGRBRZWAKOHMRQ-PKJWWYGUSA-J,"InChI=1S/C32H56N7O18P3S/c1-18(2)7-6-8-19(3)20(40)13-23(42)61-12-11-34-22(41)9-10-35-30(45)27(44)32(4,5)15-54-60(51,52)57-59(49,50)53-14-21-26(56-58(46,47)48)25(43)31(55-21)39-17-38-24-28(33)36-16-37-29(24)39/h16-21,25-27,31,40,43-44H,6-15H2,1-5H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/p-4/t19-,20-,21+,25-,26-,27?,31+/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4802,"3(S)-Hydroxy-4-Methyl-Pentanoyl Coenzyme A",C27H42N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4802,CE4802,,NaN,"",,"",,,,,NaN,,,FVDISPKCRAHPBJ-JBZCYSOESA-J,"InChI=1S/C27H46N7O18P3S/c1-14(2)15(35)9-18(37)56-8-7-29-17(36)5-6-30-25(40)22(39)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-21(51-53(41,42)43)20(38)26(50-16)34-13-33-19-23(28)31-12-32-24(19)34/h12-16,20-22,26,35,38-39H,5-11H2,1-4H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t15-,16?,20?,21?,22?,26-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@]([H])(O[H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4803,"3-Oxo-4(R),8-Dimethyl-Nonanoyl Coenzyme A",C32H50N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4803,CE4803,,NaN,"",,"",,,,,NaN,,,YMYLLQAUKBJHAS-TVQARJJQSA-J,"InChI=1S/C32H54N7O18P3S/c1-18(2)7-6-8-19(3)20(40)13-23(42)61-12-11-34-22(41)9-10-35-30(45)27(44)32(4,5)15-54-60(51,52)57-59(49,50)53-14-21-26(56-58(46,47)48)25(43)31(55-21)39-17-38-24-28(33)36-16-37-29(24)39/h16-19,21,25-27,31,43-44H,6-15H2,1-5H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/p-4/t19-,21+,25-,26-,27-,31+/m0/s1",[H]O[C@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4804,"3-Oxo-4-Methyl-Pentanoyl Coenzyme A",C27H40N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4804,CE4804,,NaN,"",,"",,,,,NaN,,,NVBSRDSMDMDKDD-UNJBKMQWSA-J,"InChI=1S/C27H44N7O18P3S/c1-14(2)15(35)9-18(37)56-8-7-29-17(36)5-6-30-25(40)22(39)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-21(51-53(41,42)43)20(38)26(50-16)34-13-33-19-23(28)31-12-32-24(19)34/h12-14,16,20-22,26,38-39H,5-11H2,1-4H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t16-,20+,21+,22-,26-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4805,"4(R),8-Dimethyl-Nonanoyl Coenzyme A",C32H52N7O17P3S,-4,0,0,,NaN,NaN,,"",CE4805,,,NaN,"",,"",,,,,NaN,,,YGNKJFPEXQCWDB-DPSOZLMZSA-J,"InChI=1S/C32H56N7O17P3S/c1-19(2)7-6-8-20(3)9-10-23(41)60-14-13-34-22(40)11-12-35-30(44)27(43)32(4,5)16-53-59(50,51)56-58(48,49)52-15-21-26(55-57(45,46)47)25(42)31(54-21)39-18-38-24-28(33)36-17-37-29(24)39/h17-21,25-27,31,42-43H,6-16H2,1-5H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/t20?,21-,25-,26-,27?,31-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4806,"4(R),8-Dimethyl-Trans-2-Nonenoyl Coenzyme A",C32H50N7O17P3S,-4,0,0,,NaN,NaN,,"",CE4806,CE4806,,NaN,"",,"",,,,,NaN,,,ZVFQTLFMFGJTNP-MDFLYJSKSA-J,"InChI=1S/C32H54N7O17P3S/c1-19(2)7-6-8-20(3)9-10-23(41)60-14-13-34-22(40)11-12-35-30(44)27(43)32(4,5)16-53-59(50,51)56-58(48,49)52-15-21-26(55-57(45,46)47)25(42)31(54-21)39-18-38-24-28(33)36-17-37-29(24)39/h9-10,17-21,25-27,31,42-43H,6-8,11-16H2,1-5H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/b10-9+/t20?,21?,25?,26?,27?,31-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4807,"4-Methyl-Trans-2-Pentenoyl Coenzyme A",C27H40N7O17P3S,-4,0,0,,NaN,NaN,,"",CE4807,CE4807,,NaN,"",,"",,,,,NaN,,,GJLUGLKKLPHWPU-IXQQCUIMSA-J,"InChI=1S/C27H44N7O17P3S/c1-15(2)5-6-18(36)55-10-9-29-17(35)7-8-30-25(39)22(38)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-21(50-52(40,41)42)20(37)26(49-16)34-14-33-19-23(28)31-13-32-24(19)34/h5-6,13-16,20-22,26,37-38H,7-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b6-5+/t16?,20?,21?,22?,26-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4808,"4-Methyl-Pentanoyl Coenzyme A",C27H42N7O17P3S,-4,0,0,,NaN,NaN,,"",CE4808,CE4808,,NaN,"",,"",,,,,NaN,,,GESPQCUXDWNNGU-ZUTYNGFBSA-J,"InChI=1S/C27H46N7O17P3S/c1-15(2)5-6-18(36)55-10-9-29-17(35)7-8-30-25(39)22(38)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-21(50-52(40,41)42)20(37)26(49-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,37-38H,5-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/t16?,20?,21?,22?,26-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4810,"3(S)-Hydroxy-All-Cis-8,11,14,17-Eicosatetraenoyl Coenzyme A",C41H62N7O18P3S,-4,0,0,,NaN,NaN,,"",,CE4810,,NaN,"",CE4810,"",,,MNXM7114,,NaN,,,PCGPHLMAAZKQFQ-ARVIECMMSA-J,"InChI=1S/C41H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h5-6,8-9,11-12,14-15,27-30,34-36,40,49,52-53H,4,7,10,13,16-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b6-5-,9-8-,12-11-,15-14-/t29?,30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4811,"3-Keto-Eicosa-8,11,14,17-All-Cis-Tetraenoyl Coenzyme A",C41H60N7O18P3S,-4,0,0,,NaN,NaN,,"",,CE4811,,NaN,"",CE4811,"",,,MNXM164249,,NaN,,,VVLBCJHQULSXJN-QWRJARGZSA-J,"InChI=1S/C41H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h5-6,8-9,11-12,14-15,27-28,30,34-36,40,52-53H,4,7,10,13,16-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b6-5-,9-8-,12-11-,15-14-/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4812,"Eicosa-2E,8Z,11Z,14Z,17Z-Pentaenoyl Coenzyme A",C41H60N7O17P3S,-4,0,0,,NaN,NaN,,"",,CE4812,,NaN,"",CE4812,"",,,MNXM164756,,NaN,,,PTROMSLVPFEIQJ-HHNWVCTFSA-J,"InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,20-21,28-30,34-36,40,51-52H,4,7,10,13,16-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b6-5-,9-8-,12-11-,15-14-,21-20+/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4816,"2-Trans-9,12,15,18,21-All-Cis-Tetracosahexaenoyl Coenzyme A",C45H66N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE4816,"",,,MNXM164161,,NaN,,,MMZJVINJFSRJOK-PPMNHUTISA-J,"InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,24-25,32-34,38-40,44,55-56H,4,7,10,13,16,19-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17?,25-24?/t34-,38+,39+,40-,44-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4817,"3(S)-Hydroxy-Docosa-7,10,13,16,19-All-Cis-Pentaenoyl Coenzyme A",C43H64N7O18P3S,-4,0,0,,NaN,NaN,,"",,CE4817,,NaN,"",CE4817,"",,,MNXM164187,,NaN,,,KIDYDCLNVXONEF-KVPQSVNFSA-J,"InChI=1S/C43H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,29-32,36-38,42,51,54-55H,4,7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17?/t31?,32?,36?,37?,38?,42-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4818,"3(S)-Hydroxy-Tetracosa-9,12,15,18,21-All-Cis-Pentaenoyl Coenzyme A",C45H68N7O18P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE4818,"",,,MNXM164189,,NaN,,,DRQAURCKCKDINZ-MCCIAGEQSA-J,"InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,31-34,38-40,44,53,56-57H,4,7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b6-5?,9-8-,12-11-,15-14-,18-17-/t33-,34-,38+,39+,40-,44-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4819,"3-Oxo-Docosa-7,10,13,16,19-All-Cis-Pentaenoyl Coenzyme A",C43H62N7O18P3S,-4,0,0,,NaN,NaN,,"",,CE4819,,NaN,"",CE4819,"",,,MNXM164262,,NaN,,,SLYKKQSPRFJDAF-GTFOGWGYSA-J,"InChI=1S/C43H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4,7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17?/t32?,36?,37?,38?,42-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4820,"3-Oxo-All-Cis-6,9,12,15,18-Tetracosapentaenoyl Coenzyme A",C45H66N7O18P3S,-4,0,0,,NaN,NaN,,"",,CE4820,,NaN,"",CE4820,"",,,MNXM164259,,NaN,,,UQPANOGFYCZRAV-IKQFDBQFSA-J,"InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,31-32,34,38-40,44,56-57H,4,7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b6-5?,9-8-,12-11-,15-14-,18-17-/t34-,38+,39+,40-,44-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4821,"2-Trans-7,10,13,16,19-All-Cis-Docosahexaenoyl Coenzyme A",C43H62N7O17P3S,-4,0,0,,NaN,NaN,,"",,CE4821,,NaN,"",CE4821,"",,,MNXM164160,,NaN,,,HGVXUTAEZALTIG-MNISZZRLSA-J,"InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,22-23,30-32,36-38,42,53-54H,4,7,10,13,16,19-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,23-22+/t32?,36?,37?,38?,42-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4824,"Tetracosapentaenoyl coenzyme A, n-3",C45H68N7O17P3S,-4,1108.076,1107.391824,C16167,23724644,NaN,HMDB0060222,"",,,,NaN,"",CE4824,"",,,MNXM169215,,NaN,,,BNAMTMVBOVNNSH-XMLSFASZSA-J,"InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4,7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/t34-,38+,39+,40?,44-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4825,"(3S)-Hydroxy-tetracosa-6,9,12,15,18,21-all-cis-hexaenoyl-CoA",C45H66N7O18P3S,-4,1118.028,1117.339789,,53481432,NaN,HMDB0012479,"",,,FDB029088,NaN,"1235-TETRAHYDROXYBENZENE",,"",,,,,NaN,,,JJCGUWRDULVWQG-VXLHGKKBSA-J,"InChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t33-,34-,38+,39+,40?,44-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4826,"3-Oxo-All-Cis-6,9,12,15,18,21-Tetracosahexaenoyl Coenzyme A",C45H64N7O18P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DNHDPAXPQGYGIJ-JSNKACPDSA-J,"InChI=1S/C45H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,31-32,34,38-40,44,56-57H,4,7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34?,38?,39?,40?,44-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4827,"Cervonyl coenzyme A",C43H62N7O17P3S,-4,1078.007,1077.344874,C16169,23724646,NaN,HMDB0060198,"",,,,NaN,"",,"",,,,,NaN,,,MENFZXMQSYYVRK-ZNLHIGMYSA-J,"InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t32?,36?,37?,38?,42-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4828,"Trans-2-all-cis-6,9,12,15,18,21-tetracosaheptaenoyl-CoA",C45H64N7O17P3S,-4,1100.013,1099.329224,C16374,53477810,NaN,HMDB0006260,"",,,FDB023865,NaN,"CPD-4223",,"",,cpd15090,,,NaN,,,NVOWZIBKQIWTDG-JMQODKLKSA-J,"InChI=1S/C45H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20?,25-24+/t34-,38-,39-,40+,44-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4830,"2-Trans-9,12,15,18-All-Cis-Tetracosapentaenoyl Coenzyme A",C45H68N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE4830,"",,,MNXM163157,,NaN,,,AVRCOFDAWHWKMB-IDQWWGNISA-J,"InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,24-25,32-34,38-40,44,55-56H,4-7,10,13,16,19-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b9-8+,12-11-,15-14-,18-17?,25-24?/t34-,38+,39+,40-,44-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4831,"3(S)-Hydroxy-Docosa-7,10,13,16-All-Cis-Tetraenoyl Coenzyme A",C43H66N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4831,CE4831,,NaN,"",CE4831,"",,,MNXM164188,,NaN,,,JHXLRLHTJYMVBK-PVOVNOSPSA-J,"InChI=1S/C43H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,17-18,29-32,36-38,42,51,54-55H,4-7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b9-8-,12-11-,15-14-,18-17?/t31-,32-,36+,37+,38-,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4832,"3(S)-Hydroxy-Tetracosa-6,9,12,15,18-All-Cis-Pentaenoyl Coenzyme A",C45H68N7O18P3S,-4,0,0,,NaN,NaN,,"",,CE4832,,NaN,"",,"",,,,,NaN,,,NNEPPYNERZEJEE-UPRGOYRGSA-J,"InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,31-34,38-40,44,53,56-57H,4-7,10,13,16,19,22-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/t33-,34-,38+,39+,40?,44-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4833,"3-Oxo-Docosa-7,10,13,16-All-Cis-Tetraenoyl Coenzyme A",C43H64N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4833,CE4833,,NaN,"",CE4833,"",,,MNXM164263,,NaN,,,VMAJWSSWCPBIJY-AGJDHKCOSA-J,"InChI=1S/C43H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,17-18,29-30,32,36-38,42,54-55H,4-7,10,13,16,19-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b9-8-,12-11-,15-14-,18-17?/t32-,36+,37+,38-,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4834,"3-Oxo-Tetracosa-9,12,15,18-All-Cis-Tetraenoyl Coenzyme A",C45H68N7O18P3S,-4,0,0,,NaN,NaN,,"",,CE4834,,NaN,"",CE4834,"",,,MNXM164266,,NaN,,,WSALICWLARPULC-OSVLOGCNSA-J,"InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h8-9,11-12,14-15,17-18,31-32,34,38-40,44,56-57H,4-7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b9-8-,12-11?,15-14-,18-17-/t34-,38+,39+,40-,44-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4835,"2E,7Z,10Z,13Z,16Z-Docosapentaenoyl Coenzyme A",C43H64N7O17P3S,-4,0,0,,NaN,NaN,,"",CE4835,CE4835,,NaN,"",CE4835,"",,,MNXM145822,,NaN,,,XSIBQUOFLNIVEK-XPBIURITSA-J,"InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,22-23,30-32,36-38,42,53-54H,4-7,10,13,16,19-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b9-8-,12-11-,15-14-,18-17-,23-22+/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4837,"Tetracosatetraenoyl CoA",C45H70N7O17P3S,-4,1110.092,1109.407474,C16171,53477846,NaN,HMDB0006516,"",,,FDB023954,NaN,"",CE4837,"",,,MNXM165171,,NaN,,,OKOXEYTYHDPTEW-LDTRCVKVSA-J,"InChI=1S/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4-7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b9-8-,12-11?,15-14-,18-17-/t34?,38?,39?,40?,44-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4838,"Trans-2-All-Cis-6,9,12,15,18-Tetracosahexaenoyl Coenzyme A",C45H66N7O17P3S,-4,0,0,,NaN,NaN,,"",,CE4838,,NaN,"",,"",,,,,NaN,,,UYOKHWFEUAJFMG-FEMJCMIVSA-J,"InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4-7,10,13,16,19,22-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38+,39+,40-,44-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4840,"(3S)-Hydroxy-Eicosa-Cis,Cis-11,14-Dienoyl Coenzyme A",C41H66N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4840,CE4840,,NaN,"",CE4840,"",,,MNXM163965,,NaN,,,MNTSLNSVZACNCX-QHKLFXJVSA-J,"InChI=1S/C41H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h8-9,11-12,27-30,34-36,40,49,52-53H,4-7,10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b9-8-,12-11-/t29?,30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4841,"3-Oxoeicosa-Cis,Cis-11,14-Dienoyl Coenzyme A",C41H64N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4841,CE4841,,NaN,"",CE4841,"",,,MNXM164268,,NaN,,,PUWDUOCPCWFEFG-YUKGHZHKSA-J,"InChI=1S/C41H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h8-9,11-12,27-28,30,34-36,40,52-53H,4-7,10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b9-8-,12-11-/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4842,"Trans,Cis,Cis-2,11,14-Eicosatrienoyl Coenzyme A",C41H64N7O17P3S,-4,0,0,,NaN,NaN,,"",CE4842,CE4842,,NaN,"",CE4842,"",,,MNXM165186,,NaN,,,JLHULLPFTGLIGF-NDKQPGGISA-J,"InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,20-21,28-30,34-36,40,51-52H,4-7,10,13-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11-,21-20+/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4843,"(11Z,14Z)-Icosadienoyl Coenzyme A",C41H66N7O17P3S,-4,0,0,C16180,NaN,NaN,,"",CE4843,CE4843,,NaN,"",CE4843,"",,,MNXM167435,,NaN,,,YCKYOUVXZZJCIU-CPZXDSACSA-J,"InChI=1S/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,28-30,34-36,40,51-52H,4-7,10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11+/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4844,"3(S)-Hydroxy-10,13,16-All-Cis-Docosatrienoyl Coenzyme A",C43H68N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4844,CE4844,,NaN,"",CE4844,"",,,MNXM150755,,NaN,,,SHYOGNDOVWXSLL-HYIOPBCUSA-J,"InChI=1S/C43H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,29-32,36-38,42,51,54-55H,4-7,10,13,16-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b9-8-,12-11-,15-14-/t31-,32-,36+,37+,38-,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4845,"3-Oxo-Docosa-Cis,Cis,Cis-10,13,16-Trienoyl Coenzyme A",C43H66N7O18P3S,-4,0,0,,NaN,NaN,,"",CE4845,CE4845,,NaN,"",CE4845,"",,,MNXM164264,,NaN,,,GPKHWNMCLWDFOL-YYOOZTOSSA-J,"InChI=1S/C43H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,29-30,32,36-38,42,54-55H,4-7,10,13,16-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b9-8-,12-11-,15-14-/t32-,36+,37+,38-,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4846,"Trans,Cis,Cis,Cis-2,10,13,16-Docosatetraenoyl Coenzyme A",C43H66N7O17P3S,-4,0,0,,NaN,NaN,,"",CE4846,CE4846,,NaN,"",CE4846,"",,,MNXM161733,,NaN,,,KFIUKMFBVDDVDZ-QDVXPSPJSA-J,"InChI=1S/C43H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,22-23,30-32,36-38,42,53-54H,4-7,10,13,16-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b9-8-,12-11-,15-14+,23-22+/t32-,36+,37+,38-,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4847,"10Z,13Z,16Z-Docosatrienoyl Coenzyme A",C43H68N7O17P3S,-4,0,0,,NaN,NaN,,"",CE4847,CE4847,,NaN,"",CE4847,"",,,MNXM153498,,NaN,,,NRFSUEZXHDEQRO-YYOOZTOSSA-J,"InChI=1S/C43H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,30-32,36-38,42,53-54H,4-7,10,13,16-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b9-8-,12-11-,15-14-/t32-,36+,37+,38-,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4848,"3(S)-Hydroxy-Docosa-10,13,16,19-All-Cis-Tetraenoyl Coenzyme A",C43H66N7O18P3S,-4,0,0,,NaN,NaN,,"",,CE4848,,NaN,"",CE4848,"",,,MNXM150759,,NaN,,,DALQBBQTVPOKDP-NEROYMAKSA-J,"InChI=1S/C43H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,29-32,36-38,42,51,54-55H,4,7,10,13,16-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b6-5-,9-8-,12-11-,15-14-/t31-,32-,36+,37+,38-,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4849,"3(S)-Hydroxy-Tetracosa-12,15,18,21-All-Cis-Tetraenoyl Coenzyme A",C45H70N7O18P3S,-4,0,0,,NaN,NaN,,"",,CE4849,,NaN,"",CE4849,"",,,MNXM150760,,NaN,,,VYZWWTGHKBYTPF-KHFKNKFYSA-J,"InChI=1S/C45H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,31-34,38-40,44,53,56-57H,4,7,10,13,16-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b6-5-,9-8-,12-11-,15-14-/t33-,34-,38+,39+,40-,44-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4850,"3-Oxo-Docosa-10,13,16,19-All-Cis-Tetraenoyl Coenzyme A",C43H64N7O18P3S,-4,0,0,,NaN,NaN,,"",,CE4850,,NaN,"",CE4850,"",,,MNXM164261,,NaN,,,MUBUSEARPWRSQN-XMTMOFKOSA-J,"InChI=1S/C43H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,14-15,29-30,32,36-38,42,54-55H,4,7,10,13,16-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b6-5-,9-8-,12-11-,15-14-/t32-,36+,37+,38-,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4851,"3-Oxo-Tetracosa-12,15,18,21-All-Cis-Tetraenoyl Coenzyme A",C45H68N7O18P3S,-4,0,0,,NaN,NaN,,"",,CE4851,,NaN,"",CE4851,"",,,MNXM164265,,NaN,,,HPMVBGKWFWCZAY-JDTXFHFDSA-J,"InChI=1S/C45H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,31-32,34,38-40,44,56-57H,4,7,10,13,16-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b6-5-,9-8-,12-11-,15-14-/t34-,38+,39+,40-,44-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4852,"Trans,Cis,Cis,Cis,Cis-2,10,13,16,19-Docosapentaenoyl Coenzyme A",C43H64N7O17P3S,-4,0,0,,NaN,NaN,,"",,CE4852,,NaN,"",CE4852,"",,,MNXM161731,,NaN,,,YGPXPVHOFOFFGA-ZTZKHISVSA-J,"InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,22-23,30-32,36-38,42,53-54H,4,7,10,13,16-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,15-14-,23-22+/t32-,36+,37+,38-,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4853,"Trans,Cis,Cis,Cis,Cis-2,12,15,18,21-Tetracosapentaenoyl Coenzyme A",C45H68N7O17P3S,-4,0,0,,NaN,NaN,,"",,CE4853,,NaN,"",CE4853,"",,,MNXM161732,,NaN,,,PJWUUOREXKKLME-RMETWYQESA-J,"InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,24-25,32-34,38-40,44,55-56H,4,7,10,13,16-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b6-5-,9-8-,12-11-,15-14-,25-24+/t34-,38+,39+,40-,44-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4854,"10Z,13Z,16Z,19Z-Docosatetraenoyl Coenzyme A",C43H66N7O17P3S,-4,0,0,,NaN,NaN,,"",,CE4854,,NaN,"",CE4854,"",,,MNXM164507,,NaN,,,BEEQBBPNTYBGDP-XCDRBBNYSA-J,"InChI=1S/C43H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,30-32,36-38,42,53-54H,4,7,10,13,16-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,15-14-/t32?,36?,37?,38?,42-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE4855,"12Z,15Z,18Z,21Z-Tetracosatetraenoyl Coenzyme A",C45H70N7O17P3S,-4,0,0,,NaN,NaN,,"",,CE4855,,NaN,"",CE4855,"",,,MNXM151927,,NaN,,,LLJDAYKOCIXVML-JDTXFHFDSA-J,"InChI=1S/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,32-34,38-40,44,55-56H,4,7,10,13,16-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b6-5-,9-8-,12-11-,15-14-/t34-,38+,39+,40-,44-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE4872,"3a,7a,12a-Trihydroxy-5b-cholestan-26-al",C27H46O4,0,434.6517,434.33961,C01301,439479,16466,HMDB0003533,"",CE4872,CE4872,FDB023188,388578,"",CE4872,"",,,MNXM867,,NaN,,,USFJGINJGUIFSY-VQKUADTHSA-N,"InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3/t16?,17-,18?,19+,20-,21?,22?,23+,24-,25?,26?,27-/m1/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])(C1([H])[H])C([H])([H])[C@]([H])(O[H])C1([H])C3([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])=O)C([H])([H])[H])[C@@]3(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])C21[H]
CE4874,"5Beta-Cholestane-3Alpha,7Alpha,12Alpha,27,27-Pentaol",C27H48O5,0,0,0,,NaN,NaN,,"",CE4874,CE4874,,NaN,"",CE4874,"",,,MNXM163692,,NaN,,,ISDIRLRPWGRAHM-ZWMZIDRZSA-N,"InChI=1S/C27H48O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-25,28-32H,5-14H2,1-4H3/t15?,16?,17?,18?,19-,20?,21?,22?,23?,24?,26+,27-/m0/s1",[H]OC([H])(O[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])C2([H])C3([H])C([H])(O[H])C([H])([H])C4([H])C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])(O[H])[C@]12C([H])([H])[H]
CE4876,"Delta12-Prostaglandin J2",C20H29O4,-1,0,0,,114678,NaN,,"",CE4876,CE4876,,NaN,"",CE4876,"",,,MNXM6638,,NaN,,,TUXFWOHFPFBNEJ-IRXDYDNUSA-M,"InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/p-1/t16-,17-/m0/s1",[H]O[C@]([H])(C([H])([H])C([H])=C1C(=O)C([H])=C([H])[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE4877,"15-Deoxy-Prostaglandin J2",C20H27O3,-1,0,0,,404025,NaN,,"",,CE4877,,NaN,"",CE4877,"",,,MNXM164061,,NaN,,,VHRUMKCAEVRUBK-GODQJPCRSA-M,"InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/p-1/b9-7-,10-6+,18-13+/t17-/m0/s1",[H]\C(\C(\[H])=C1\C(=O)C([H])=C([H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE4881,"Nitryl Chloride",ClNO2,0,0,0,,13932711,NaN,,"",,CE4881,,NaN,"",CE4881,"",,,MNXM162976,,NaN,,,NXRVFVBNLWGOCL-UHFFFAOYSA-N,"InChI=1S/ClNO2/c1-4-2-3",ClON=O
CE4888,"5,6-Dihydroxyindole",C8H7NO2,0,0,0,C05578,114683,27404,HMDB0004058,"",,CE4888,FDB023293,102690,"DIHYDROXYINDOLE",CE4888,"",,,MNXM163363,,7009,,,SGNZYJXNUURYCH-UHFFFAOYSA-N,"InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H",[H]OC1=C(O[H])C([H])=C2C([H])=C([H])N([H])C2=C1[H]
CE4890,"(S)-N-Methylsalsolinol",C11H16NO2,1,193.2423,193.1102787,,124148,NaN,HMDB0003892,"",CE4890,CE4890,FDB023244,110618,"",CE4890,"",,,MNXM31861,,NaN,53622-85-8,DTXSID90201867,RKMGOUZXGHZLBJ-ZETCQYMHSA-O,"InChI=1S/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3/p+1/t7-/m0/s1",[H]OC1=C([H])C2=C(C([H])=C1O[H])[C@]([H])(C([H])([H])[H])[N+]([H])(C([H])([H])[H])C([H])([H])C2([H])[H]
CE4898,"13'-Carboxy-Gama-Tocopherol",C28H45O4,-1,0,0,,53481463,NaN,,"",,,,NaN,"",CE4898,"",,,MNXM164055,,NaN,,,WPZHQZIUOXUCOK-PXUFRVCMSA-M,"InChI=1S/C28H46O4/c1-19(12-8-14-21(3)27(30)31)10-7-11-20(2)13-9-16-28(6)17-15-24-18-25(29)22(4)23(5)26(24)32-28/h18-21,29H,7-17H2,1-6H3,(H,30,31)/p-1/t19-,20+,21?,28-/m1/s1",[H]OC1=C(C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([O-])=O)C([H])([H])[H])C([H])([H])C([H])([H])C2=C1[H])C([H])([H])[H])C([H])([H])[H]
CE4922,"Noladin-Ether",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
CE4936,"N-Acetyl-Leukotriene E4",C25H37NO6S,-2,0,0,,53477792,NaN,,"",CE4936,,,NaN,"",CE4936,"",,,MNXM63564,,NaN,,,BGGYAYMMFYBWEX-PJEAHERNSA-L,"InChI=1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/p-2/b8-7-,11-10-,13-12+,17-14+/t21?,22-,23+/m0/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(SC([H])([H])C([H])(N([H])C(=O)C([H])([H])[H])C([O-])=O)C([H])=C([H])C([H])=C([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE4968,"Isovalerylglycine",C7H12NO3,-1,159.183,159.0895433,,546304,70984,HMDB0000678,"",CE4968,CE4968,FDB022177,475516,"",CE4968,"",,,MNXM58397,,5647,16284-60-9,DTXSID00338092,ZRQXMKMBBMNNQC-UHFFFAOYSA-M,"InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/p-1",[H]N(C(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([O-])=O
CE4969,"Isobutyrylglycine",C6H10NO3,-1,145.1564,145.0738932,,10855600,70979,HMDB0000730,"",CE4969,CE4969,FDB022208,9030891,"",CE4969,"",,,MNXM57844,,5698,15926-18-8,DTXSID10445943,DCICDMMXFIELDF-UHFFFAOYSA-M,"InChI=1S/C6H11NO3/c1-4(2)6(10)7-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)/p-1",[H]N(C(=O)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([O-])=O
CE4970,"2-Methylbutyrylglycine",C7H12NO3,-1,159.183,159.0895433,,193872,240943,HMDB0000339,"",CE4970,CE4970,FDB021963,168243,"",CE4970,"",,,MNXM35282,,5328,52320-67-9,,HOACIBQKYRHBOW-UHFFFAOYSA-M,"InChI=1S/C7H13NO3/c1-3-5(2)7(11)8-4-6(9)10/h5H,3-4H2,1-2H3,(H,8,11)(H,9,10)/p-1",[H]N(C(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([O-])=O
CE4980,"Prostaglandin PGE2 glyceryl ester",C23H38O7,0,426.5436,426.2617536,,53481593,NaN,HMDB0013045,"",,,FDB029268,NaN,"",CE4980,"",,,MNXM78303,,NaN,,,HJWDPZIOTMUWRW-KSGZNQJUSA-N,"InChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19-,20-,22-/m0/s1",[H]OC([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@]1([H])C(=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])C(\[H])=C(/[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])O[H]
CE4987,"10,11-Dihydro-Leukotriene B4",C20H33O4,-1,0,0,,53481449,NaN,,"",CE4987,CE4987,,NaN,"",CE4987,"",,,MNXM33031,,NaN,,,NKUPFHTVILUPKF-XOXFXLBCSA-M,"InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,18-19,21-22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/p-1/b8-7?,9-6-,15-11-/t18-,19-/m0/s1",[H]O[C@@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE4988,"10,11-Dihydro-12-Epi-Leukotriene B4",C20H33O4,-1,0,0,,NaN,NaN,,"",CE4988,CE4988,,NaN,"",CE4988,"",,,MNXM162617,,NaN,,,NKUPFHTVILUPKF-BQYFPHNDSA-M,"InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,18-19,21-22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/p-1/b8-7?,9-6-,15-11-",[H]OC([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE4989,"20-Oh-10,11-Dihydro-Leukotriene B4",C20H33O5,-1,0,0,,NaN,NaN,,"",CE4989,CE4989,,NaN,"",CE4989,"",,,MNXM163164,,NaN,,,XDXPWMISTPZJGX-JDDWRDQVSA-M,"InChI=1S/C20H34O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7,9,14,18-19,21-23H,1-2,6,8,10-13,15-17H2,(H,24,25)/p-1/b5-4?,7-3-,14-9-/t18-,19-/m0/s1",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(\[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE4990,"12-Oxo-Leukotriene B4",C20H29O4,-1,0,0,,5280876,NaN,,"",CE4990,CE4990,,NaN,"",CE4990,"",,,MNXM6635,,NaN,,,SJVWVCVZWMJXOK-UFMRDWSVSA-M,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,19,22H,2-5,12-13,16-17H2,1H3,(H,23,24)/p-1/b8-7+,9-6-,14-10?,15-11-/t19-/m1/s1",[H]O[C@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])C(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE4993,"10,11-Dihydro-12R-Hydroxy-Leukotriene C4",C30H47N3O10S,-2,0,0,,NaN,NaN,,"",CE4993,,,NaN,"",CE4993,"",,,MNXM150154,,NaN,,,GULYHEJDDHEDJT-BVLKIJLXSA-L,"InChI=1S/C30H49N3O10S/c1-2-3-4-5-6-8-12-21(34)13-9-7-10-15-25(24(35)14-11-16-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-17-22(31)30(42)43/h6-10,15,21-25,34-35H,2-5,11-14,16-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b8-6-,9-7+,15-10+/t21-,22+,23-,24-,25+/m0/s1",[H]O[C@]([H])(C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])[C@@]([H])(SC([H])([H])[C@]([H])([N+]([H])=C([O-])C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C([O-])=[N+]([H])C([H])([H])C([O-])=O)[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5013,"14-Hydroxy-4,14-Retro-Retinol",C20H30O2,0,0,0,,6449967,NaN,,"",,,,NaN,"",CE5013,"",,,MNXM165537,,NaN,,,PCRZONNRANOQPA-WBWVJYLOSA-N,"InChI=1S/C20H30O2/c1-15(8-6-9-17(3)19(22)14-21)11-12-18-16(2)10-7-13-20(18,4)5/h6,8-12,19,21-22H,7,13-14H2,1-5H3/b8-6+,15-11+,17-9+,18-12-",[H]OC([H])([H])C([H])(O[H])C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])\C(\[H])=C1\C(=C([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
CE5014,"anhydroretinol",C20H28,0,268.4363,268.2191009,,5287678,NaN,HMDB0062447,"",CE5014,,,NaN,"",CE5014,"",,,MNXM42129,,NaN,,,FWNRILWHNGFAIN-OYUWDNMLSA-N,"InChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-14H,1,9,15H2,2-6H3/b11-8+,16-10+,17-13+,19-14-",[H]C([H])=C([H])C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])\C(\[H])=C1\C(=C([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
CE5016,"13,14-Dihydroxy-Retinol",C20H32O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5016,"",,,MNXM165531,,NaN,,,IPJVXOBBCWHWMP-RLGMBWBISA-N,"InChI=1S/C20H32O3/c1-15(8-6-13-20(5,23)18(22)14-21)10-11-17-16(2)9-7-12-19(17,3)4/h6,8,10-11,13,18,21-23H,7,9,12,14H2,1-5H3/b11-10+,13-6+,15-8+",[H]OC([H])([H])C([H])(O[H])C(O[H])(C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])C([H])([H])[H]
CE5021,"Alpha-Tocopheryl Hydroquinone",C29H52O3,0,0,0,,NaN,NaN,,"",,CE5021,,NaN,"",CE5021,"",,,MNXM166990,,NaN,,,JOURHZSBLWSODQ-NRVWMRPUSA-N,"InChI=1S/C29H52O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,30-32H,9-19H2,1-8H3/t21?,22?,29-/m0/s1",[H]OC1=C(C(=C(O[H])C(=C1C([H])([H])[H])C([H])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5022,"alpha-Tocopherolquinone",C29H50O3,0,446.7055,446.3759955,,24205,NaN,HMDB0034408,"",,CE5022,FDB012799,22627,"",CE5022,"",,,MNXM164520,,NaN,,,LTVDFSLWFKLJDQ-UHFFFAOYSA-N,"InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3",[H]OC(C([H])([H])[H])(C([H])([H])C([H])([H])C1=C(C(=O)C(=C(C1=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
CE5025,"5-S-Glutathionyl-Dopamine",C18H26N4O8S,0,0,0,,NaN,NaN,,"",CE5025,CE5025,,NaN,"",CE5025,"",,,MNXM164351,,NaN,,,YTAAHCYRCMYQCJ-QWRGUYRKSA-N,"InChI=1S/C18H26N4O8S/c19-4-3-9-5-12(23)16(27)13(6-9)31-8-11(17(28)21-7-15(25)26)22-14(24)2-1-10(20)18(29)30/h5-6,10-11,23,27H,1-4,7-8,19-20H2,(H,21,28)(H,22,24)(H,25,26)(H,29,30)/t10-,11-/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC1=C(O[H])C(O[H])=C([H])C(=C1[H])C([H])([H])C([H])([H])N([H])[H]
CE5026,"5-S-Glutathionyl-L-Dopa",C19H25N4O10S,-1,0,0,,NaN,NaN,,"",CE5026,CE5026,,NaN,"",CE5026,"",,,MNXM164352,,NaN,,,QPUCCRKMCAEIND-JRUYECLLSA-M,"InChI=1S/C19H26N4O10S/c20-9(18(30)31)1-2-14(25)23-11(17(29)22-6-15(26)27)7-34-13-5-8(3-10(21)19(32)33)4-12(24)16(13)28/h4-5,9-11,24,28H,1-3,6-7,20-21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)(H,32,33)/p-1/t9-,10?,11-/m0/s1",[H]OC1=C([H])C(=C([H])C(SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)=C1O[H])C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H]
CE5049,"One Carbon Unit",CH2,0,0,0,,NaN,NaN,,"",,CE5049,,NaN,"",,"",,,,,NaN,,,MDUNCNLRRKCJGZ-UHFFFAOYSA-N,"InChI=1S/C/q-4",
CE5068,"2-Methylglutaconic Acid",C6H6O4,-2,0,0,,6368126,NaN,HMDB0002266,"",CE5068,,FDB022936,4897953,"",CE5068,"",,,MNXM165975,,6584,,,JKGHDBJDBRBRNA-UHFFFAOYSA-N,"InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)",[H]\C(=C(/C([O-])=O)C([H])([H])[H])C([H])([H])C([O-])=O
CE5072,"Tetrahydrodeoxycorticosterone",C21H34O3,0,334.4929,334.250795,C13713,101771,805752,HMDB0000879,"",,CE5072,FDB022296,91953,"",CE5072,"",,,MNXM8277,,5840,567-03-3,,CYKYBWRSLLXBOW-GDYGHMJCSA-N,"InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1",[H]OC([H])([H])C(=O)[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])[C@@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
CE5082,"N-Acetyl-L-Cystathionine",C9H15N2O5S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5082,"",,,MNXM168463,,NaN,,,QWACVTVBTRSCRL-UHFFFAOYSA-M,"InChI=1S/C9H16N2O5S/c1-5(12)11-7(9(15)16)4-17-3-2-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/p-1",[H]N(C(=O)C([H])([H])[H])C([H])(C([O-])=O)C([H])([H])SC([H])([H])C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H]
CE5101,"1-Phosphatidyl-1D-Myo-Inositol 5-Phosphate",C11H15O16P2R2,-3,0,0,C11557,NaN,16500,,"",,CE5101,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@]1([H])[C@@]([H])(O[H])[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]([H])(OP([O-])(=O)OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O)[C@]1([H])O[H]
CE5114,"Trans-2-Cis,Cis,Cis-8,11,14-Eicosatetraenoyl Coenzyme A",C41H62N7O17P3S,-4,0,0,,NaN,NaN,,"",CE5114,CE5114,,NaN,"",CE5114,"",,,MNXM165187,,NaN,,,WQDZFNIBNFNRLF-KMATUDAISA-J,"InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,20-21,28-30,34-36,40,51-52H,4-7,10,13,16-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11-,15-14-,21-20+/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5115,"Trans-3-Cis-5,8,11,14-Eicosapentaenoyl Coenzyme A",C41H60N7O17P3S,-4,0,0,,NaN,NaN,,"",CE5115,,,NaN,"",,"",,,,,NaN,,,PHIGJHMEMQBUMA-RFQMKJEJSA-J,"InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-20,28-30,34-36,40,51-52H,4-7,10,13,16,21-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11-,15-14-,18-17?,20-19+/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5116,"Trans-3-Cis-8,11,14-Eicosatetraenoyl Coenzyme A",C41H62N7O17P3S,-4,0,0,,NaN,NaN,,"",,CE5116,,NaN,"",,"",,,,,NaN,,,WQDZFNIBNFNRLF-KMATUDAISA-J,"InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,20-21,28-30,34-36,40,51-52H,4-7,10,13,16-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11-,15-14-,21-20+/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5117,"(3E,5Z,8Z)-Tetradecatrienoyl Coenzyme A",C35H52N7O17P3S,-4,0,0,,53481421,NaN,,"",CE5117,CE5117,,NaN,"",,"",,,,,NaN,,,FXHAQFYRGXSRHS-BXURZGJDSA-J,"InChI=1S/C35H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-14,22-24,28-30,34,45-46H,4-7,10,15-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b9-8+,12-11-,14-13+/t24-,28+,29+,30?,34-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE5118,"Trans-2-Cis,Cis-4,8-Tetradecatrienoyl Coenzyme A",C35H52N7O17P3S,-4,0,0,,NaN,NaN,,"",CE5118,CE5118,,NaN,"",,"",,,,,NaN,,,UNKYOAASBNXUKG-PZZJOPBOSA-J,"InChI=1S/C35H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,12-15,22-24,28-30,34,45-46H,4-7,10-11,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b9-8-,13-12-,15-14+/t24?,28?,29?,30?,34-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5119,"Trans-3-Cis-8-Tetradecadienoyl Coenzyme A",C35H54N7O17P3S,-4,0,0,,NaN,NaN,,"",CE5119,CE5119,,NaN,"",,"",,,,,NaN,,,IHYQVHHPNVFYHJ-XUGFFYHCSA-J,"InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,13-14,22-24,28-30,34,45-46H,4-7,10-12,15-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b9-8-,14-13-/t24?,28?,29?,30?,34-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5120,"Trans-2-Cis-8-Tetradecadienoyl Coenzyme A",C35H54N7O17P3S,-4,0,0,,NaN,NaN,,"",CE5120,CE5120,,NaN,"",,"",,,,,NaN,,,SLIJUARARQEXRE-NWLLKRMZSA-J,"InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,14-15,22-24,28-30,34,45-46H,4-7,10-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b9-8-,15-14+/t24?,28?,29?,30?,34-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5122,"Phytanoyl-CoA",C41H70N7O17P3S,-4,1062.049,1061.407474,C02060,439640,15538,HMDB0001359,"",,,FDB022577,388712,"CPD-206",CE5122,"",,,MNXM166069,,6189,146622-45-9,DTXSID40733885,NRJQGHHZMSOUEN-BJETZBMBSA-J,"InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/t27-,28-,29?,30?,34?,35?,36?,40+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5123,"3(S)-2-Hydroxyphytanoyl Coenzyme A",C41H70N7O18P3S,-4,0,0,,441263,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WNVFJMYPVBOLKV-YLNUKALLSA-J,"InChI=1S/C41H74N7O18P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51)39(64-29)48-24-47-31-36(42)45-23-46-37(31)48/h23-29,32-35,39,50-52H,8-22H2,1-7H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/t26?,27?,28?,29-,32?,33-,34-,35+,39-/m1/s1",[H]OC([H])(C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
CE5125,"(2S)-Pristanoyl Coenzyme A",C40H68N7O17P3S,-4,0,0,,NaN,64039,,"",,CE5125,,NaN,"",,"",,,,,NaN,,,XYJPSQPVCBNZHT-SCUPUGGFSA-J,"InChI=1S/C40H72N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h23-29,32-34,38,49-50H,8-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t26-,27-,28-,29-,32+,33+,34-,38-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE5126,"3-Hydroxybutyric acid",C40H68N7O17P3S,-4,104.1045,104.0473441,C01089,441,20067,HMDB0000357,"",,CE5126,FDB021797,428,"CPD-335",CE5126,"3-Hydroxybutyric acid",,,MNXM35866,,125,300-85-6,DTXSID60859511,XYJPSQPVCBNZHT-QWDPMMQESA-J,"InChI=1S/C40H72N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h23-29,32-34,38,49-50H,8-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t26?,27?,28?,29?,32?,33?,34?,38-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5133,"3Alpha,7Alpha-Dihydroxy-5Beta-Cholestan-27-Al",C27H46O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MZWYIFQIBJLCBI-OYYINRPOSA-N,"InChI=1S/C27H46O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h14-25,29-32H,5-13H2,1-4H3/t15-,16?,17+,18-,19-,20+,21+,22?,23-,24+,25+,26+,27-/m1/s1",[H]OC([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C([H])(C([H])=O)C([H])([H])[H]
CE5138,"12-Oxo-20-Hydroxy-Leukotriene B4",C20H29O5,-1,0,0,,53481459,NaN,,"",CE5138,,,NaN,"",CE5138,"",,,MNXM33278,,NaN,,,CZWPUWRHQBAXJS-QPPAMNDKSA-M,"InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,19,21,23H,1-2,6,10-12,15-17H2,(H,24,25)/p-1/b5-4+,7-3-,13-8?,14-9-/t19-/m0/s1",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5139,"12-Oxo-20-Dihydroxy-Leukotriene B4",C20H29O6,-1,0,0,,53481458,NaN,,"",CE5139,,,NaN,"",CE5139,"",,,MNXM33277,,NaN,,,SBSLZLBZGOASJL-QWSDKYSWSA-M,"InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,18-19,22-24H,1,3,9-11,14-16H2,(H,25,26)/p-1/b5-4+,6-2-,12-7?,13-8-/t18-/m0/s1",[H]OC([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5140,"12-Oxo-20-Trihydroxy-Leukotriene B4",C20H29O7,-1,0,0,,53481460,NaN,,"",CE5140,,,NaN,"",CE5140,"",,,MNXM33279,,NaN,,,QVZXILIWUPKGPA-OPOOLZJDSA-M,"InChI=1S/C20H30O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6-8,12-13,18,22,25-27H,1,5,9-11,14-16H2,(H,23,24)/p-1/b4-3+,6-2-,12-7?,13-8-/t18-/m0/s1",[H]O[C@@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])C(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])(O[H])O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5141,"12,20-Dioxo-Leukotriene B4",C20H27O5,-1,0,0,,NaN,NaN,,"",CE5141,,,NaN,"",CE5141,"",,,MNXM150182,,NaN,,,CPTWPKCLDUXOKW-QPPAMNDKSA-M,"InChI=1S/C20H28O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17,19,23H,1-2,6,10-12,15-16H2,(H,24,25)/p-1/b5-4+,7-3-,13-8?,14-9-/t19-/m0/s1",[H]O[C@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])C(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5144,"3-Oxo-11-Cis-Eicosenoyl Coenzyme A",C41H66N7O18P3S,-4,0,0,,NaN,NaN,,"",CE5144,CE5144,,NaN,"",CE5144,"",,,MNXM163188,,NaN,,,ASKKPQKSCFYPPP-JPKCQDBUSA-J,"InChI=1S/C41H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h11-12,27-28,30,34-36,40,52-53H,4-10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b12-11-/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5148,"3(S)-Hydroxy-11-Cis-Eicosenoyl Coenzyme A",C41H68N7O18P3S,-4,0,0,,NaN,NaN,,"",CE5148,CE5148,,NaN,"",CE5148,"",,,MNXM163172,,NaN,,,PREOMQKNJXWCLZ-XSAVFXOCSA-J,"InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h11-12,27-30,34-36,40,49,52-53H,4-10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b12-11-/t29?,30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5150,"Trans,Cis-2,11-Eicosadienoyl Coenzyme A",C41H66N7O17P3S,-4,0,0,,NaN,NaN,,"",CE5150,CE5150,,NaN,"",CE5150,"",,,MNXM163588,,NaN,,,LAECEUXZOONXDY-HSHMGGPLSA-J,"InChI=1S/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,20-21,28-30,34-36,40,51-52H,4-10,13-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b12-11-,21-20+/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5151,"11Z-Eicosenoyl Coenzyme A",C41H68N7O17P3S,-4,0,0,,NaN,NaN,,"",CE5151,CE5151,,NaN,"",CE5151,"",,,MNXM11852,,NaN,,,ZDRKXADSROCWCG-JPKCQDBUSA-J,"InChI=1S/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,28-30,34-36,40,51-52H,4-10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b12-11-/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5152,"3-Oxo-13Cis-Docosenoyl Coenzyme A",C43H70N7O18P3S,-4,0,0,,NaN,NaN,,"",CE5152,CE5152,,NaN,"",CE5152,"",,,MNXM163189,,NaN,,,TWKFVJBYYSLPHE-MVWMFJOUSA-J,"InChI=1S/C43H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h11-12,29-30,32,36-38,42,54-55H,4-10,13-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b12-11-/t32?,36?,37?,38?,42-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5153,"3(S)-Hydroxy-13Cis-Docosenoyl Coenzyme A",C43H72N7O18P3S,-4,0,0,,NaN,NaN,,"",CE5153,CE5153,,NaN,"",CE5153,"",,,MNXM163173,,NaN,,,FIPHCVZAQUEADL-PPPYEPNTSA-J,"InChI=1S/C43H76N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h11-12,29-32,36-38,42,51,54-55H,4-10,13-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b12-11+/t31?,32?,36?,37?,38?,42-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5154,"Trans,Cis-2,13-Docosadienoyl Coenzyme A",C43H70N7O17P3S,-4,0,0,,NaN,NaN,,"",CE5154,CE5154,,NaN,"",CE5154,"",,,MNXM163589,,NaN,,,UYOUIGJQABBRNN-NXIJUQBUSA-J,"InChI=1S/C43H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h11-12,22-23,30-32,36-38,42,53-54H,4-10,13-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b12-11-,23-22+/t32?,36?,37?,38?,42-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5155,"13Z-docosenoyl-CoA",C43H72N7O17P3S,-4,1088.09,1087.423126,C16531,71448925,74106,HMDB0062217,"",CE5155,CE5155,,NaN,"",CE5155,"",,,MNXM162947,,NaN,,,OWGHRDKRIGXBJM-MVWMFJOUSA-J,"InChI=1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h11-12,30-32,36-38,42,53-54H,4-10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b12-11-/t32?,36?,37?,38?,42-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5156,"3-Oxo-Cis-15-Tetracosaenoyl Coenzyme A",C45H74N7O18P3S,-4,0,0,,NaN,NaN,,"",CE5156,CE5156,,NaN,"",CE5156,"",,,MNXM163190,,NaN,,,OYATWRUGHUAXMW-KPDLDTBJSA-J,"InChI=1S/C45H78N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h11-12,31-32,34,38-40,44,56-57H,4-10,13-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b12-11-/t34?,38?,39?,40?,44-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5157,"3(S)-Hydroxy-Cis-15-Tetracosaenoyl Coenzyme A",C45H76N7O18P3S,-4,0,0,,NaN,NaN,,"",CE5157,CE5157,,NaN,"",CE5157,"",,,MNXM163174,,NaN,,,SOQFCYAWKYIIHN-CPMSOIFOSA-J,"InChI=1S/C45H80N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h11-12,31-34,38-40,44,53,56-57H,4-10,13-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b12-11+/t33?,34?,38?,39?,40?,44-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5158,"Trans,Cis-2,15-Tetracosadienoyl Coenzyme A",C45H74N7O17P3S,-4,0,0,,NaN,NaN,,"",CE5158,CE5158,,NaN,"",CE5158,"",,,MNXM163590,,NaN,,,VXYLAQGCUVCPNJ-HOOSPARASA-J,"InChI=1S/C45H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,24-25,32-34,38-40,44,55-56H,4-10,13-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b12-11-,25-24+/t34?,38?,39?,40?,44-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5160,"3-Oxo-Cis-9-Octadecenoyl Coenzyme A",C39H62N7O18P3S,-4,0,0,,NaN,NaN,,"",CE5160,CE5160,,NaN,"",CE5160,"",,,MNXM163191,,NaN,,,AVEYYKDEKGJVBU-BTGYZWEPSA-J,"InChI=1S/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h11-12,25-26,28,32-34,38,50-51H,4-10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b12-11-/t28?,32?,33?,34?,38-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5161,"3(S)-Hydroxy-Cis-9-Octadecenoyl Coenzyme A",C39H64N7O18P3S,-4,0,0,,NaN,NaN,,"",CE5161,CE5161,,NaN,"",CE5161,"",,,MNXM163175,,NaN,,,LHAYYTCFPMUQNR-WNBYKCIMSA-J,"InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h11-12,25-28,32-34,38,47,50-51H,4-10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b12-11-/t27?,28?,32?,33?,34?,38-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5162,"Trans,Cis-2,9-Octadecadienoyl Coenzyme A",C39H62N7O17P3S,-4,0,0,,NaN,NaN,,"",CE5162,CE5162,,NaN,"",CE5162,"",,,MNXM163591,,NaN,,,REOYMONHGHULEY-QPXATSSCSA-J,"InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,18-19,26-28,32-34,38,49-50H,4-10,13-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b12-11-,19-18+/t28?,32?,33?,34?,38-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5166,"(25S)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA",C48H76N7O20P3S,-4,1200.17,1199.439168,C17343,15942888,37643,HMDB0060307,"",CE5166,CE5166,,13085541,"",,"",,cpd03231,,,NaN,,,MNYDLIUNNOCPHG-TUTZYBGQSA-J,"InChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/p-4/t25-,26?,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE5168,"24(R),25(R)-Varanoyl Coenzyme A",C48H76N7O21P3S,-4,0,0,,NaN,NaN,,"",CE5168,,,NaN,"",CE5168,"",,,MNXM166027,,NaN,,,PXHZOQNODUPJKC-WYPPBEQDSA-J,"InChI=1S/C48H80N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-34,36,38-40,44,56-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/p-4/t24-,25+,26?,27+,28-,29?,30?,31-,32+,33-,34-,36?,38+,39+,40?,44-,47?,48-/m0/s1",[H]OC([H])(C([O-])=NC([H])([H])C([H])([H])C([O-])=NC([H])([H])C([H])([H])SC(=O)[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C4(C([H])([H])[H])C3([H])C([H])([H])[C@]([H])(O[H])[C@@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE5169,"3a,7a,12a-Trihydroxy-5b-24-oxocholestanoyl-CoA",C48H74N7O21P3S,-4,1214.154,1213.418433,C05467,440690,27379,HMDB0006891,"",CE5169,,FDB024138,389566,"",,"",,,,,NaN,,,AWLXQJGPNLCTLM-YFXOTMPNSA-J,"InChI=1S/C48H78N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-30,32-34,36,38-40,44,56,58-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/p-4/t24-,25?,26+,27-,28-,29+,30+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE5178,"5-Oxo-6-Trans-Leukotriene B4",C20H29O4,-1,0,0,,53481526,NaN,,"",CE5178,CE5178,,NaN,"",CE5178,"",,,MNXM38280,,NaN,,,MLZJFLKEKVDNAZ-ZQVKGQNISA-M,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/p-1/b8-7+,9-6-,14-10?,15-11+/t18-/m1/s1",[H]O[C@@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5179,"6,7-Dihydro-5-Oxo-Leukotriene B4",C20H31O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5179,"",,,MNXM163695,,NaN,,,RUTQOBJLGHUCJC-GOSISDBHSA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18,21H,2-5,11-13,15-17H2,1H3,(H,23,24)/p-1/t18-/m1/s1",[H]O[C@@]([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5236,"O2'-4a-cyclic-tetrahydrobiopterin",C9H13N5O3,0,239.2312,239.1018393,,53481588,NaN,HMDB0013031,"",CE5236,CE5236,FDB029257,NaN,"",CE5236,"",,,MNXM65212,,NaN,,,JZTDUNXDDUJXRZ-UPYOWCHBSA-N,"InChI=1S/C9H13N5O3/c1-3-5(15)4-2-11-6-9(14-4,17-3)7(16)13-8(10)12-6/h3-5,14-15H,2H2,1H3,(H3,10,11,12,13,16)/t3-,4?,5+,9?/m1/s1",[H]O[C@@]1([H])[C@]([H])(OC23N([H])C1([H])C([H])([H])N([H])C2=NC(=NC3=O)N([H])[H])C([H])([H])[H]
CE5239,"2-Hydroxy-17Beta-Estradiol-4-S-Glutathione",C28H38N3O9S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5239,"",,,MNXM163148,,NaN,,,RCTUXLCVWTYQMR-MTWSBYMSSA-M,"InChI=1S/C28H39N3O9S/c1-28-9-8-13-14(17(28)4-6-21(28)33)2-3-15-16(13)10-20(32)24(37)25(15)41-12-19(26(38)30-11-23(35)36)31-22(34)7-5-18(29)27(39)40/h10,13-14,17-19,21,32-33,37H,2-9,11-12,29H2,1H3,(H,30,38)(H,31,34)(H,35,36)(H,39,40)/p-1/t13?,14?,17?,18?,19-,21-,28-/m0/s1",[H]OC1=C([H])C2=C(C(SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)=C1O[H])C([H])([H])C([H])([H])C1([H])C3([H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])C21[H]
CE5240,"2-Hydroxyestrone-4-S-Glutathione",C28H36N3O9S,-1,0,0,,53481502,NaN,,"",,,,NaN,"",CE5240,"",,,MNXM35159,,NaN,,,ZKSQMGPMDHYFMB-GEAYSQNSSA-M,"InChI=1S/C28H37N3O9S/c1-28-9-8-13-14(17(28)4-6-21(28)33)2-3-15-16(13)10-20(32)24(37)25(15)41-12-19(26(38)30-11-23(35)36)31-22(34)7-5-18(29)27(39)40/h10,13-14,17-19,32,37H,2-9,11-12,29H2,1H3,(H,30,38)(H,31,34)(H,35,36)(H,39,40)/p-1/t13?,14?,17?,18-,19-,28+/m1/s1",[H]OC1=C(O[H])C(SC([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)=C2C(=C1[H])C1([H])C([H])([H])C([H])([H])[C@@]3(C(=O)C([H])([H])C([H])([H])C3([H])C1([H])C([H])([H])C2([H])[H])C([H])([H])[H]
CE5241,"2-Hydroxy-17Beta-Estradiol-1-S-Glutathione",C28H38N3O9S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5241,"",,,MNXM163147,,NaN,,,RJWRZPLAJHOFTD-VPMSSODUSA-M,"InChI=1S/C28H39N3O9S/c1-28-9-8-15-14(16(28)4-6-20(28)33)3-2-13-10-19(32)24(37)25(23(13)15)41-12-18(26(38)30-11-22(35)36)31-21(34)7-5-17(29)27(39)40/h10,14-18,20,32-33,37H,2-9,11-12,29H2,1H3,(H,30,38)(H,31,34)(H,35,36)(H,39,40)/p-1/t14?,15?,16?,17-,18?,20-,28-/m0/s1",[H]OC1=C([H])C2=C(C(SC([H])([H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)=C1O[H])C1([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C3([H])C1([H])C([H])([H])C2([H])[H]
CE5242,"2-Hydroxyestrone-1-S-Glutathione",C28H36N3O9S,-1,0,0,,53481501,NaN,,"",,,,NaN,"",CE5242,"",,,MNXM35158,,NaN,,,DGWRLJJHHOOYBF-DVFAMAHMSA-M,"InChI=1S/C28H37N3O9S/c1-28-9-8-15-14(16(28)4-6-20(28)33)3-2-13-10-19(32)24(37)25(23(13)15)41-12-18(26(38)30-11-22(35)36)31-21(34)7-5-17(29)27(39)40/h10,14-18,32,37H,2-9,11-12,29H2,1H3,(H,30,38)(H,31,34)(H,35,36)(H,39,40)/p-1/t14?,15?,16?,17-,18-,28+/m1/s1",[H]OC1=C(O[H])C(SC([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)=C2C(=C1[H])C([H])([H])C([H])([H])C1([H])C3([H])C([H])([H])C([H])([H])C(=O)[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])C21[H]
CE5243,"4-Hydroxy-17Beta-Estradiol-2-S-Glutathione",C28H38N3O9S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5243,"",,,MNXM151160,,NaN,,,ARFSXJIGVSWGDY-QKJBUJNWSA-M,"InChI=1S/C28H39N3O9S/c1-28-9-8-13-14(17(28)4-6-21(28)32)2-3-15-16(13)10-20(25(37)24(15)36)41-12-19(26(38)30-11-23(34)35)31-22(33)7-5-18(29)27(39)40/h10,13-14,17-19,21,32,36-37H,2-9,11-12,29H2,1H3,(H,30,38)(H,31,33)(H,34,35)(H,39,40)/p-1/t13-,14+,17-,18+,19+,21+,28+/m0/s1",[H]OC1=C(SC([H])([H])[C@]([H])([N+]([H])=C([O-])C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C([O-])=[N+]([H])C([H])([H])C([O-])=O)C([H])=C2C(=C1O[H])C([H])([H])C([H])([H])[C@]1([H])[C@@]3([H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]21[H]
CE5244,"4-Hydroxyestrone-2-S-Glutathione",C28H36N3O9S,-1,0,0,,53481521,NaN,,"",,,,NaN,"",CE5244,"",,,MNXM37530,,NaN,,,UKCFCQKNUGHMIT-GEAYSQNSSA-M,"InChI=1S/C28H37N3O9S/c1-28-9-8-13-14(17(28)4-6-21(28)32)2-3-15-16(13)10-20(25(37)24(15)36)41-12-19(26(38)30-11-23(34)35)31-22(33)7-5-18(29)27(39)40/h10,13-14,17-19,36-37H,2-9,11-12,29H2,1H3,(H,30,38)(H,31,33)(H,34,35)(H,39,40)/p-1/t13?,14?,17?,18-,19-,28+/m1/s1",[H]OC1=C(SC([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)C([H])=C2C(=C1O[H])C([H])([H])C([H])([H])C1([H])C3([H])C([H])([H])C([H])([H])C(=O)[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])C21[H]
CE5249,"17Beta-Estradiol-3,4-Quinone",C18H22O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5249,"",,,MNXM150262,,NaN,,,XVPUMLOTNZVTSL-BLNOFITASA-N,"InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,16-,18-/m0/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@]2([H])[C@@]3([H])C([H])([H])C([H])([H])C4=C(C([H])=C([H])C(=O)C4=O)[C@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
CE5250,"17Beta-Estradiol-2,3-Quinone",C18H22O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5250,"",,,MNXM150261,,NaN,,,LBSRSXWOMYPVBY-GVSKICRLSA-N,"InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,21H,2-7H2,1H3/t11-,12+,14-,17+,18+/m0/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@]2([H])[C@@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C(=O)C([H])=C4[C@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
CE5251,"Estrone-3,4-quinone",C18H20O3,0,284.3496,284.1412445,,53481560,NaN,HMDB0012942,"",,,FDB029220,NaN,"ESTRONE-SULFATE",CE5251,"",,,MNXM52647,,NaN,633-34-1,,REMSDZFYMQQJFD-PEDDLLMLSA-N,"InChI=1S/C18H20O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14H,2-3,5,7-9H2,1H3/t11?,12?,14?,18-/m0/s1",[H]C1=C([H])C2=C(C(=O)C1=O)C([H])([H])C([H])([H])C1([H])C3([H])C([H])([H])C([H])([H])C(=O)[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])C21[H]
CE5252,"Estrone-2,3-quinone",C18H20O3,0,284.3496,284.1412445,,53481559,NaN,HMDB0012941,"",,,FDB029219,NaN,"",CE5252,"",,,MNXM52646,,NaN,40551-33-5,,WFPLOQDPWXNOST-PEDDLLMLSA-N,"InChI=1S/C18H20O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3/t11?,12?,14?,18-/m0/s1",[H]C1=C2C(=C([H])C(=O)C1=O)C1([H])C([H])([H])C([H])([H])[C@@]3(C(=O)C([H])([H])C([H])([H])C3([H])C1([H])C([H])([H])C2([H])[H])C([H])([H])[H]
CE5253,"17Beta-Estradiol-3,4-Semiquinone",C18H22O3,0,0,0,,NaN,NaN,,"",,CE5253,,NaN,"",CE5253,"",,,MNXM165551,,NaN,,,,"",
CE5254,"17Beta-Estradiol-2,3-Semiquinone",C18H22O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5254,"",,,MNXM165550,,NaN,,,,"",
CE5255,"Estrone-3,4-Semiquinone",C18H20O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5255,"",,,MNXM167710,,NaN,,,,"",
CE5256,"Estrone-2,3-Semiquinone",C18H20O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5256,"",,,MNXM167709,,NaN,,,,"",
CE5272,"3,4-Dihydro-1,4-Benzothiazine-3-Carboxylate",C12H13N2O5S,-1,0,0,,NaN,NaN,,"",CE5272,,,NaN,"",,"",,,,,NaN,,,ACUWXAUSGNGBKQ-RNFRBKRXSA-M,"InChI=1S/C12H14N2O5S/c13-6(11(16)17)1-5-2-8(15)10-9(3-5)20-4-7(14-10)12(18)19/h2-3,6-7,14-15H,1,4,13H2,(H,16,17)(H,18,19)/p-1/t6-,7-/m1/s1",[H]OC(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([O-])=C2N([H])[C@@]([H])(C(=O)O[H])C([H])([H])SC2=C1[H]
CE5274,"3,5-Dihydroxy-3,4-Dihydro-1,4-Benzothiazine",C11H14N2O4S,0,0,0,,NaN,NaN,,"",CE5274,,,NaN,"",,"",,,,,NaN,,,SPQSSVXRGGWWIP-VJSCVCEBSA-N,"InChI=1S/C11H14N2O4S/c12-6(11(16)17)1-5-2-7(14)10-8(3-5)18-4-9(15)13-10/h2-3,6,9,13-15H,1,4,12H2,(H,16,17)/t6-,9?/m1/s1",[H]OC(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C(O[H])=C2N([H])C([H])(O[H])C([H])([H])SC2=C1[H]
CE5276,"Dopamine O-Quinone",C8H10NO2,1,151.1649933,151.0633285,,162602,NaN,,"",CE5276,CE5276,,NaN,"",CE5276,"",,,MNXM5727,,NaN,50673-96-6,DTXSID20198716,PQPXZWUZIOASKS-UHFFFAOYSA-O,"InChI=1S/C8H9NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5H,3-4,9H2/p+1",[H]C1=C([H])C(=C([H])C(=O)C1=O)C([H])([H])C([H])([H])[N+]([H])([H])[H]
CE5277,"Aminochrome o-semiquinone",C8H8NO2,0,150.1546,150.0555035,,NaN,NaN,HMDB0060279,"",,,,NaN,"",CE5277,"",,,MNXM152198,,NaN,,,SUOKBNMHVMNQDG-UHFFFAOYSA-N,"InChI=1S/C8H8NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9,11H,1-2H2",[H]OC1=C([O])C([H])=C2C(N([H])C([H])([H])C2([H])[H])=C1[H]
CE5278,"Dopachrome O-Semiquinone",C9H6NO4,-2,0,0,,53481550,NaN,,"",CE5278,,,NaN,"",CE5278,"",,,MNXM51534,,NaN,,,YHAPBGUGQAHLME-ZCFIWIBFSA-L,"InChI=1S/C9H8NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10,12H,1H2,(H,13,14)/p-2/t6-/m1/s1",[H]N1C2=C(C([H])=C([O])C([O-])=C2[H])C([H])([H])[C@]1([H])C([O-])=O
CE5304,"15-deoxy-PGD2",C20H29O4,0,334.456,334.2144094,,5283052,NaN,HMDB0062298,"",CE5304,CE5304,,NaN,"",CE5304,"",,,MNXM33412,,NaN,,,QUGBPWLPAUHDTI-PLGLXCLHSA-N,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t17-,19+/m1/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@]1([H])\C(=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)C([H])([H])[C@]1([H])O[H]
CE5305,"3(S),6(R)-Dihydroxy-Tetradec-8Z-Enoate",C14H25O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OUPAWBIIPPCTBK-BAGCDHRJSA-M,"InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-12(15)9-10-13(16)11-14(17)18/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,17,18)/p-1/b7-6-/t12-,13?/m0/s1",[H]O[C@@]([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C([O-])=O
CE5306,"3(S),8(R)-Dihydroxy-6E,10Z-Hexadecadienoate",C16H27O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XUYMRSHCNSDJAN-OOOKLALXSA-M,"InChI=1S/C16H28O4/c1-2-3-4-5-6-7-10-14(17)11-8-9-12-15(18)13-16(19)20/h6-8,11,14-15,17-18H,2-5,9-10,12-13H2,1H3,(H,19,20)/p-1/b7-6-,11-8?",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5307,"3-Oxo-10(R)-Hydroxy-Octadeca-6E,8E,12Z-Trienoate",C18H27O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5307,"",,,MNXM163671,,NaN,,,DASVGFACDRAZQR-GIXDFHNZSA-M,"InChI=1S/C18H28O4/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14-17(20)15-18(21)22/h6-10,13,16,19H,2-5,11-12,14-15H2,1H3,(H,21,22)/p-1/b8-7+,9-6-,13-10?",[H]OC([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5308,"3-Oxo-6(R)-Hydroxy-Tetradec-8-Cis-Enoate",C14H23O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JVEAMJNRAYIMIF-DGMVEKRQSA-M,"InChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-12(15)9-10-13(16)11-14(17)18/h6-7,12,15H,2-5,8-11H2,1H3,(H,17,18)/p-1/b7-6-/t12-/m0/s1",[H]O[C@@]([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([O-])=O
CE5309,"3-Oxo-8(R)-Hydroxy-Hexadeca-6E,10Z-Dienoate",C16H25O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NWVJXHCRPZDUPG-OOOKLALXSA-M,"InChI=1S/C16H26O4/c1-2-3-4-5-6-7-10-14(17)11-8-9-12-15(18)13-16(19)20/h6-8,11,14,17H,2-5,9-10,12-13H2,1H3,(H,19,20)/p-1/b7-6-,11-8?",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5310,"4(R)-Hydroxy-Dodec-6Z-Enoate",C12H21O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,CEFZHZYOVDYOOX-ZADCQDASSA-M,"InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h6-7,11,13H,2-5,8-10H2,1H3,(H,14,15)/p-1/b7-6-/t11-/m0/s1",[H]O[C@@]([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O
CE5311,"6(R)-Hydroxy-Tetradeca-2E,4E,8Z-Trienoate",C14H21O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,QUFPURXOBLGZGX-WOIQIYMZSA-M,"InChI=1S/C14H22O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h6-9,11-13,15H,2-5,10H2,1H3,(H,16,17)/p-1/b7-6-,11-8+,12-9+",[H]OC([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5312,"6(R)-Hydroxy-Tetradeca-2E,8Z-Dienoate",C14H23O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VQWQOPHSYMUQTK-OWXLQUNNSA-M,"InChI=1S/C14H24O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h6-7,9,12-13,15H,2-5,8,10-11H2,1H3,(H,16,17)/p-1/b7-6-,12-9+/t13-/m0/s1",[H]O[C@@]([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([O-])=O
CE5313,"6(R)-Hydroxy-Tetradeca-4E,8Z-Dienoate",C14H23O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YUXIINYOKQBAER-BQGCWICQSA-M,"InChI=1S/C14H24O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h6-8,11,13,15H,2-5,9-10,12H2,1H3,(H,16,17)/p-1/b7-6-,11-8+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5314,"8(R)-Hydroxy-Hexadeca-2E,4E,6E,10Z-Tetraenoate",C16H23O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,TVMLJOGNECRAAY-MOGWUJDVSA-M,"InChI=1S/C16H24O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h6-11,13-15,17H,2-5,12H2,1H3,(H,18,19)/p-1/b8-7+,9-6-,13-10+,14-11+",[H]OC([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5315,"8(R)-Hydroxy-Hexadeca-2E,6E,10Z-Trienoate",C16H25O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,IJVWUUQYBXXWDO-NSFVLYLPSA-M,"InChI=1S/C16H26O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h6,9-11,13-15,17H,2-5,7-8,12H2,1H3,(H,18,19)/p-1/b9-6-,13-10+,14-11+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5316,"8(R)-Hydroxy-Hexadeca-4E,6E,10Z-Trienoate",C16H25O3,-1,0,0,,6610221,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,KBOVKDIBOBQLRS-OAHLLOKOSA-M,"InChI=1S/C16H26O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h6-10,13,15,17H,2-5,11-12,14H2,1H3,(H,18,19)/p-1/t15-/m1/s1",[H]O[C@@]([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5317,"3(S),6(S)-Dihydroxy-Tetradec-8Z-Enoate",C14H25O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OUPAWBIIPPCTBK-SREVYHEPSA-M,"InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-12(15)9-10-13(16)11-14(17)18/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,17,18)/p-1/b7-6-",[H]OC([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C([O-])=O
CE5318,"3(S),8(S)-Dihydroxy-6E,10Z-Hexadecadienoate",C16H27O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XUYMRSHCNSDJAN-IIQWCFDOSA-M,"InChI=1S/C16H28O4/c1-2-3-4-5-6-7-10-14(17)11-8-9-12-15(18)13-16(19)20/h6-8,11,14-15,17-18H,2-5,9-10,12-13H2,1H3,(H,19,20)/p-1/b7-6-,11-8?/t14-,15?/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5319,"3-Oxo-10(S)-Hydroxy-Octadeca-6E,8E,12Z-Trienoate",C18H27O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5319,"",,,MNXM163672,,NaN,,,DASVGFACDRAZQR-JFFUZHLISA-M,"InChI=1S/C18H28O4/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14-17(20)15-18(21)22/h6-10,13,16,19H,2-5,11-12,14-15H2,1H3,(H,21,22)/p-1/b8-7+,9-6-,13-10?/t16-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5320,"3-Oxo-6(S)-Hydroxy-Tetradec-8Z-Enoate",C14H23O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JVEAMJNRAYIMIF-SREVYHEPSA-M,"InChI=1S/C14H24O4/c1-2-3-4-5-6-7-8-12(15)9-10-13(16)11-14(17)18/h6-7,12,15H,2-5,8-11H2,1H3,(H,17,18)/p-1/b7-6-",[H]OC([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([O-])=O
CE5321,"3-Oxo-8(S)-Hydroxy-Hexadeca-6E,10Z-Dienoate",C16H25O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NWVJXHCRPZDUPG-NPSBZYNESA-M,"InChI=1S/C16H26O4/c1-2-3-4-5-6-7-10-14(17)11-8-9-12-15(18)13-16(19)20/h6-8,11,14,17H,2-5,9-10,12-13H2,1H3,(H,19,20)/p-1/b7-6-,11-8?/t14-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5322,"4(S)-Hydroxy-Dodec-6Z-Enoate",C12H21O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,CEFZHZYOVDYOOX-SREVYHEPSA-M,"InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h6-7,11,13H,2-5,8-10H2,1H3,(H,14,15)/p-1/b7-6-",[H]OC([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O
CE5323,"6(S)-Hydroxy-Tetradeca-2E,4E,8Z-Trienoate",C14H21O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,QUFPURXOBLGZGX-XCSFDSRXSA-M,"InChI=1S/C14H22O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h6-9,11-13,15H,2-5,10H2,1H3,(H,16,17)/p-1/b7-6-,11-8+,12-9+/t13-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5324,"6(S)-Hydroxy-Tetradeca-2E,8Z-Dienoate",C14H23O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VQWQOPHSYMUQTK-IYNHQRNQSA-M,"InChI=1S/C14H24O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h6-7,9,12-13,15H,2-5,8,10-11H2,1H3,(H,16,17)/p-1/b7-6-,12-9+",[H]OC([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([O-])=O
CE5325,"6(S)-Hydroxy-Tetradeca-4E,8Z-Dienoate",C14H23O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YUXIINYOKQBAER-YZPANATGSA-M,"InChI=1S/C14H24O3/c1-2-3-4-5-6-7-10-13(15)11-8-9-12-14(16)17/h6-8,11,13,15H,2-5,9-10,12H2,1H3,(H,16,17)/p-1/b7-6-,11-8+/t13-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5326,"8(S)-Hydroxy-Hexadeca-2E,4E,6E,10Z-Tetraenoate",C16H23O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,TVMLJOGNECRAAY-AWTGQPBESA-M,"InChI=1S/C16H24O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h6-11,13-15,17H,2-5,12H2,1H3,(H,18,19)/p-1/b8-7+,9-6-,13-10+,14-11+/t15-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5327,"8(S)-Hydroxy-Hexadeca-2E,6E,10Z-Trienoate",C16H25O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,IJVWUUQYBXXWDO-JZRBGYMBSA-M,"InChI=1S/C16H26O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h6,9-11,13-15,17H,2-5,7-8,12H2,1H3,(H,18,19)/p-1/b9-6-,13-10+,14-11+/t15-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5328,"8(S)-Hydroxy-Hexadeca-4E,6E-10Z-Trienoate",C16H25O3,-1,0,0,,6610221,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,KBOVKDIBOBQLRS-OAHLLOKOSA-M,"InChI=1S/C16H26O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h6-10,13,15,17H,2-5,11-12,14H2,1H3,(H,18,19)/p-1/t15-/m1/s1",[H]O[C@@]([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5329,"3(S),12(S)-Dihydroxy-5-Oxo-Eicosa-8E,10E,14Z-Trienoyl Coenzyme A",C41H62N7O20P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5329,"",,,MNXM162896,,NaN,,,MTOULHSNAKRXGD-SWUWZMOTSA-J,"InChI=1S/C41H66N7O20P3S/c1-4-5-6-7-8-11-14-27(49)15-12-9-10-13-16-28(50)21-29(51)22-32(53)72-20-19-43-31(52)17-18-44-39(56)36(55)41(2,3)24-65-71(62,63)68-70(60,61)64-23-30-35(67-69(57,58)59)34(54)40(66-30)48-26-47-33-37(42)45-25-46-38(33)48/h8-12,15,25-27,29-30,34-36,40,49,51,54-55H,4-7,13-14,16-24H2,1-3H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/b10-9+,11-8+,15-12+/t27-,29?,30?,34?,35?,36?,40-/m0/s1",[H]O[C@]([H])(C([H])=C([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([H])(O[H])C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5331,"3,5-Dioxo-12(S)-Hydroxy-Eicosa-8E,10E,14Z-Trienoyl Coenzyme A",C41H60N7O20P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5331,"",,,MNXM162899,,NaN,,,KPSNLEVFRZBSQC-OMVKAVPHSA-J,"InChI=1S/C41H64N7O20P3S/c1-4-5-6-7-8-11-14-27(49)15-12-9-10-13-16-28(50)21-29(51)22-32(53)72-20-19-43-31(52)17-18-44-39(56)36(55)41(2,3)24-65-71(62,63)68-70(60,61)64-23-30-35(67-69(57,58)59)34(54)40(66-30)48-26-47-33-37(42)45-25-46-38(33)48/h8-12,15,25-27,30,34-36,40,49,54-55H,4-7,13-14,16-24H2,1-3H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/b10-9+,11-8-,15-12+/t27-,30?,34?,35?,36?,40-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(=O)C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5337,"3-Oxo-10(S)-Hydroxy-Octadeca-6E,8E,12Z-Trienoyl Coenzyme A",C39H58N7O19P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5337,"",,,MNXM162903,,NaN,,,SVVDPRGQCCIAMF-RSKBEZANSA-J,"InChI=1S/C39H62N7O19P3S/c1-4-5-6-7-8-11-14-26(47)15-12-9-10-13-16-27(48)21-30(50)69-20-19-41-29(49)17-18-42-37(53)34(52)39(2,3)23-62-68(59,60)65-67(57,58)61-22-28-33(64-66(54,55)56)32(51)38(63-28)46-25-45-31-35(40)43-24-44-36(31)46/h8-12,15,24-26,28,32-34,38,47,51-52H,4-7,13-14,16-23H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/p-4/b10-9?,11-8-,15-12-/t26-,28?,32?,33?,34?,38-/m0/s1",[H]O[C@]([H])(C([H])=C([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5341,"5-Oxo-12(S)-Hydroxy-Eicosa-2E,8E,10E,14Z-Tetraenoyl Coenzyme A",C41H60N7O19P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5341,"",,,MNXM163215,,NaN,,,SCEIHBUXWIZVRQ-PSBMFCTASA-J,"InChI=1S/C41H64N7O19P3S/c1-4-5-15-28(49)16-12-10-8-6-7-9-11-13-17-29(50)18-14-19-32(52)71-23-22-43-31(51)20-21-44-39(55)36(54)41(2,3)25-64-70(61,62)67-69(59,60)63-24-30-35(66-68(56,57)58)34(53)40(65-30)48-27-47-33-37(42)45-26-46-38(33)48/h6-7,9,11-12,14,16,19,26-28,30,34-36,40,49,53-54H,4-5,8,10,13,15,17-18,20-25H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-4/b7-6+,11-9+,16-12-,19-14+/t28?,30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(\[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(\[H])=C(/[H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5342,"5-Oxo-12(S)-Hydroxy-Eicosa-8E,10E,14Z-Trienoyl Coenzyme A",C41H62N7O19P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5342,"",,,MNXM162806,,NaN,,,SMWLNBURDHTIJO-BGWQBKBRSA-J,"InChI=1S/C41H66N7O19P3S/c1-4-5-6-7-8-11-15-28(49)16-12-9-10-13-17-29(50)18-14-19-32(52)71-23-22-43-31(51)20-21-44-39(55)36(54)41(2,3)25-64-70(61,62)67-69(59,60)63-24-30-35(66-68(56,57)58)34(53)40(65-30)48-27-47-33-37(42)45-26-46-38(33)48/h8-12,16,26-28,30,34-36,40,49,53-54H,4-7,13-15,17-25H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-4/b10-9+,11-8+,16-12+/t28-,30?,34?,35?,36?,40-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5343,"6,7-Dihydro-5-Oxo-12-Epi-Leukotriene B",C20H31O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5343,"",,,MNXM162494,,NaN,,,RUTQOBJLGHUCJC-ATHKOCGESA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18,21H,2-5,11-13,15-17H2,1H3,(H,23,24)/p-1/b8-7+,9-6-,14-10+/t18-/m1/s1",[H]O[C@@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5344,"3(S),12(R)-Dihydroxy-5-Oxo-Eicosa-8E,10E,14Z-Trienoyl Coenzyme A",C41H62N7O20P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5344,"",,,MNXM162895,,NaN,,,MTOULHSNAKRXGD-YCGRRFPFSA-J,"InChI=1S/C41H66N7O20P3S/c1-4-5-6-7-8-11-14-27(49)15-12-9-10-13-16-28(50)21-29(51)22-32(53)72-20-19-43-31(52)17-18-44-39(56)36(55)41(2,3)24-65-71(62,63)68-70(60,61)64-23-30-35(67-69(57,58)59)34(54)40(66-30)48-26-47-33-37(42)45-25-46-38(33)48/h8-12,15,25-27,29-30,34-36,40,49,51,54-55H,4-7,13-14,16-24H2,1-3H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/t27-,29+,30+,34-,35-,36?,40+/m1/s1",[H]O[C@@]([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])([H])C(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])C(=O)SC([H])([H])C([H])([H])N=C([O-])C([H])([H])C([H])([H])N=C([O-])C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5345,"3,5-Dioxo-12(R)-Hydroxy-Eicosa-8E,10E,14Z-Trienoyl Coenzyme A",C41H60N7O20P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5345,"",,,MNXM162898,,NaN,,,KPSNLEVFRZBSQC-DTYLLQJSSA-J,"InChI=1S/C41H64N7O20P3S/c1-4-5-6-7-8-11-14-27(49)15-12-9-10-13-16-28(50)21-29(51)22-32(53)72-20-19-43-31(52)17-18-44-39(56)36(55)41(2,3)24-65-71(62,63)68-70(60,61)64-23-30-35(67-69(57,58)59)34(54)40(66-30)48-26-47-33-37(42)45-25-46-38(33)48/h8-12,15,25-27,30,34-36,40,49,54-55H,4-7,13-14,16-24H2,1-3H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/b10-9+,11-8+,15-12+/t27?,30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(=O)C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5346,"3-Oxo-10(R)-Hydroxy-Octadeca-6E,8E,12Z-Trienoyl Coenzyme A",C39H58N7O19P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5346,"",,,MNXM162902,,NaN,,,SVVDPRGQCCIAMF-SESGPPJXSA-J,"InChI=1S/C39H62N7O19P3S/c1-4-5-6-7-8-11-14-26(47)15-12-9-10-13-16-27(48)21-30(50)69-20-19-41-29(49)17-18-42-37(53)34(52)39(2,3)23-62-68(59,60)65-67(57,58)61-22-28-33(64-66(54,55)56)32(51)38(63-28)46-25-45-31-35(40)43-24-44-36(31)46/h8-12,15,24-26,28,32-34,38,47,51-52H,4-7,13-14,16-23H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/p-4/b10-9+,11-8-,15-12+/t26?,28?,32?,33?,34?,38-/m0/s1",[H]OC([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5347,"5-Oxo-12(R)-Hydroxy-Eicosa-2E,8E,10E,14Z-Tetraenoyl Coenzyme A",C41H60N7O19P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5347,"",,,MNXM163214,,NaN,,,SCEIHBUXWIZVRQ-DEOJHUTOSA-J,"InChI=1S/C41H64N7O19P3S/c1-4-5-15-28(49)16-12-10-8-6-7-9-11-13-17-29(50)18-14-19-32(52)71-23-22-43-31(51)20-21-44-39(55)36(54)41(2,3)25-64-70(61,62)67-69(59,60)63-24-30-35(66-68(56,57)58)34(53)40(65-30)48-27-47-33-37(42)45-26-46-38(33)48/h6-7,9,11-12,14,16,19,26-28,30,34-36,40,49,53-54H,4-5,8,10,13,15,17-18,20-25H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-4/b7-6+,11-9+,16-12-,19-14+/t28-,30?,34?,35?,36?,40+/m0/s1",[H]O[C@@]([H])(C(\[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(\[H])=C(/[H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5348,"5-Oxo-12(R)-Hydroxy-Eicosa-8E,10E,14Z-Trienoyl Coenzyme A",C41H62N7O19P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5348,"",,,MNXM162805,,NaN,,,SMWLNBURDHTIJO-JULPYIMCSA-J,"InChI=1S/C41H66N7O19P3S/c1-4-5-6-7-8-11-15-28(49)16-12-9-10-13-17-29(50)18-14-19-32(52)71-23-22-43-31(51)20-21-44-39(55)36(54)41(2,3)25-64-70(61,62)67-69(59,60)63-24-30-35(66-68(56,57)58)34(53)40(65-30)48-27-47-33-37(42)45-26-46-38(33)48/h8-12,16,26-28,30,34-36,40,49,53-54H,4-7,13-15,17-25H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-4/b10-9+,11-8-,16-12+/t28?,30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5349,"5-Oxo-6E-12-Epi-Leukotriene B4",C20H29O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5349,"",,,MNXM162807,,NaN,,,MLZJFLKEKVDNAZ-GOSISDBHSA-M,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/p-1/t18-/m1/s1",[H]O[C@@]([H])(C([H])=C([H])C([H])=C([H])C([H])=C([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5350,"6,7-dihydro-12-epi-LTB4",C20H33O4,-1,338.4816,338.2457096,,53481527,NaN,HMDB0012838,"",,,FDB029182,NaN,"",,"",,,,,NaN,,,ZMZNVSWCIRFLBV-GRXSAWGRSA-N,"InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18-19,21-22H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-,19+/m1/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])[C@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5352,"6,7-Dihydro-Leukotriene B4",C20H33O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5352,"",,,MNXM164366,,NaN,,,ZMZNVSWCIRFLBV-MOPGFXCFSA-M,"InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18-19,21-22H,2-5,11-13,15-17H2,1H3,(H,23,24)/p-1/t18-,19+/m1/s1",[H]O[C@@]([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5456,"(R)-2-Hydroxy-4-Methylpentanoate",C6H11O3,-1,0,0,,439960,NaN,,"",CE5456,,,NaN,"",CE5456,"",,,MNXM30866,,NaN,,,LVRFTAZAXQPQHI-RXMQYKEDSA-M,"InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/p-1/t5-/m1/s1",[H]O[C@@]([H])(C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
CE5525,"12-Oxo-20-Carboxy-Leukotriene B4",C20H26O6,-2,0,0,,53481457,NaN,,"",CE5525,,,NaN,"",CE5525,"",,,MNXM33276,,NaN,,,VLMCDTMNMDDMLC-QWSDKYSWSA-L,"InChI=1S/C20H28O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,18,22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/p-2/b5-4+,6-2-,12-7?,13-8-/t18-/m0/s1",[H]O[C@@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])C(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5526,"13-Oxy Radical-Octadecadienoate",C18H30O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ZJQRAPFDSKMILQ-CLOOOTJHSA-M,"InChI=1S/C18H31O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16H,2-7,9-10,12-15H2,1H3,(H,19,20)/p-1/b11-8-/t16-/m0/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[C]1O[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5527,"12,13-Epoxylinoleic Acid Radical",C18H30O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
CE5528,"12,13-Epoxy-9-Alkoxy-10E-Octadecenoate",C18H30O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]\C(=C(\[H])C1([H])OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(O[*]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5530,"7-a,27-Dihydroxycholesterol",C27H46O3,0,418.6523,418.3446953,C06341,440985,18431,HMDB0006281,"",CE5530,,FDB023875,389810,"CPD-7243",,"",,,,,NaN,4725-24-0,,RXMHNAKZMGJANZ-DTTSCKGMSA-N,"InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
CE5531,"12-Oxo-C-Ltb3",C30H45N3O10S,-2,0,0,,NaN,NaN,,"",CE5531,,,NaN,"",CE5531,"",,,MNXM150197,,NaN,,,ZFHPYBQKHVEFHO-AJMWJPAYSA-L,"InChI=1S/C30H47N3O10S/c1-2-3-4-5-6-8-12-21(34)13-9-7-10-15-25(24(35)14-11-16-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-17-22(31)30(42)43/h6-10,15,22-25,35H,2-5,11-14,16-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b8-6-,9-7+,15-10+/t22-,23-,24-,25+/m0/s1",[H]O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@@]([H])(SC([H])([H])[C@@]([H])([N+]([H])=C([O-])C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C([O-])=[N+]([H])C([H])([H])C([O-])=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5533,"9,11-Cycloperoxy-15-Hydroperoxy-5Z,13E-Eicosadienoate",C20H31O6,-1,0,0,,NaN,NaN,,"",CE5533,,,NaN,"",,"",,,,,NaN,,,SGUKUZOVHSFKPH-BZZUCWCESA-M,"InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/p-1/b7-4-,13-12+/t15-,16+,17+,18?,19?/m1/s1",[H]OO[C@@]([H])(C(\[H])=C(/[H])[C@]1([H])C2([H])OOC([H])(C2([H])[H])[C@@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5534,"9,11-Cycloperoxy-5-Hydroperoxy-6E,14Z-Eicosadienoate",C20H31O6,-1,0,0,,NaN,NaN,,"",CE5534,,,NaN,"",,"",,,,,NaN,,,QPLJAGNIJZAPRJ-SPLBVVEISA-M,"InChI=1S/C20H32O6/c1-2-3-4-5-6-7-10-16-17(19-14-18(16)25-26-19)13-12-15(24-23)9-8-11-20(21)22/h6-7,12-13,15-19,23H,2-5,8-11,14H2,1H3,(H,21,22)/p-1/b7-6+,13-12+/t15-,16-,17-,18?,19?/m1/s1",[H]OO[C@@]([H])(C([H])=C([H])[C@@]1([H])C2([H])OOC([H])(C2([H])[H])[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5535,"9-Peroxy-5Z,7E,11Z,14Z-Eicosatetraenoate",C20H30O4,-1,0,0,,NaN,NaN,,"",CE5535,,,NaN,"",,"",,,,,NaN,,,LIYCOTUUWOESJK-OIZRIKEUSA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-10-13-16-19(24-23)17-14-11-9-12-15-18-20(21)22/h6-7,9-11,13-14,17,19,23H,2-5,8,12,15-16,18H2,1H3,(H,21,22)/p-1/b7-6-,11-9-,13-10-,17-14+",[H]OOC([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5536,"Adrenochrome",C9H9NO3,0,0,0,,5898,NaN,,"",CE5536,,,NaN,"",CE5536,"",,,MNXM40345,,NaN,,,RPHLQSHHTJORHI-UHFFFAOYSA-N,"InChI=1S/C9H9NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,13H,4H2,1H3",[H]OC1([H])C2=C([H])C(=O)C(=O)C([H])=C2N(C([H])([H])[H])C1([H])[H]
CE5537,"11-Peroxy-5Z,8Z,12E,14Z-Eicosatetraenoate",C20H30O4,-1,0,0,,NaN,NaN,,"",CE5537,,,NaN,"",,"",,,,,NaN,,,PCGWZQXAGFGRTQ-RLZWZWKOSA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-7-10-13-16-19(24-23)17-14-11-8-6-9-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/p-1/b9-6-,10-7-,14-11-,16-13+",[H]OOC([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5538,"Noradrenochrome",C8H7NO3,0,0,0,,10176277,NaN,,"",,,,NaN,"",CE5538,"",,,MNXM64900,,NaN,,,PTQNKGWWIYGAAE-UHFFFAOYSA-N,"InChI=1S/C8H7NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1,8,12H,2-3H2",[H]OC1([H])C2=C([H])C(=O)C(=O)C([H])([H])C2=NC1([H])[H]
CE5541,"Adrenochrome O-Semiquinone",C9H9NO3,-1,0,0,,10313383,NaN,,"",CE5541,,,NaN,"",CE5541,"",,,MNXM40347,,NaN,,,YNKQTALYBHMWCC-UHFFFAOYSA-M,"InChI=1S/C9H10NO3/c1-10-4-9(13)5-2-7(11)8(12)3-6(5)10/h2-3,9,12-13H,4H2,1H3/p-1",[H]OC1([H])C2=C([H])C([O])=C([O-])C([H])=C2N(C([H])([H])[H])C1([H])[H]
CE5542,"Noradrenochrome O-Semiquinone",C8H7NO3,-1,0,0,,53481587,NaN,,"",,,,NaN,"",CE5542,"",,,MNXM64901,,NaN,,,OHRTXTGCGQYCMB-UHFFFAOYSA-M,"InChI=1S/C8H8NO3/c10-6-1-4-5(2-7(6)11)9-3-8(4)12/h1-2,8-9,11-12H,3H2/p-1",[H]OC1([H])C2=C(N([H])C1([H])[H])C([H])=C([O-])C([O])=C2[H]
CE5544,"5-S-Glutathionyl-Dopachrome Hydroquinone",C19H22N4O10S,-2,0,0,,NaN,NaN,,"",CE5544,,,NaN,"",CE5544,"",,,MNXM164350,,NaN,,,OKIPDFKDQBFUGS-IEBDPFPHSA-L,"InChI=1S/C19H24N4O10S/c20-8(18(30)31)1-2-13(25)23-11(17(29)21-5-14(26)27)6-34-16-7-3-10(19(32)33)22-9(7)4-12(24)15(16)28/h4,8,10-11,22,24,28H,1-3,5-6,20H2,(H,21,29)(H,23,25)(H,26,27)(H,30,31)(H,32,33)/p-2/t8-,10-,11+/m1/s1",[H]OC(=O)C([H])([H])N=C(O[H])[C@@]([H])(N=C([O-])C([H])([H])C([H])([H])[C@@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC1=C2C(N([H])[C@@]([H])(C(=O)O[H])C2([H])[H])=C([H])C([O-])=C1O[H]
CE5545,"5-S-Glutathionyl-Aminochrome Reduced",C18H23N4O8S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5545,"",,,MNXM151428,,NaN,,,OWLBFEJNNSEXED-GXSJLCMTSA-M,"InChI=1S/C18H24N4O8S/c19-9(18(29)30)1-2-13(24)22-11(17(28)21-6-14(25)26)7-31-16-8-3-4-20-10(8)5-12(23)15(16)27/h5,9,11,20,23,27H,1-4,6-7,19H2,(H,21,28)(H,22,24)(H,25,26)(H,29,30)/p-1/t9-,11+/m0/s1",[H]OC1=C(O[H])C(SC([H])([H])[C@]([H])([N+]([H])=C([O-])C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C([O-])=[N+]([H])C([H])([H])C([O-])=O)=C2C(N([H])C([H])([H])C2([H])[H])=C1[H]
CE5546,"5-S-Glutathionyl-Adrenochrome Hydroquinone",C19H25N4O9S,-1,0,0,,NaN,NaN,,"",CE5546,,,NaN,"",CE5546,"",,,MNXM164349,,NaN,,,UMHIHIHOPWDCAG-RLBMWQAVSA-M,"InChI=1S/C19H26N4O9S/c1-23-6-12(25)15-10(23)4-11(24)16(29)17(15)33-7-9(18(30)21-5-14(27)28)22-13(26)3-2-8(20)19(31)32/h4,8-9,12,24-25,29H,2-3,5-7,20H2,1H3,(H,21,30)(H,22,26)(H,27,28)(H,31,32)/p-1/t8-,9+,12?/m1/s1",[H]OC(=O)C([H])([H])N=C(O[H])[C@@]([H])(N=C(O[H])C([H])([H])C([H])([H])[C@@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC1=C(O[H])C([O-])=C([H])C2=C1C([H])(O[H])C([H])([H])N2C([H])([H])[H]
CE5547,"5-S-Glutathionyl-Noradrenochrome Hydroquinone",C18H23N4O9S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5547,"",,,MNXM164353,,NaN,,,XTLRYYYPDRZRCW-HTDYCOQPSA-M,"InChI=1S/C18H24N4O9S/c19-7(18(30)31)1-2-12(25)22-9(17(29)21-5-13(26)27)6-32-16-14-8(20-4-11(14)24)3-10(23)15(16)28/h3,7,9,11,20,23-24,28H,1-2,4-6,19H2,(H,21,29)(H,22,25)(H,26,27)(H,30,31)/p-1/t7-,9+,11?/m1/s1",[H]OC(=O)C([H])([H])N=C(O[H])[C@@]([H])(N=C(O[H])C([H])([H])C([H])([H])[C@@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC1=C2C(N([H])C([H])([H])C2([H])O[H])=C([H])C([O-])=C1O[H]
CE5586,"Dehydrospermidine",C7H20N3,3,0,0,,23657850,NaN,,"",CE5586,CE5586,,NaN,"",CE5586,"",,,MNXM4697,,NaN,,,YAVLYBVKPXLZEQ-UXBLZVDNSA-Q,"InChI=1S/C7H17N3/c8-4-1-2-6-10-7-3-5-9/h6H,1-5,7-9H2/p+3/b10-6+",[H]\C(=[N+](\[H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
CE5588,"Deoxyhypusine",C10H25N3O2,2,217.3130035,217.179027,,122083,NaN,,"",CE5588,,,NaN,"",CE5588,"",,,MNXM49098,,NaN,82543-85-9,DTXSID20231839,PGPFBXMCOQNMJO-VIFPVBQESA-P,"InChI=1S/C10H23N3O2/c11-6-2-4-8-13-7-3-1-5-9(12)10(14)15/h9,13H,1-8,11-12H2,(H,14,15)/p+2/t9-/m0/s1",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
CE5591,"4-Oh-13-Cis-Retinal",C20H28O2,0,0,0,,NaN,NaN,,"",CE5591,,,NaN,"",CE5591,"",,,MNXM164316,,NaN,,,CYVVUYORRQQAQE-FFIIYDNGSA-N,"InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,14,19,22H,11,13H2,1-5H3/b8-6+,10-9+,15-7+,16-12-",[H]OC1([H])C(=C(C([H])=C([H])C(=C([H])C(\[H])=C(/[H])\C(=C(\[H])C([H])=O)\C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]
CE5592,"4-Oh-9-Cis-Retinal",C20H28O2,0,0,0,,NaN,NaN,,"",CE5592,,,NaN,"",CE5592,"",,,MNXM164317,,NaN,,,CYVVUYORRQQAQE-ZLDMPPPMSA-N,"InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,14,19,22H,11,13H2,1-5H3/b8-6+,10-9?,15-7-,16-12+",[H]OC1([H])C(=C(\C([H])=C(/[H])\C(=C(\[H])/C(/[H])=C(\[H])C(=C([H])C([H])=O)C([H])([H])[H])\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]
CE5593,"4-Oh-Retinal",C20H28O2,0,0,0,,14015984,NaN,,"",CE5593,,,NaN,"",CE5593,"",,,MNXM37693,,NaN,,,NCIHLRCJOBKKAL-ZBSJWCJSSA-N,"InChI=1S/C20H28O2/c1-15(7-6-8-16(2)13-14-21)9-11-18-17(3)10-12-19(22)20(18,4)5/h6-9,11,13-14,19,22H,10,12H2,1-5H3/b8-6+,11-9+,15-7+,16-13+",[H]OC1([H])C([H])([H])C([H])([H])C(=C(\C([H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])C([H])=O)\C([H])([H])[H])\C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5594,"9,13-Cis-Retinoate",C20H27O2,-1,0,0,,6419708,NaN,,"",CE5594,,,NaN,"",CE5594,"",,,MNXM118676,,NaN,,,SHGAZHPCJJPHSC-YCNIQYBTSA-M,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14+",[H]/C(=C(/[H])\C(=C(/[H])C([O-])=O)\C([H])([H])[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H]
CE5626,"Salsolinol 1-carboxylate",C11H13NO4,0,223.2252,223.0844579,,7055179,NaN,HMDB0013068,"",CE5626,CE5626,FDB029280,5412232,"",CE5626,"",,,MNXM81437,,NaN,57256-34-5,,XHGLVMDBZZZXDP-NSHDSACASA-N,"InChI=1S/C11H13NO4/c1-11(10(15)16)7-5-9(14)8(13)4-6(7)2-3-12-11/h4-5,12-14H,2-3H2,1H3,(H,15,16)/t11-/m0/s1",[H]OC1=C(O[H])C([H])=C2C(=C1[H])C([H])([H])C([H])([H])[N+]([H])([H])[C@@]2(C([O-])=O)C([H])([H])[H]
CE5627,"Salsoline-1-carboxylate",C12H15NO4,0,237.2518,237.100108,,6999659,NaN,HMDB0013067,"",CE5627,,FDB029279,5367184,"",CE5627,"",,,MNXM81436,,NaN,31758-50-6,,CJEFWISJWQNPSZ-GFCCVEGCSA-N,"InChI=1S/C12H15NO4/c1-12(11(15)16)8-6-10(17-2)9(14)5-7(8)3-4-13-12/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)/t12-/m1/s1",[H]OC1=C([H])C2=C(C([H])=C1OC([H])([H])[H])[C@@](C([O-])=O)(C([H])([H])[H])[N+]([H])([H])C([H])([H])C2([H])[H]
CE5629,"1,2-Dehydrosalsolinol",C10H11NO2,0,177.1998,177.0789786,,NaN,193796,HMDB0012490,"",CE5629,CE5629,FDB029097,17960720,"",CE5629,"",,,MNXM32113,,NaN,4602-81-7,,DWHSGRLKLUGKOU-UHFFFAOYSA-N,"InChI=1S/C10H11NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-5,12-13H,2-3H2,1H3",[H]OC1=C(O[H])C([H])=C2C(=C1[H])C(=NC([H])([H])C2([H])[H])C([H])([H])[H]
CE5643,"Peroxynitrite",NO3,-1,62.0049,61.98781787,C16845,104806,25941,HMDB0002179,"peroxynitrite",,CE5643,FDB022889,94607,"",CE5643,"Peroxynitrite",,,MNXM6378,,NaN,19059-14-4,DTXSID10172540,CMFNMSMUKZHDEY-UHFFFAOYSA-M,"InChI=1S/HNO3/c2-1-4-3/h3H/p-1",[O-]ON=O
CE5652,"4-Oxo-9-Cis-Retinal",C20H26O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PLILDISEFZJECC-ZLDMPPPMSA-N,"InChI=1S/C20H26O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,14H,11,13H2,1-5H3/b8-6+,10-9?,15-7-,16-12+",[H]C(=O)C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(/C(/[H])=C(\[H])C1=C(C(=O)C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])/C([H])([H])[H]
CE5653,"4-Oxo-9-Cis-Retinoate",C20H25O3,-1,0,0,,54518673,NaN,,"",CE5653,,,NaN,"",CE5653,"",,,MNXM163202,,NaN,,,YOFBBAJVETYSCH-UHFFFAOYSA-M,"InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-11-17-16(3)10-12-18(21)20(17,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,22,23)/p-1",[H]C(=C([H])C(=C([H])C([O-])=O)C([H])([H])[H])C([H])=C(C([H])=C([H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5654,"4-Oxo-13-Cis-Retinoate",C20H25O3,-1,0,0,,9995780,NaN,,"",CE5654,,,NaN,"",CE5654,"",,,MNXM37697,,NaN,,,YOFBBAJVETYSCH-IWRFDTMXSA-M,"InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-11-17-16(3)10-12-18(21)20(17,4)5/h6-9,11,13H,10,12H2,1-5H3,(H,22,23)/p-1/b8-6+,11-9+,14-7+,15-13-",[H]/C(=C(/[H])\C(=C(\[H])C([O-])=O)\C([H])([H])[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C1(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H]
CE5655,"13'-Hydroxy-gamma-tocopherol",C28H48O3,0,432.6789,432.3603454,,53481467,NaN,HMDB0012561,"",,,FDB029127,NaN,"",CE5655,"",,,MNXM163114,,NaN,,,QNBPVJMQPAQXML-SLGTZZLGSA-N,"InChI=1S/C28H48O3/c1-20(12-8-13-22(3)19-29)10-7-11-21(2)14-9-16-28(6)17-15-25-18-26(30)23(4)24(5)27(25)31-28/h18,20-22,29-30H,7-17,19H2,1-6H3/t20-,21+,22?,28-/m1/s1",[H]OC1=C(C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C2=C1[H])C([H])([H])[H])C([H])([H])[H]
CE5656,"Lipoyl-AMP",C18H25N5O8PS2,-1,535.532,535.0960407,C16238,23724672,55451,HMDB0059635,"",,,,26330628,"",CE5656,"",,cpd14955,MNXM2392,,NaN,,,QWEGOCJRZOKSOE-NLJBGGCZSA-M,"InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/p-1/t10?,11-,14-,15-,18-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])SSC([H])([H])C2([H])[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
CE5661,"15-Oxo-Lipoxin A4",C20H29O5,-1,0,0,,53481477,NaN,,"",,,,NaN,"",CE5661,"",,,MNXM33464,,NaN,,,KMQGFEBCBYXSPZ-DVABOXBSSA-M,"InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,18-19,22-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,13-9?,14-10+/t18-,19-/m1/s1",[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(\[H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5662,"13,14-Dihydro-15-Oxo-Lipoxin A4",C20H31O5,-1,0,0,,53481470,NaN,,"",,,,NaN,"",CE5662,"",,,MNXM33334,,NaN,,,FPRPRBFSKMFXRV-HJGGDGFVSA-M,"InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,14-10+/t18-,19-/m1/s1",[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5663,"13,14-Dihydro-Lipoxin A4",C20H33O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WRFBDEURXXFJRY-ZREXUFMBSA-N,"InChI=1S/C20H34O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,17-19,21-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t17-,18+,19-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5665,"Leukoaminochrome",C8H9NO2,0,151.1626,151.0633285,C17756,147311,NaN,HMDB0012992,"",,CE5665,FDB029236,129893,"",CE5665,"",,,MNXM9818,,NaN,29539-03-5,DTXSID80865492,VGSVNUGKHOVSPK-UHFFFAOYSA-N,"InChI=1S/C8H9NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h3-4,9-11H,1-2H2",[H]OC1=C(O[H])C([H])=C2C(N([H])C([H])([H])C2([H])[H])=C1[H]
CE5698,"1,4-Benzothiazine-O-Quinonimine",C12H11N2O5S,-1,0,0,,53481441,NaN,,"",CE5698,,,NaN,"",,"",,,,,NaN,,,NANJICKTJNNTGA-RNFRBKRXSA-M,"InChI=1S/C12H12N2O5S/c13-6(11(16)17)1-5-2-8(15)10-9(3-5)20-4-7(14-10)12(18)19/h2-3,6-7H,1,4,13H2,(H,16,17)(H,18,19)/p-1/t6-,7-/m1/s1",[H]C1=C(C([H])=C2SC([H])([H])[C@@]([H])(N=C2C1=O)C([O-])=O)C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H]
CE5700,"12-Hydroperoxyeicosatetraenoate Glyceryl Ester",C23H38O6,0,0,0,,NaN,NaN,,"",CE5700,,,NaN,"",CE5700,"",,,MNXM164054,,NaN,,,DRKQAMJEQFTELM-NRFANRHFSA-N,"InChI=1S/C23H38O6/c1-2-3-4-5-10-13-16-21(29-27)17-14-11-8-6-7-9-12-15-18-23(26)28-22(19-24)20-25/h7-11,13-14,17,21-22,24-25,27H,2-6,12,15-16,18-20H2,1H3/t21-/m0/s1",[H]OO[C@]([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])O[H])C([H])([H])O[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5708,"15-Oxo-Prostaglandin E2-Glyceryl Ester",C23H36O7,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WDMGABUYFVXRQW-WNPNRMLBSA-N,"InChI=1S/C23H36O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,18-20,22,24,26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t18?,19-,20-,22-/m0/s1",[H]OC([H])([H])C([H])(O[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@@]1([H])C(=O)C([H])([H])[C@@]([H])(O[H])[C@]1([H])C(\[H])=C(/[H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5718,"11'-Carboxy-gamma-chromanol",C25H39O4,-1,404.5827,404.2926598,,53481453,NaN,HMDB0012517,"",,,FDB029110,NaN,"",,"",,,,,NaN,,,IITULCXNOMOXAH-YYULODDRSA-N,"InChI=1S/C25H40O4/c1-17(8-6-9-18(2)11-12-23(27)28)10-7-14-25(5)15-13-21-16-22(26)19(3)20(4)24(21)29-25/h16-18,26H,6-15H2,1-5H3,(H,27,28)/t17-,18+,25+/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]1(OC2=C(C(=C(O[H])C([H])=C2C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5719,"9'-Carboxy-gamma-chromanol",C23H35O4,-1,376.5295,376.2613596,,53481536,NaN,HMDB0012868,"",,,FDB029192,NaN,"",,"",,,,,NaN,178167-77-6,,ODQOKHVJIYTOQE-NXHTTZLHSA-N,"InChI=1S/C23H36O4/c1-15(8-6-10-16(2)22(25)26)9-7-12-23(5)13-11-19-14-20(24)17(3)18(4)21(19)27-23/h14-16,24H,6-13H2,1-5H3,(H,25,26)/t15-,16+,23+/m0/s1",[H]OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]1(OC2=C(C([H])=C(O[H])C(=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]
CE5721,"7'-Carboxy-gamma-chromanol",C20H29O4,-1,334.4498,334.2144094,,53481531,NaN,HMDB0012850,"",,,FDB029187,NaN,"",,"",,,,,NaN,178167-77-6,,JFXDIXKMINYLIK-ZUOKHONESA-N,"InChI=1S/C20H30O4/c1-13(7-8-18(22)23)6-5-10-20(4)11-9-16-12-17(21)14(2)15(3)19(16)24-20/h12-13,21H,5-11H2,1-4H3,(H,22,23)/t13-,20-/m1/s1",[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]1(OC2=C(C([H])=C(O[H])C(=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]
CE5723,"5'-Carboxy-gamma-chromanol",C18H25O4,-1,306.3966,306.1831093,,53481525,NaN,HMDB0012799,"",,,FDB029178,NaN,"",,"",,,,,NaN,178167-77-6,,CNGKBUHOCIWLHJ-ADLMAVQZSA-N,"InChI=1S/C18H26O4/c1-11(17(20)21)6-5-8-18(4)9-7-14-10-15(19)12(2)13(3)16(14)22-18/h10-11,19H,5-9H2,1-4H3,(H,20,21)/t11-,18-/m1/s1",[H]OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]1(OC2=C(C([H])=C(O[H])C(=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]
CE5726,"Prostaglandin PGE2 1-glyceryl ester",C23H38O7,0,426.5436,426.2617536,,52193688,NaN,HMDB0013043,"",CE5726,,FDB029267,NaN,"",CE5726,"",,,MNXM31980,,NaN,,,RJXVYMMSQBYEHN-SDTVLRMPSA-N,"InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18+,19+,20+,22-/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@@]1([H])C(=O)C([H])([H])[C@]([H])(O[H])[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5727,"Prostaglandin Pge2 3-Glyceryl Ester",C23H38O7,0,0,0,,NaN,NaN,,"",CE5727,,,NaN,"",CE5727,"",,,MNXM168924,,NaN,,,RJXVYMMSQBYEHN-KFXKMLOZSA-N,"InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4?,13-12+/t17-,18+,19-,20-,22+/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])[C@]1([H])C(=O)C([H])([H])[C@@]([H])(O[H])[C@@]1([H])C(\[H])=C(/[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5730,"Prostaglandin Pgb2 Glyceryl Ester",C23H36O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5730,"",,,MNXM168923,,NaN,,,FHFHTYWWDZUGTL-IBGZPJMESA-N,"InChI=1S/C23H36O6/c1-2-3-6-9-19(26)14-12-18-13-15-22(27)21(18)10-7-4-5-8-11-23(28)29-20(16-24)17-25/h4,7,12,14,19-20,24-26H,2-3,5-6,8-11,13,15-17H2,1H3/t19-/m0/s1",[H]OC([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C1=C(C([H])=C([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1=O)C([H])([H])O[H]
CE5747,"N-Retinylidene-N-retinylethanolamine",C42H58NO,1,592.916,592.4518405,,NaN,71980,HMDB0060196,"",,,,NaN,"",CE5747,"",,,MNXM114152,,NaN,,,WPWFMRDPTDEJJA-FAXVYDRBSA-N,"InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15+,34-30+",[H]OC([H])([H])C([H])([H])[N+]1=C(\C([H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H])C([H])=C(\C([H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])C([H])=C1[H]
CE5752,"iso-A2E(13-cis)",C42H58NO,1,592.916,592.4518405,,NaN,NaN,HMDB0060193,"",,,,NaN,"",CE5752,"",,,MNXM156892,,NaN,,,WPWFMRDPTDEJJA-HYQJUSHRSA-N,"InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15+,34-30-",[H]OC([H])([H])C([H])([H])[N+]1=C(\C([H])=C(/C(/[H])=C(\[H])/C(/[H])=C(/C(/[H])=C(\[H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])C([H])=C(\C([H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])C([H])=C1[H]
CE5753,"Iso-A2E(11-Cis)",C42H58NO,1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5753,"",,,MNXM156891,,NaN,,,WPWFMRDPTDEJJA-ZCSIUCGVSA-N,"InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11?,22-20?,23-21-,32-14-,33-15+,34-30-",[H]OC([H])([H])C([H])([H])[N+]1=C(C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])=C(\C([H])=C(\[H])/C(/[H])=C(/C([H])=C([H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]
CE5754,"Iso-A2E(9-Cis)",C42H58NO,1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5754,"",,,MNXM156894,,NaN,,,WPWFMRDPTDEJJA-XDOBUCMVSA-N,"InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11-,22-20-,23-21?,32-14+,33-15-,34-30+",[H]OC([H])([H])C([H])([H])[N+]1=C(\C([H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C([H])=C([H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])C([H])=C(C([H])=C([H])C(\[H])=C(/C([H])=C([H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]
CE5755,"iso-A2E(9,13-di-cis)",C42H58NO,1,592.916,592.4518405,,NaN,NaN,HMDB0060195,"",,,,NaN,"",CE5755,"",,,MNXM156893,,NaN,,,WPWFMRDPTDEJJA-DYOYTVSCSA-N,"InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1/b16-10+,19-11+,22-20+,23-21?,32-14+,33-15-,34-30-",[H]OC([H])([H])C([H])([H])[N+]1=C(\C([H])=C(/C(/[H])=C(\[H])/C(/[H])=C(/C(/[H])=C(\[H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])C([H])=C(\C([H])=C(/[H])\C(\[H])=C(/C(/[H])=C(\[H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])C([H])=C1[H]
CE5756,"9-Cis-Retinoyl-Beta-D-Glucuronide",C26H35O8,-1,476.5660095,476.2410181,,5281877,NaN,,"",CE5756,,,NaN,"",CE5756,"",,,MNXM166720,,NaN,401-10-5,DTXSID40274187,MTGFYEHKPMOVNE-JZXLACIESA-M,"InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/p-1/b9-6+,12-11-,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1",[H]O[C@@]1([H])[C@]([H])(OC(=O)C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C([H])=C([H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])O[C@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@]1([H])O[H]
CE5757,"4-Oxo-9-Cis-Retinoyl-Beta-Glucuronide",C26H33O9,-1,0,0,,NaN,NaN,,"",CE5757,,,NaN,"",CE5757,"",,,MNXM151235,,NaN,,,XEIKLAKHCVSUMR-JXZJCBHFSA-M,"InChI=1S/C26H34O9/c1-14(9-11-17-16(3)10-12-18(27)26(17,4)5)7-6-8-15(2)13-19(28)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h6-9,11,13,20-23,25,29-31H,10,12H2,1-5H3,(H,32,33)/p-1/b8-6+,11-9?,14-7-,15-13+/t20-,21+,22-,23-,25-/m0/s1",[H]O[C@@]1([H])[C@]([H])(OC(=O)C([H])=C(\C([H])=C(/[H])\C(\[H])=C(/C(/[H])=C(\[H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C2(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])C([H])([H])[H])O[C@@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@@]1([H])O[H]
CE5775,"Iso-A2E(9-Cis)",C42H58NO,1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5775,"",,,MNXM168014,,NaN,,,WPWFMRDPTDEJJA-UHFFFAOYSA-N,"InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1",[H]OC([H])([H])C([H])([H])[N+]1=C([H])C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])=C1C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5776,"Iso-A2E(11-Cis)",C42H58NO,1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5776,"",,,MNXM168013,,NaN,,,WPWFMRDPTDEJJA-UHFFFAOYSA-N,"InChI=1S/C42H58NO/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3/q+1",[H]OC([H])([H])C([H])([H])[N+]1=C([H])C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])=C1C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5782,"Somatostatin",C77H108N18O19S2,2,1637.900024,1636.716656,,44291156,NaN,,"",,,,NaN,"",,"Somatostatin",DB09099,,,,NaN,38916-34-6,DTXSID8046793,NHXLMOGPVYXJNR-FMGBKAQLSA-N,"InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50+,51-,52+,53-,54-,55+,56-,57-,58+,59-,62+,63+/m0/s1",[H]OC([H])([H])[C@]1([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(C([H])([H])[H])[N+]([H])([H])[H])C([H])([H])SSC([H])([H])[C@]([H])(N([H])C1=O)C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@]([H])(O[H])C([H])([H])[H]
CE5783,"Somatostatin Fragment 3-14",C72H100N16O17S2,2,0,0,,53481604,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,TZTLCJNYBHBVBN-DZCACUQDSA-P,"InChI=1S/C72H98N16O17S2/c1-40(90)59-70(102)85-54(34-44-22-10-5-11-23-44)68(100)88-60(41(2)91)71(103)86-57(38-89)69(101)80-51(72(104)105)28-31-106-107-39-47(75)61(93)78-49(26-14-16-29-73)62(94)84-56(36-58(76)92)67(99)82-52(32-42-18-6-3-7-19-42)64(96)81-53(33-43-20-8-4-9-21-43)65(97)83-55(35-45-37-77-48-25-13-12-24-46(45)48)66(98)79-50(63(95)87-59)27-15-17-30-74/h3-13,18-25,37,40-41,47,49-57,59-60,77,89-91H,14-17,26-36,38-39,73-75H2,1-2H3,(H2,76,92)(H,78,93)(H,79,98)(H,80,101)(H,81,96)(H,82,99)(H,83,97)(H,84,94)(H,85,102)(H,86,103)(H,87,95)(H,88,100)(H,104,105)/p+2/t40?,41-,47-,49+,50+,51-,52+,53+,54+,55+,56+,57+,59?,60+/m0/s1",[H]OC([H])([H])[C@@]1([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])([N+]([H])([H])[H])C([H])([H])SSC([H])([H])C([H])([H])[C@]([H])(N([H])C1=O)C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])(O[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@@]([H])(O[H])C([H])([H])[H]
CE5786,"Kinetensin",C56H87N17O11,2,1172.404053,1171.661447,,147043,NaN,,"",,CE5786,,NaN,"",CE5786,"",,,MNXM162968,,NaN,103131-69-7,DTXSID00145667,PANUJGMSOSQAAY-HAGIGRARSA-P,"InChI=1S/C56H85N17O11/c1-6-32(4)45(57)52(81)66-33(5)46(75)67-38(15-10-22-63-55(58)59)47(76)68-39(16-11-23-64-56(60)61)48(77)71-42(28-36-29-62-30-65-36)53(82)73-24-12-17-44(73)51(80)70-41(27-35-18-20-37(74)21-19-35)49(78)69-40(26-34-13-8-7-9-14-34)50(79)72-43(54(83)84)25-31(2)3/h7-9,13-14,18-21,29-33,38-45,74H,6,10-12,15-17,22-28,57H2,1-5H3,(H,62,65)(H,66,81)(H,67,75)(H,68,76)(H,69,78)(H,70,80)(H,71,77)(H,72,79)(H,83,84)(H4,58,59,63)(H4,60,61,64)/p+2/t32-,33+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])([N+]([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C2=C([H])N=C([H])N2[H])C([H])([H])C([H])([H])C1([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
CE5787,"Kinetensin 1-3",C15H31N6O4,1,0,0,,53481564,NaN,,"",,CE5787,,NaN,"",,"",,,,,NaN,,,JXUGDUWBMKIJDC-MMWGEVLESA-O,"InChI=1S/C15H30N6O4/c1-4-8(2)11(16)13(23)20-9(3)12(22)21-10(14(24)25)6-5-7-19-15(17)18/h8-11H,4-7,16H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)(H4,17,18,19)/p+1/t8-,9-,10+,11-/m0/s1",[H]N([H])C(N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])([N+]([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([O-])=O)=[N+]([H])[H]
CE5788,"Kinetensin 1-7",C41H67N15O9,2,0,0,,53481565,NaN,,"",,CE5788,,NaN,"",CE5788,"",,,MNXM59130,,NaN,,,QMQIVQMAYCBWNH-BKRGGBFWSA-P,"InChI=1S/C41H65N15O9/c1-4-22(2)32(42)37(62)51-23(3)33(58)52-27(8-5-15-48-40(43)44)34(59)53-28(9-6-16-49-41(45)46)35(60)54-29(19-25-20-47-21-50-25)38(63)56-17-7-10-31(56)36(61)55-30(39(64)65)18-24-11-13-26(57)14-12-24/h11-14,20-23,27-32,57H,4-10,15-19,42H2,1-3H3,(H,47,50)(H,51,62)(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H,64,65)(H4,43,44,48)(H4,45,46,49)/p+2/t22-,23+,27-,28+,29+,30-,31-,32-/m1/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])([N+]([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C2=C([H])N=C([H])N2[H])C([H])([H])C([H])([H])C1([H])[H])C([O-])=O
CE5789,"Kinetensin 1-8",C50H76N16O10,2,0,0,,53481566,NaN,,"",,CE5789,,NaN,"",CE5789,"",,,MNXM59131,,NaN,,,KLNGALQMFAURPH-DCLZXSHISA-P,"InChI=1S/C50H74N16O10/c1-4-28(2)40(51)46(73)60-29(3)41(68)61-34(13-8-20-57-49(52)53)42(69)62-35(14-9-21-58-50(54)55)43(70)64-37(25-32-26-56-27-59-32)47(74)66-22-10-15-39(66)45(72)63-36(23-31-16-18-33(67)19-17-31)44(71)65-38(48(75)76)24-30-11-6-5-7-12-30/h5-7,11-12,16-19,26-29,34-40,67H,4,8-10,13-15,20-25,51H2,1-3H3,(H,56,59)(H,60,73)(H,61,68)(H,62,69)(H,63,72)(H,64,70)(H,65,71)(H,75,76)(H4,52,53,57)(H4,54,55,58)/p+2/t28-,29+,34-,35+,36+,37-,38-,39+,40-/m1/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])([N+]([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C2=C([H])N([H])C([H])=N2)C([H])([H])C([H])([H])C1([H])[H])C(=O)N([H])[C@@]([H])(C([O-])=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
CE5791,"Kinetensin 4-8",C35H47N10O7,1,0,0,,53481568,NaN,,"",,CE5791,,NaN,"",,"",,,,,NaN,,,CCANVONJZOLPKG-MJXUZWQSSA-O,"InChI=1S/C35H46N10O7/c36-25(8-4-14-40-35(37)38)30(47)43-27(18-23-19-39-20-41-23)33(50)45-15-5-9-29(45)32(49)42-26(16-22-10-12-24(46)13-11-22)31(48)44-28(34(51)52)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,19-20,25-29,46H,4-5,8-9,14-18,36H2,(H,39,41)(H,42,49)(H,43,47)(H,44,48)(H,51,52)(H4,37,38,40)/p+1/t25-,26-,27+,28+,29-/m1/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])([N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C2=C([H])N([H])C([H])=N2)C([H])([H])C([H])([H])C1([H])[H])C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
CE5794,"Neuromedin B",C52H74N15O12S,1,0,0,,53481579,NaN,,"",,,,NaN,"",CE5794,"",,,MNXM165012,,NaN,,,YPFNACALNKVZNK-ICQOWDAWSA-O,"InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/p+1/t28-,29-,35+,36+,37-,38-,39+,40-,44+/m1/s1",[H]O[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])[N+]([H])([H])[H])C([H])([H])C([O-])=[N+]([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H])C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C([O-])=[N+]([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])N([H])C([H])=N1
CE5795,"Neuromedin B (1-3)",C12H22N4O5,0,302.3269,302.1590198,,53481577,NaN,HMDB0013016,"",,,FDB029244,NaN,"",CE5795,"",,,MNXM64493,,NaN,,,JVWPPCWUDRJGAE-JGVFFNPUSA-N,"InChI=1S/C12H22N4O5/c1-6(2)3-8(12(20)21)16-11(19)7(4-9(14)17)15-10(18)5-13/h6-8H,3-5,13H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/t7-,8+/m0/s1",[H]N(C(=O)C([H])([H])[N+]([H])([H])[H])[C@]([H])(C(=O)N([H])[C@@]([H])(C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([O-])=[N+]([H])[H]
CE5796,"Neuromedin B (4-10)",C40H54N11O8S,1,0,0,,53481578,NaN,,"",,,,NaN,"",CE5796,"",,,MNXM64494,,NaN,,,MVOFLIKDVHKCBK-FVNKCRITSA-O,"InChI=1S/C40H53N11O8S/c1-22(47-37(56)28(41)16-25-18-44-29-12-8-7-11-27(25)29)36(55)51-34(23(2)52)40(59)45-20-33(53)48-32(17-26-19-43-21-46-26)39(58)50-31(15-24-9-5-4-6-10-24)38(57)49-30(35(42)54)13-14-60-3/h4-12,18-19,21-23,28,30-32,34,44,52H,13-17,20,41H2,1-3H3,(H2,42,54)(H,43,46)(H,45,59)(H,47,56)(H,48,53)(H,49,57)(H,50,58)(H,51,55)/p+1/t22-,23-,28-,30-,31+,32-,34-/m1/s1",[H]O[C@]([H])(C([H])([H])[H])[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])([N+]([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H])C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C([O-])=[N+]([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])N([H])C([H])=N1
CE5797,"Neuromedin N",C32H51N5O7,0,617.7766,617.378849,,53481583,NaN,HMDB0013022,"",,CE5797,FDB029250,NaN,"",CE5797,"neuromedin_N",,,MNXM64499,,NaN,102577-25-3,DTXSID20145280,NSLIVCMCAULZET-WFJLUAAKSA-N,"InChI=1S/C32H51N5O7/c1-7-19(5)26(33)31(42)37-15-9-10-25(37)29(40)34-23(17-21-11-13-22(38)14-12-21)28(39)36-27(20(6)8-2)30(41)35-24(32(43)44)16-18(3)4/h11-14,18-20,23-27,38H,7-10,15-17,33H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)(H,43,44)/t19-,20-,23+,24+,25+,26-,27-/m1/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@]([H])([N+]([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
CE5798,"Neuromedin N (1-4)",C26H40N4O6,0,504.619,504.294785,,53481582,NaN,HMDB0013021,"",,CE5798,FDB029249,NaN,"",CE5798,"",,,MNXM64500,,NaN,,,SKGLAZSLOGYCCA-PEFXOJROSA-N,"InChI=1S/C26H40N4O6/c1-5-15(3)21(27)25(34)30-13-7-8-20(30)24(33)28-19(14-17-9-11-18(31)12-10-17)23(32)29-22(26(35)36)16(4)6-2/h9-12,15-16,19-22,31H,5-8,13-14,27H2,1-4H3,(H,28,33)(H,29,32)(H,35,36)/t15-,16-,19+,20+,21-,22-/m1/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@]([H])([N+]([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C(=O)N([H])[C@@]([H])(C([O-])=O)[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
CE5799,"Glycinamide",C2H7N2O,1,74.08300018,74.04801282,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,598-41-4,DTXSID1060508,BEBCJVAWIBVWNZ-UHFFFAOYSA-N,"",
CE5800,"Oxytocin-1-8",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
CE5815,"20-Hydroxy-5S-Hydroxyeicosatetraenoic Acid",C20H31O4,-1,0,0,,NaN,NaN,,"",CE5815,,,NaN,"",CE5815,"",,,MNXM164163,,NaN,,,IWYJGYZCHKEPCK-IBGZPJMESA-M,"InChI=1S/C20H32O4/c21-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19(22)16-14-17-20(23)24/h2-5,8,10,12,15,19,21-22H,1,6-7,9,11,13-14,16-18H2,(H,23,24)/p-1/t19-/m0/s1",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])=C([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5820,"Histidyl-Prolinamide",C11H18N5O2,1,0,0,,NaN,NaN,,"",CE5820,,,NaN,"",CE5820,"",,,MNXM167922,,NaN,,,BVQMQRWLLWQCLL-IENPIDJESA-O,"InChI=1S/C11H17N5O2/c12-8(4-7-5-14-6-15-7)11(18)16-3-1-2-9(16)10(13)17/h5-6,8-9H,1-4,12H2,(H2,13,17)(H,14,15)/p+1/t8-,9?/m0/s1",[H]N([H])C(=O)C1([H])N(C(=O)[C@@]([H])([N+]([H])([H])[H])C([H])([H])C2=C([H])N([H])C([H])=N2)C([H])([H])C([H])([H])C1([H])[H]
CE5828,"5,9,11-Trihydroxyprosta-6E,14Z-Dien-1-Oate",C20H33O5,-1,0,0,,NaN,NaN,,"",CE5828,,,NaN,"",,"",,,,,NaN,,,RZCPXIZGLPAGEV-BKWJPWGNSA-M,"InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/p-1/b7-6-,13-12+/t15?,16-,17-,18?,19?/m1/s1",[H]OC([H])(C([H])=C([H])[C@@]1([H])C([H])(O[H])C([H])([H])C([H])(O[H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5829,"5-Ht-Moduline",C18H34N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5829,"",,,MNXM166552,,NaN,,,IMIVWAUMTAIVPJ-MQYQWHSLSA-N,"InChI=1S/C18H34N4O6/c1-9(2)6-12(19)16(25)22-14(8-23)17(26)20-11(5)15(24)21-13(18(27)28)7-10(3)4/h9-14,23H,6-8,19H2,1-5H3,(H,20,26)(H,21,24)(H,22,25)(H,27,28)/t11-,12-,13+,14+/m1/s1",[H]OC(=O)[C@@]([H])(N=C(O[H])[C@]([H])(N=C(O[H])[C@@]([H])(N=C(O[H])[C@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
CE5835,"8Alpha-Hydroxytocopherone",C29H50O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5835,"",,,MNXM166711,,NaN,,,RGHRSULFYHBXJZ-CBKONRTBSA-N,"InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-28(8)19-17-26-24(6)27(30)23(5)25(7)29(26,31)32-28/h20-22,31H,9-19H2,1-8H3/t21-,22-,28+,29?/m0/s1",[H]OC12O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1=C(C(=O)C(=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5837,"7,8-Epoxy-8Alpha-Hydroperoxytocopherone",C29H50O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5837,"",,,MNXM166652,,NaN,,,VVOOFISPFGUBEC-ILCUQXGXSA-N,"InChI=1S/C29H50O5/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-26(6)19-17-24-23(5)25(30)27(7)28(8,33-27)29(24,32-26)34-31/h20-22,31H,9-19H2,1-8H3/t21-,22-,26?,27?,28?,29-/m0/s1",[H]OO[C@@]12OC(C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1=C(C(=O)C1(OC21C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5838,"5,6-Epoxy-Alpha-Tocopheryl Quinone",C29H50O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5838,"",,,MNXM166522,,NaN,,,XKMXNXGDIBTSKJ-MSJFMHLMSA-N,"InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-27(6,32)19-17-24-23(5)25(30)28(7)29(8,33-28)26(24)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,27+,28?,29?/m0/s1",[H]O[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])C1=C(C(=O)C2(OC2(C1=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
CE5839,"4Alpha,5-Epoxy-8Alpha-Hydroperoxytocopherone",C29H50O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5839,"",,,MNXM166480,,NaN,,,FTDAVYLKBDZWCU-DGCSJVOTSA-N,"InChI=1S/C29H50O5/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-26(7)18-19-28-27(8,33-28)25(30)23(5)24(6)29(28,32-26)34-31/h20-22,31H,9-19H2,1-8H3/t21-,22-,26?,27?,28?,29?/m0/s1",[H]OOC12OC(C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C11OC1(C(=O)C(=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5840,"2,3-Epoxy-Alpha-Tocopheryl Quinone",C29H50O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5840,"",,,MNXM165601,,NaN,,,HVYBSPVYLDVWGS-MSJFMHLMSA-N,"InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(7,32)18-19-29-26(31)24(6)23(5)25(30)28(29,8)33-29/h20-22,32H,9-19H2,1-8H3/t21-,22-,27+,28?,29?/m0/s1",[H]O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C12OC1(C(=O)C(=C(C2=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5842,"13'-Hydroxy-alpha-tocopherol",C29H50O3,0,446.7055,446.3759955,,53481465,84962,HMDB0012559,"",CE5842,,FDB029125,NaN,"CPD-11960",CE5842,"",,,MNXM9688,,NaN,,,URYLCCKXLNXSRS-XIRVVSDESA-N,"InChI=1S/C29H50O3/c1-20(13-9-14-22(3)19-30)11-8-12-21(2)15-10-17-29(7)18-16-26-25(6)27(31)23(4)24(5)28(26)32-29/h20-22,30-31H,8-19H2,1-7H3/t20-,21+,22?,29+/m0/s1",[H]OC1=C(C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C2=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5843,"13'-Carboxy-Alpha-Tocopherol",C29H47O4,-1,0,0,,53481461,NaN,,"",CE5843,,,NaN,"",CE5843,"",,,MNXM33313,,NaN,,,NJIUWSABAIXPGI-AXTKCOKSSA-M,"InChI=1S/C29H48O4/c1-19(13-9-15-21(3)28(31)32)11-8-12-20(2)14-10-17-29(7)18-16-25-24(6)26(30)22(4)23(5)27(25)33-29/h19-21,30H,8-18H2,1-7H3,(H,31,32)/p-1/t19-,20+,21?,29+/m1/s1",[H]OC1=C(C(=C2O[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([O-])=O)C([H])([H])[H])C([H])([H])C([H])([H])C2=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5844,"7'-Carboxy-alpha-chromanol",C21H31O4,-1,348.4764,348.2300595,,53481529,NaN,HMDB0012848,"",,,FDB029185,NaN,"",,"",,,,,NaN,,,RXYXCDMLSTZSRY-QUXALOBESA-N,"InChI=1S/C21H32O4/c1-13(8-9-18(22)23)7-6-11-21(5)12-10-17-16(4)19(24)14(2)15(3)20(17)25-21/h13,24H,6-12H2,1-5H3,(H,22,23)/t13?,21-/m1/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]1(OC2=C(C(=C(O[H])C(=C2C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5845,"5-Carboxy-Alpha-Chromanol",C19H27O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,QWPNLVBAEZJBMI-IMFVZPHKSA-M,"InChI=1S/C19H28O4/c1-11(18(21)22)7-6-9-19(5)10-8-15-14(4)16(20)12(2)13(3)17(15)23-19/h11,20H,6-10H2,1-5H3,(H,21,22)/p-1/t11?,19-/m1/s1",[H]OC1=C(C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])C([H])(C([O-])=O)C([H])([H])[H])C([H])([H])C([H])([H])C2=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5846,"11'-Carboxy-gamma-tocotrienol",C25H35O4,-1,400.5509,400.2613596,,53481454,NaN,HMDB0012518,"",,,FDB029111,NaN,"",,"",,,,,NaN,,,QRIWRFHSVDRBRJ-LNRRRGPJSA-N,"InChI=1S/C25H36O4/c1-17(8-6-9-18(2)11-12-23(27)28)10-7-14-25(5)15-13-21-16-22(26)19(3)20(4)24(21)29-25/h9-10,16,26H,6-8,11-15H2,1-5H3,(H,27,28)/b17-10+,18-9+/t25-/m1/s1",[H]OC(=O)C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])[C@]1(OC2=C(C(=C(O[H])C([H])=C2C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
CE5847,"9'-Carboxy-gamma-tocotrienol",C23H31O4,-1,372.4978,372.2300595,,53481537,NaN,HMDB0012869,"",,,FDB029193,NaN,"",,"",,,,,NaN,17-15-2,,QSRURDPJEKTSFH-ODPFLYRHSA-N,"InChI=1S/C23H32O4/c1-15(8-6-10-16(2)22(25)26)9-7-12-23(5)13-11-19-14-20(24)17(3)18(4)21(19)27-23/h9-10,14,24H,6-8,11-13H2,1-5H3,(H,25,26)/b15-9+,16-10+/t23-/m1/s1",[H]OC(=O)C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])[C@]1(OC2=C(C([H])=C(O[H])C(=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
CE5848,"7'-Carboxy-gamma-tocotrienol",C20H27O4,-1,332.4339,332.1987594,,53481532,NaN,HMDB0012851,"",,,FDB029188,NaN,"",,"",,,,,NaN,178167-77-6,,NECINJBBPZOJSN-QARGNGGGSA-N,"InChI=1S/C20H28O4/c1-13(7-8-18(22)23)6-5-10-20(4)11-9-16-12-17(21)14(2)15(3)19(16)24-20/h6,12,21H,5,7-11H2,1-4H3,(H,22,23)/b13-6+/t20-/m1/s1",[H]OC(=O)C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])[C@]1(OC2=C(C([H])=C(O[H])C(=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H])\C([H])([H])[H]
CE5849,"7'-Carboxy-alpha-tocotrienol",C21H29O4,-1,346.4605,346.2144094,,53481530,NaN,HMDB0012849,"",,,FDB029186,NaN,"",,"",,,,,NaN,,,UZOSSXSASNQFOI-FAKWYAOSSA-N,"InChI=1S/C21H30O4/c1-13(8-9-18(22)23)7-6-11-21(5)12-10-17-16(4)19(24)14(2)15(3)20(17)25-21/h7,24H,6,8-12H2,1-5H3,(H,22,23)/b13-7+/t21-/m1/s1",[H]OC(=O)C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])[C@]1(OC2=C(C(=C(O[H])C(=C2C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H]
CE5850,"11'-Carboxy-alpha-tocotrienol",C26H37O4,-1,414.5775,414.2770097,,53481452,NaN,HMDB0012516,"",,,FDB029109,NaN,"",,"",,,,,NaN,,,LAVCYAUSHCEKED-KYVGBUAPSA-N,"InChI=1S/C26H38O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h10-11,29H,7-9,12-16H2,1-6H3,(H,27,28)/b17-11+,18-10+/t26-/m1/s1",[H]OC(=O)C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])[C@]1(OC2=C(C(=C(O[H])C(=C2C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
CE5851,"9'-Carboxy-alpha-tocotrienol",C24H33O4,-1,386.5244,386.2457096,,53481535,NaN,HMDB0012867,"",,,FDB029191,NaN,"",,"",,,,,NaN,,,MEZYOZBFEXYIKB-ASKDMKCJSA-N,"InChI=1S/C24H34O4/c1-15(9-7-11-16(2)23(26)27)10-8-13-24(6)14-12-20-19(5)21(25)17(3)18(4)22(20)28-24/h10-11,25H,7-9,12-14H2,1-6H3,(H,26,27)/b15-10+,16-11+/t24-/m1/s1",[H]OC(=O)C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])[C@]1(OC2=C(C(=C(O[H])C(=C2C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
CE5853,"Alpha-Cehc-Glucuronide",C22H29O10,-1,0,0,,NaN,NaN,,"",,CE5853,,NaN,"",CE5853,"",,,MNXM15963,,NaN,,,ZYZYJRHWJQUARI-DRLIGIOESA-M,"InChI=1S/C22H30O10/c1-9-10(2)18-12(11(3)14(9)24)5-7-22(4,32-18)8-6-13(23)30-21-17(27)15(25)16(26)19(31-21)20(28)29/h15-17,19,21,24-27H,5-8H2,1-4H3,(H,28,29)/p-1/t15-,16+,17-,19-,21+,22?/m1/s1",[H]OC(=O)[C@]1([H])O[C@]([H])(OC(=O)C([H])([H])C([H])([H])C2(OC3=C(C(=C([O-])C(=C3C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H]
CE5854,"Gama-Cehc-Glucuronide",C21H27O10,-1,0,0,,NaN,NaN,,"",,CE5854,,NaN,"",CE5854,"",,,MNXM163393,,NaN,,,WUOKWMDSDKXAQY-PKENLYCVSA-M,"InChI=1S/C21H28O10/c1-9-10(2)17-11(8-12(9)22)4-6-21(3,31-17)7-5-13(23)29-20-16(26)14(24)15(25)18(30-20)19(27)28/h8,14-16,18,20,22,24-26H,4-7H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,18-,20+,21?/m1/s1",[H]OC(=O)[C@]1([H])O[C@]([H])(OC(=O)C([H])([H])C([H])([H])C2(OC3=C(C([H])=C([O-])C(=C3C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H]
CE5855,"11'-Carboxy-alpha-chromanol",C26H41O4,-1,418.6093,418.3083098,,53481451,NaN,HMDB0012515,"",,,FDB029108,NaN,"",,"",,,,,NaN,,,FKTCHXAVPYGOSM-CUAXAMRHSA-N,"InChI=1S/C26H42O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h17-18,29H,7-16H2,1-6H3,(H,27,28)/t17-,18+,26+/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]1(OC2=C(C(=C(O[H])C(=C2C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5856,"9'-Carboxy-alpha-chromanol",C24H37O4,-1,390.5561,390.2770097,,53481534,NaN,HMDB0012866,"",,,FDB029190,NaN,"",,"",,,,,NaN,,,CUGVBZDXUTZXJO-GCIQOJCMSA-N,"InChI=1S/C24H38O4/c1-15(9-7-11-16(2)23(26)27)10-8-13-24(6)14-12-20-19(5)21(25)17(3)18(4)22(20)28-24/h15-16,25H,7-14H2,1-6H3,(H,26,27)/t15-,16?,24-/m0/s1",[H]OC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]1(OC2=C(C(=C(O[H])C(=C2C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]
CE5860,"N-Acetyl-5-methoxykynuramine",C12H16N2O3,0,236.271,236.1160924,,390658,NaN,HMDB0062497,"",CE5860,,,NaN,"CPD-12023",CE5860,"",,,MNXM19566,,NaN,,,RJQIZOKNUKRKTP-UHFFFAOYSA-N,"InChI=1S/C12H16N2O3/c1-8(15)14-6-5-12(16)10-7-9(17-2)3-4-11(10)13/h3-4,7H,5-6,13H2,1-2H3,(H,14,15)",[H]N([H])C1=C(C([H])=C(OC([H])([H])[H])C([H])=C1[H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H]
CE5865,"L-Leucyl-L-Serine",C9H18N2O4,0,0,0,,40489070,NaN,,"",,,,NaN,"",CE5865,"",,,MNXM127276,,NaN,,,XGDCYUQSFDQISZ-RQJHMYQMSA-N,"InChI=1S/C9H18N2O4/c1-5(2)3-6(10)8(13)11-7(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t6-,7+/m1/s1",[H]OC([H])([H])[C@]([H])(N([H])C(=O)[C@]([H])([N+]([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([O-])=O
CE5866,"L-Alanyl-L-Leucine",C9H18N2O3,0,0,0,,6992388,NaN,,"",,,,NaN,"",CE5866,"",,,MNXM15786,,NaN,,,RDIKFPRVLJLMER-RQJHMYQMSA-N,"InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7+/m1/s1",[H]N(C(=O)[C@@]([H])(C([H])([H])[H])[N+]([H])([H])[H])[C@]([H])(C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
CE5867,"N-Acetyl-Seryl-Aspartyl-Lysyl-Proline",C20H32N5O9,-1,0,0,,14181658,NaN,,"",,CE5867,,NaN,"",CE5867,"",,,MNXM163855,,NaN,,,HJDRXEQUFWLOGJ-XGUBFFRZSA-M,"InChI=1S/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)/p-1/t12-,13+,14-,15-/m0/s1",[H]OC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C([O-])=O
CE5868,"N-Acetyl-Seryl-Aspartate",C9H12N2O7,-2,0,0,,NaN,NaN,,"",,CE5868,,NaN,"",CE5868,"",,,MNXM42,,NaN,,,GFPWFSOXDSNMDC-RITPCOANSA-L,"InChI=1S/C9H14N2O7/c1-4(13)10-6(3-12)8(16)11-5(9(17)18)2-7(14)15/h5-6,12H,2-3H2,1H3,(H,10,13)(H,11,16)(H,14,15)(H,17,18)/p-2/t5-,6+/m1/s1",[H]OC(=O)[C@]([H])(N=C(O[H])[C@@]([H])(N=C([O-])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([O-])=O
CE5869,"Lysyl-Proline",C11H22N3O3,1,0,0,,NaN,NaN,,"",,CE5869,,NaN,"",CE5869,"",,,MNXM19120,,NaN,,,AIXUQKMMBQJZCU-UHFFFAOYSA-O,"InChI=1S/C11H21N3O3/c12-6-2-1-4-8(13)10(15)14-7-3-5-9(14)11(16)17/h8-9H,1-7,12-13H2,(H,16,17)/p+1",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])C1([H])C([O-])=O)[N+]([H])([H])[H]
CE5875,"2-Methylglutaconyl Coenzyme A",C27H37N7O19P3S,-5,0,0,,NaN,NaN,,"",CE5875,,,NaN,"",CE5875,"",,,MNXM164152,,NaN,,,CDVNWVJDESFYAB-OSLWTUCKSA-I,"InChI=1S/C27H42N7O19P3S/c1-14(4-5-17(36)37)26(41)57-9-8-29-16(35)6-7-30-24(40)21(39)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-20(52-54(42,43)44)19(38)25(51-15)34-13-33-18-22(28)31-12-32-23(18)34/h4,12-13,15,19-21,25,38-39H,5-11H2,1-3H3,(H,29,35)(H,30,40)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-5/b14-4+/t15?,19?,20?,21?,25-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(=C(/[H])C([H])([H])C([O-])=O)\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5898,"Pentyl Radical",C5H11,0,0,0,,123167,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BFKVXNPJXXJUGQ-UHFFFAOYSA-N,"InChI=1S/C5H11/c1-3-5-4-2/h1,3-5H2,2H3",[H][C]([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5920,"13-Oxo-9Z,11E-Tridecadienoate",C13H19O3,-1,0,0,,54469261,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XHDHWGKEDVWKAN-UHFFFAOYSA-M,"InChI=1S/C13H20O3/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h4,6,8,10,12H,1-3,5,7,9,11H2,(H,15,16)/p-1",[H]C(=O)C([H])=C([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5921,"Octanoate Radical",C8H15O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SZEXAAJOCGUGDC-UHFFFAOYSA-N,"InChI=1S/C8H15O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O])=O
CE5922,"12,13-Epoxy-9-Hydroperoxy-10E-Octadecenoate",C18H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SZMWZFAMDRNPCL-BUHFOSPRSA-M,"InChI=1S/C18H32O5/c1-2-3-7-11-16-17(22-16)14-13-15(23-21)10-8-5-4-6-9-12-18(19)20/h13-17,21H,2-12H2,1H3,(H,19,20)/p-1/b14-13+",[H]OOC([H])(C(\[H])=C(/[H])C1([H])OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5924,"9,11,15-Trihydroxyprosta-5Z,13E-Dien-1-Oate",C20H33O5,-1,354.4869995,354.2406242,,5283078,NaN,,"",,,,NaN,"",,"",,,,,NaN,551-11-1,DTXSID9022946,PXGPLTODNUVGFL-YNNPMVKQSA-M,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5925,"12-Peroxy-5Z,8Z,10E,14Z-Eicosatetraenoate",C20H30O4,-1,0,0,,NaN,NaN,,"",CE5925,,,NaN,"",,"",,,,,NaN,,,ZIOZYRSDNLNNNJ-GIDGYGAVSA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)/p-1/b9-7-,11-8?,13-10+,17-14-",[H]OOC([H])(C([H])=C([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5926,"11,15-Cyclo-12,14-Cycloperoxy-8-Hydroperoxy-5Z,9E-Eicosadienoic",C20H31O6,-1,0,0,,NaN,NaN,,"",CE5926,,,NaN,"",,"",,,,,NaN,,,IWMASUQIBFLUFD-HHDBOTMESA-M,"InChI=1S/C20H32O6/c1-2-3-6-10-16-17(19-14-18(16)25-26-19)13-12-15(24-23)9-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/p-1/b7-4-,13-12+/t15?,16-,17-,18?,19?/m1/s1",[H]OOC([H])(C(\[H])=C(/[H])[C@@]1([H])C2([H])OOC([H])(C2([H])[H])[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5928,"8-Peroxy-5Z,9E,11Z,14Z-Eicosatetraenoate",C20H30O4,-1,0,0,,NaN,NaN,,"",CE5928,,,NaN,"",,"",,,,,NaN,,,QQUFCXFFOZDXLA-HEJOTXCHSA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,14-11-,16-13+",[H]OOC([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5929,"11,15-Cyclo-8,12,14-Trihydroxy-(5Z,9E)-Eicosadienoic Acid",C20H33O5,-1,0,0,,NaN,NaN,,"",CE5929,,,NaN,"",,"",,,,,NaN,,,MZYZWZXTHYCVHQ-HHDBOTMESA-M,"InChI=1S/C20H34O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4-,13-12+/t15?,16-,17-,18?,19?/m1/s1",[H]OC([H])(C(\[H])=C(/[H])[C@@]1([H])C([H])(O[H])C([H])([H])C([H])(O[H])[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5930,"5,9-Cyclo-6,8-Cycloperoxy-12-Hydroperoxy-(10E,14Z)-Eicosadienoic Acid",C20H31O6,-1,0,0,,NaN,NaN,,"",CE5930,,,NaN,"",,"",,,,,NaN,,,KKEUQYWFAZBZHT-AJCGPCGUSA-M,"InChI=1S/C20H32O6/c1-2-3-4-5-6-7-9-15(24-23)12-13-17-16(10-8-11-20(21)22)18-14-19(17)26-25-18/h6-7,12-13,15-19,23H,2-5,8-11,14H2,1H3,(H,21,22)/p-1/b7-6-,13-12+/t15?,16-,17-,18?,19?/m0/s1",[H]OOC([H])(C(\[H])=C(/[H])[C@]1([H])C2([H])OOC([H])(C2([H])[H])[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5931,"5,9-Cyclo-6,8,12-Trihydroxy-(10E,14Z)-Eicosadienoic Acid",C20H33O5,-1,0,0,,NaN,NaN,,"",CE5931,,,NaN,"",,"",,,,,NaN,,,ZOCFIYOANZRNDX-AJCGPCGUSA-M,"InChI=1S/C20H34O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/p-1/b7-6-,13-12+/t15?,16-,17-,18?,19?/m0/s1",[H]OC([H])(C(\[H])=C(/[H])[C@]1([H])C([H])(O[H])C([H])([H])C([H])(O[H])[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE5932,"13,14-Epoxy-Retinol",C20H30O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE5932,"",,,MNXM164058,,NaN,,,HQOAEUUDHIWDFP-HYGPETPISA-N,"InChI=1S/C20H30O2/c1-15(8-6-13-20(5)18(14-21)22-20)10-11-17-16(2)9-7-12-19(17,3)4/h6,8,10-11,13,18,21H,7,9,12,14H2,1-5H3/b11-10?,13-6+,15-8-",[H]OC([H])([H])C1([H])OC1(\C([H])=C(/[H])C([H])=C(\C([H])=C(/[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5934,"3(R)-Hydroxy-Pristanoyl Coenzyme A",C40H68N7O18P3S,-4,0,0,,NaN,NaN,,"",,CE5934,,NaN,"",,"",,,,,NaN,,,OQWHTSXXBMVROE-DAVMWLSNSA-J,"InChI=1S/C40H72N7O18P3S/c1-24(2)10-8-11-25(3)12-9-13-26(4)14-15-28(48)27(5)39(53)69-19-18-42-30(49)16-17-43-37(52)34(51)40(6,7)21-62-68(59,60)65-67(57,58)61-20-29-33(64-66(54,55)56)32(50)38(63-29)47-23-46-31-35(41)44-22-45-36(31)47/h22-29,32-34,38,48,50-51H,8-21H2,1-7H3,(H,42,49)(H,43,52)(H,57,58)(H,59,60)(H2,41,44,45)(H2,54,55,56)/p-4/t25?,26?,27?,28?,29?,32?,33?,34?,38-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])(O[H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5935,"(2S,6R,10R)-Trimethyl-hendecanoyl-CoA",C35H58N7O17P3S,-4,973.858,973.2822737,,53481419,NaN,HMDB0012471,"",CE5935,,FDB029081,NaN,"CPD-9439",,"",,,,,NaN,,,QCNISQOYPUIJJO-GUQQFEKDSA-J,"InChI=1S/C35H62N7O17P3S/c1-21(2)9-7-10-22(3)11-8-12-23(4)34(47)63-16-15-37-25(43)13-14-38-32(46)29(45)35(5,6)18-56-62(53,54)59-61(51,52)55-17-24-28(58-60(48,49)50)27(44)33(57-24)42-20-41-26-30(36)39-19-40-31(26)42/h19-24,27-29,33,44-45H,7-18H2,1-6H3,(H,37,43)(H,38,46)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/t22-,23-,24+,27-,28-,29?,33+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE5936,"(2R,6R,10R)-Trimethyl-Hendecanoyl Coenzyme A",C35H58N7O17P3S,-4,0,0,,NaN,NaN,,"",CE5936,,,NaN,"",,"",,,,,NaN,,,QCNISQOYPUIJJO-JDIHXJMWSA-J,"InChI=1S/C35H62N7O17P3S/c1-21(2)9-7-10-22(3)11-8-12-23(4)34(47)63-16-15-37-25(43)13-14-38-32(46)29(45)35(5,6)18-56-62(53,54)59-61(51,52)55-17-24-28(58-60(48,49)50)27(44)33(57-24)42-20-41-26-30(36)39-19-40-31(26)42/h19-24,27-29,33,44-45H,7-18H2,1-6H3,(H,37,43)(H,38,46)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/t22?,23?,24?,27?,28?,29?,33-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5938,"(4R,8R,12R)-Trimethyl-2E-tridecenoyl-CoA",C37H60N7O17P3S,-4,999.895,999.2979238,,53481434,NaN,HMDB0012480,"",CE5938,,FDB029089,NaN,"CPD-10140",,"",,,,,NaN,,,XDRCVDXWYZRMDN-BFEXNXLWSA-J,"InChI=1S/C37H64N7O17P3S/c1-23(2)9-7-10-24(3)11-8-12-25(4)13-14-28(46)65-18-17-39-27(45)15-16-40-35(49)32(48)37(5,6)20-58-64(55,56)61-63(53,54)57-19-26-31(60-62(50,51)52)30(47)36(59-26)44-22-43-29-33(38)41-21-42-34(29)44/h13-14,21-26,30-32,36,47-48H,7-12,15-20H2,1-6H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b14-13+/t24-,25-,26+,30-,31-,32?,36+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE5939,"3-Oxo-(4R,8R,12R)-Trimethyl-Tridecanoyl Coenzyme A",C37H60N7O18P3S,-4,0,0,,NaN,NaN,,"",CE5939,,,NaN,"",,"",,,,,NaN,,,KWSORACHQGPYFT-GVFMIWBJSA-J,"InChI=1S/C37H64N7O18P3S/c1-22(2)9-7-10-23(3)11-8-12-24(4)25(45)17-28(47)66-16-15-39-27(46)13-14-40-35(50)32(49)37(5,6)19-59-65(56,57)62-64(54,55)58-18-26-31(61-63(51,52)53)30(48)36(60-26)44-21-43-29-33(38)41-20-42-34(29)44/h20-24,26,30-32,36,48-49H,7-19H2,1-6H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t23-,24-,26-,30+,31+,32?,36-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@]1([H])O[C@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
CE5940,"3(R)-Hydroxy-(4R,8R,12R)-Trimethyl-Tridecanoyl Coenzyme A",C37H62N7O18P3S,-4,0,0,,NaN,NaN,,"",CE5940,,,NaN,"",,"",,,,,NaN,,,QPPLWJJYCYBSDD-BFZWXXFQSA-J,"InChI=1S/C37H66N7O18P3S/c1-22(2)9-7-10-23(3)11-8-12-24(4)25(45)17-28(47)66-16-15-39-27(46)13-14-40-35(50)32(49)37(5,6)19-59-65(56,57)62-64(54,55)58-18-26-31(61-63(51,52)53)30(48)36(60-26)44-21-43-29-33(38)41-20-42-34(29)44/h20-26,30-32,36,45,48-49H,7-19H2,1-6H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t23?,24?,25?,26?,30?,31?,32?,36-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5941,"(2S,6R,10R)-Trimethyl-2E-hendecenoyl-CoA",C35H56N7O17P3S,-4,971.842,971.2666236,,53481417,NaN,HMDB0012470,"",CE5941,,FDB029080,NaN,"CPD-9439",,"",,,,,NaN,,,IBMCVYHEOHFMLP-SDDAOAITSA-J,"InChI=1S/C35H60N7O17P3S/c1-21(2)9-7-10-22(3)11-8-12-23(4)34(47)63-16-15-37-25(43)13-14-38-32(46)29(45)35(5,6)18-56-62(53,54)59-61(51,52)55-17-24-28(58-60(48,49)50)27(44)33(57-24)42-20-41-26-30(36)39-19-40-31(26)42/h12,19-22,24,27-29,33,44-45H,7-11,13-18H2,1-6H3,(H,37,43)(H,38,46)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b23-12+/t22-,24+,27-,28-,29?,33+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(=C(/[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE5942,"3-Oxo-(2S,6R,10R)-Trimethyl-Hendecanoyl Coenzyme A",C35H56N7O18P3S,-4,0,0,,NaN,NaN,,"",CE5942,,,NaN,"",,"",,,,,NaN,,,PNNFJGGYIRMCJJ-XVQMUYSRSA-J,"InChI=1S/C35H60N7O18P3S/c1-20(2)8-7-9-21(3)10-11-23(43)22(4)34(48)64-15-14-37-25(44)12-13-38-32(47)29(46)35(5,6)17-57-63(54,55)60-62(52,53)56-16-24-28(59-61(49,50)51)27(45)33(58-24)42-19-41-26-30(36)39-18-40-31(26)42/h18-22,24,27-29,33,45-46H,7-17H2,1-6H3,(H,37,44)(H,38,47)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/t21?,22-,24?,27?,28?,29?,33-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@]([H])(C(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5943,"3(R)-Hydroxy-(2S,6R,10)-Trimethyl-Hendecanoyl Coenzyme A",C35H58N7O18P3S,-4,0,0,,NaN,NaN,,"",CE5943,,,NaN,"",,"",,,,,NaN,,,ZCRMZTYAHRWKNW-ZOVKUSNZSA-J,"InChI=1S/C35H62N7O18P3S/c1-20(2)8-7-9-21(3)10-11-23(43)22(4)34(48)64-15-14-37-25(44)12-13-38-32(47)29(46)35(5,6)17-57-63(54,55)60-62(52,53)56-16-24-28(59-61(49,50)51)27(45)33(58-24)42-19-41-26-30(36)39-18-40-31(26)42/h18-24,27-29,33,43,45-46H,7-17H2,1-6H3,(H,37,44)(H,38,47)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/p-4/t21?,22-,23+,24?,27?,28?,29?,33-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5944,"10,11-Dihydro-12-Oxo-Ltb4",C20H31O4,-1,0,0,,53481445,NaN,,"",CE5944,CE5944,,NaN,"",CE5944,"",,,MNXM33026,,NaN,,,AHHXLFNPCWCNQF-XPZOMPGTSA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,19,22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/p-1/b8-7?,9-6-,15-11-/t19-/m0/s1",[H]O[C@@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5945,"10,11-Dihydro-20-Dihydroxy-Leukotriene B4",C20H33O6,-1,0,0,,53481447,NaN,,"",,CE5945,,NaN,"",CE5945,"",,,MNXM33029,,NaN,,,BZDHSIPNZCHPKA-FLFMSFBESA-M,"InChI=1S/C20H34O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,17-19,21-24H,1,3,7,9-12,14-16H2,(H,25,26)/p-1/b5-4?,6-2-,13-8-/t17-,18-/m0/s1",[H]OC([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5946,"10,11-Dihydro-20-Trihydroxy-Leukotriene B4",C20H33O7,-1,0,0,,53481448,NaN,,"",CE5946,CE5946,,NaN,"",CE5946,"",,,MNXM33030,,NaN,,,LSVHZFZMMXHHBS-MNBASXMYSA-M,"InChI=1S/C20H34O7/c21-17(11-6-2-1-5-9-16-20(25,26)27)12-7-3-4-8-13-18(22)14-10-15-19(23)24/h2-4,6,8,13,17-18,21-22,25-27H,1,5,7,9-12,14-16H2,(H,23,24)/p-1/b4-3+,6-2-,13-8-/t17-,18-/m0/s1",[H]O[C@@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])(O[H])O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5947,"20-COOH-10,11-Dihydro-Leukotriene B4",C20H30O6,-2,0,0,,53481507,NaN,,"",CE5947,CE5947,,NaN,"",CE5947,"",,,MNXM35482,,NaN,,,BCZGHMCTSJAJRR-FLFMSFBESA-L,"InChI=1S/C20H32O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,17-18,21-22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/p-2/b5-4?,6-2-,13-8-/t17-,18-/m0/s1",[H]O[C@@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5956,"Trans,Trans,Cis-Geranyl-Geranyl-Pp",C20H33O7P2,-3,0,0,,735,NaN,,"",CE5956,,,NaN,"",CE5956,"",,,MNXM169262,,NaN,,,OINNEUNVOZHBOX-UHFFFAOYSA-K,"InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE5966,"3-Oxo-5(S),12(R)-Dihydroxy-Eicosa-8-Trans-6,14-Cis-Trienoyl Coenzyme A",C41H62N7O20P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5966,"",,,MNXM91381,,NaN,,,KRKBEAQJNHSWAF-QBJCXFJNSA-J,"InChI=1S/C41H66N7O20P3S/c1-4-5-6-7-8-11-14-27(49)15-12-9-10-13-16-28(50)21-29(51)22-32(53)72-20-19-43-31(52)17-18-44-39(56)36(55)41(2,3)24-65-71(62,63)68-70(60,61)64-23-30-35(67-69(57,58)59)34(54)40(66-30)48-26-47-33-37(42)45-25-46-38(33)48/h8-11,13,16,25-28,30,34-36,40,49-50,54-55H,4-7,12,14-15,17-24H2,1-3H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/b10-9+,11-8-,16-13-/t27?,28-,30?,34?,35?,36?,40+/m0/s1",[H]O[C@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(=O)C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5967,"3(S),10(R)-Oh-Octadeca-6-Trans-4,12-Cis-Trienoyl Coenzyme A",C39H60N7O19P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5967,"",,,MNXM162894,,NaN,,,NWGGHDWYXJUVMO-JXVKLPEWSA-J,"InChI=1S/C39H64N7O19P3S/c1-4-5-6-7-8-11-14-26(47)15-12-9-10-13-16-27(48)21-30(50)69-20-19-41-29(49)17-18-42-37(53)34(52)39(2,3)23-62-68(59,60)65-67(57,58)61-22-28-33(64-66(54,55)56)32(51)38(63-28)46-25-45-31-35(40)43-24-44-36(31)46/h8-11,13,16,24-28,32-34,38,47-48,51-52H,4-7,12,14-15,17-23H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/p-4/b10-9+,11-8-,16-13-/t26?,27-,28?,32?,33?,34?,38+/m0/s1",[H]O[C@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5968,"3(S),10(R)-Oh-Octadeca-6-Trans-4,12-Cis-Trienoate",C18H29O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE5968,"",,,MNXM161244,,NaN,,,YACBGVCITKQKQT-UWZQYSLKSA-M,"InChI=1S/C18H30O4/c1-2-3-4-5-6-9-12-16(19)13-10-7-8-11-14-17(20)15-18(21)22/h6-9,11,14,16-17,19-20H,2-5,10,12-13,15H2,1H3,(H,21,22)/p-1/b8-7?,9-6-,14-11-/t16?,17-/m0/s1",[H]O[C@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([O-])=O
CE5969,"10,11-Dihydro-Ltb4 Coenzyme A",C41H64N7O19P3S,-4,0,0,,NaN,NaN,,"",CE5969,,,NaN,"",CE5969,"",,,MNXM162793,,NaN,,,ZYYSFSZTRFQEDO-JHEHLVRRSA-J,"InChI=1S/C41H68N7O19P3S/c1-4-5-6-7-8-11-15-28(49)16-12-9-10-13-17-29(50)18-14-19-32(52)71-23-22-43-31(51)20-21-44-39(55)36(54)41(2,3)25-64-70(61,62)67-69(59,60)63-24-30-35(66-68(56,57)58)34(53)40(65-30)48-27-47-33-37(42)45-26-46-38(33)48/h8-11,13,17,26-30,34-36,40,49-50,53-54H,4-7,12,14-16,18-25H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-4/b10-9+,11-8-,17-13-/t28-,29-,30?,34?,35?,36?,40+/m0/s1",[H]O[C@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5970,"5(S),12(R)-Dihydroxy-Eicosa-2,8-Trans-6,14-Cis-Tetraenoyl Coenzyme A",C41H62N7O19P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5970,"",,,MNXM163206,,NaN,,,AYYISPCMVSHNTF-LKHKBAEFSA-J,"InChI=1S/C41H66N7O19P3S/c1-4-5-6-7-8-11-15-28(49)16-12-9-10-13-17-29(50)18-14-19-32(52)71-23-22-43-31(51)20-21-44-39(55)36(54)41(2,3)25-64-70(61,62)67-69(59,60)63-24-30-35(66-68(56,57)58)34(53)40(65-30)48-27-47-33-37(42)45-26-46-38(33)48/h8-11,13-14,17,19,26-30,34-36,40,49-50,53-54H,4-7,12,15-16,18,20-25H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/p-4/b10-9+,11-8-,17-13-,19-14+/t28?,29-,30?,34?,35?,36?,40+/m0/s1",[H]O[C@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5971,"3(S),5(S),12(R)-Trihydroxy-Eicosa-8-Trans-6,14-Cis-Trienoyl Coenzyme A",C41H64N7O20P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",CE5971,"",,,MNXM162897,,NaN,,,QRICRRFWADTSRS-GRPBHSQZSA-J,"InChI=1S/C41H68N7O20P3S/c1-4-5-6-7-8-11-14-27(49)15-12-9-10-13-16-28(50)21-29(51)22-32(53)72-20-19-43-31(52)17-18-44-39(56)36(55)41(2,3)24-65-71(62,63)68-70(60,61)64-23-30-35(67-69(57,58)59)34(54)40(66-30)48-26-47-33-37(42)45-25-46-38(33)48/h8-11,13,16,25-30,34-36,40,49-51,54-55H,4-7,12,14-15,17-24H2,1-3H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/b10-9+,11-8-,16-13-/t27?,28-,29?,30?,34?,35?,36?,40+/m0/s1",[H]O[C@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(O[H])C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE5976,"12-Oxo-10,11-Dihydro-20-Cooh-Ltb4",C20H28O6,-2,0,0,,53481456,NaN,,"",CE5976,,,NaN,"",CE5976,"",,,MNXM33275,,NaN,,,RYMSXFPLTLWXCK-QPXPKGDFSA-L,"InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-6,8,13,18,22H,1,3,7,9-12,14-16H2,(H,23,24)(H,25,26)/p-2/b5-4?,6-2-,13-8-/t18-/m0/s1",[H]O[C@@]([H])(C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE5982,"Melatonin Radical",C13H17N2O3,0,0,0,,NaN,NaN,,"",CE5982,,,NaN,"",,"",,,,,NaN,,,SQNQBXWYHXYLQX-UHFFFAOYSA-N,"InChI=1S/C13H17N2O3/c1-9(16)14-6-5-13(17)8-15-12-4-3-10(18-2)7-11(12)13/h3-4,7-8,15,17H,5-6H2,1-2H3,(H,14,16)",[H]OC(=NC([H])([H])C([H])([H])C1(O[H])[C]([H])N([H])C2=C1C([H])=C(OC([H])([H])[H])C([H])=C2[H])C([H])([H])[H]
CE5986,"5-Nitro-Gama-Tocopherol",C28H47NO4,0,0,0,,NaN,NaN,,"",,CE5986,,NaN,"",CE5986,"",,,MNXM164347,,NaN,,,CVEXLLWUKIIJNZ-YHGPEZAFSA-N,"InChI=1S/C28H47NO4/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-17-28(7)18-16-24-25(29(31)32)26(30)22(5)23(6)27(24)33-28/h19-21,30H,8-18H2,1-7H3/t20-,21-,28+/m0/s1",[H]OC1=C(C2=C(O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])C(=C1C([H])([H])[H])C([H])([H])[H])[N+]([O-])=O
CE5994,"20-Oxo-Leukotriene E4",C23H34NO6S,-1,0,0,,53481512,NaN,,"",,,,NaN,"",CE5994,"",,,MNXM35502,,NaN,,,DXFWBOQUFGDWDP-HEZGWBLQSA-M,"InChI=1S/C23H35NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,17,19-21,26H,1,6,8,10,12-14,16,18,24H2,(H,27,28)(H,29,30)/p-1/b4-2-,5-3-,9-7+,15-11+/t19-,20+,21-/m1/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=O
CE5995,"20-Cooh-Leukotriene E4",C23H33NO7S,-2,0,0,,53481508,NaN,,"",,,,NaN,"",CE5995,"",,,MNXM35483,,NaN,,,HVLRBLGTGJGVCX-RHSCJZQUSA-L,"InChI=1S/C23H35NO7S/c24-18(23(30)31)17-32-20(19(25)13-12-16-22(28)29)14-10-8-6-4-2-1-3-5-7-9-11-15-21(26)27/h2-6,8,10,14,18-20,25H,1,7,9,11-13,15-17,24H2,(H,26,27)(H,28,29)(H,30,31)/p-2/b4-2-,5-3-,8-6+,14-10+/t18-,19+,20-/m1/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE6000,"nitrosoperoxycarbonate",CNO5,-1,106.014,105.9781957,,53356689,62726,HMDB0062504,"",,,,NaN,"",CE6000,"",,,MNXM64792,,NaN,,,KSZMOTXUZYNGAZ-UHFFFAOYSA-M,"InChI=1S/CHNO5/c3-1(4)6-7-2-5/h(H,3,4)/p-1",[O-]C(=O)OON=O
CE6027,"24,25,26,27-Tetranor-23-Oxo-Hydroxyvitamin D3",C23H34O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE6027,"",,,MNXM164173,,NaN,,,AOVGFTJYESGAEA-CJEYCIBDSA-N,"InChI=1S/C23H34O3/c1-15(10-12-24)20-8-9-21-17(5-4-11-23(20,21)3)6-7-18-13-19(25)14-22(26)16(18)2/h6-7,12,15,19-22,25-26H,2,4-5,8-11,13-14H2,1,3H3/b17-6+,18-7-/t15-,19+,20-,21+,22+,23?/m0/s1",[H]O[C@@]1([H])C(=C([H])[H])\C(=C(\[H])C([H])=C2C([H])([H])C([H])([H])C([H])([H])C3(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@@]3([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])=O)C([H])([H])[C@@]([H])(O[H])C1([H])[H]
CE6031,"Androsterone Sulfate",C19H29O5S,-1,0,0,,159663,NaN,,"",CE6031,CE6031,,NaN,"",,"",,,,,NaN,,,ZMITXKRGXGRMKS-HLUDHZFRSA-M,"InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/p-1/t12-,13+,14-,15-,16-,18-,19-/m0/s1",[H]C([H])([H])[C@@]12C(=O)C([H])([H])C([H])([H])[C@@]1([H])[C@]1([H])C([H])([H])C([H])([H])[C@@]3([H])C([H])([H])[C@]([H])(OS([O-])(=O)=O)C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]1([H])C([H])([H])C2([H])[H]
CE6182,"20 Coenzyme A-20-Oxo-Leukotriene B4",C41H59N7O21P3S,-5,0,0,,53481505,NaN,,"",CE6182,,,NaN,"",CE6182,"",,,MNXM35481,,NaN,,,WLWKYZHFLKRKEU-YZXLORRJSA-I,"InChI=1S/C41H64N7O21P3S/c1-41(2,24-66-72(63,64)69-71(61,62)65-23-29-35(68-70(58,59)60)34(55)40(67-29)48-26-47-33-37(42)45-25-46-38(33)48)36(56)39(57)44-20-19-30(51)43-21-22-73-32(54)18-11-5-3-4-8-13-27(49)14-9-6-7-10-15-28(50)16-12-17-31(52)53/h4,6-10,14-15,25-29,34-36,40,49-50,55-56H,3,5,11-13,16-24H2,1-2H3,(H,43,51)(H,44,57)(H,52,53)(H,61,62)(H,63,64)(H2,42,45,46)(H2,58,59,60)/p-5/b7-6+,8-4-,14-9-,15-10-/t27-,28-,29+,34-,35-,36?,40+/m0/s1",[H]O[C@]([H])(C([H])=C([H])C(\[H])=C(/[H])\C(\[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6183,"18,20-Dioxo-20 Coenzyme A-Leukotriene B4",C41H57N7O22P3S,-5,0,0,,53481487,NaN,,"",,,,NaN,"",CE6183,"",,,MNXM33740,,NaN,,,MWWKFDDOIUOYAX-RLUNETQTSA-I,"InChI=1S/C41H62N7O22P3S/c1-41(2,23-67-73(64,65)70-72(62,63)66-22-29-35(69-71(59,60)61)34(56)40(68-29)48-25-47-33-37(42)45-24-46-38(33)48)36(57)39(58)44-18-17-30(52)43-19-20-74-32(55)21-28(51)14-9-5-8-13-26(49)11-6-3-4-7-12-27(50)15-10-16-31(53)54/h3-8,11-12,24-27,29,34-36,40,49-50,56-57H,9-10,13-23H2,1-2H3,(H,43,52)(H,44,58)(H,53,54)(H,62,63)(H,64,65)(H2,42,45,46)(H2,59,60,61)/p-5/b4-3+,8-5+,11-6-,12-7-/t26-,27+,29-,34+,35+,36?,40-/m1/s1",[H]O[C@]([H])(C([H])=C([H])C(\[H])=C(/[H])\C(\[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6184,"18 Coenzyme A-18-Oxo-Dinorleukotriene B4",C39H55N7O21P3S,-5,0,0,,53481490,NaN,,"",,,,NaN,"",CE6184,"",,,MNXM33750,,NaN,,,CQLBXHGTJMWNLT-GCOKCPSWSA-I,"InChI=1S/C39H60N7O21P3S/c1-39(2,22-64-70(61,62)67-69(59,60)63-21-27-33(66-68(56,57)58)32(53)38(65-27)46-24-45-31-35(40)43-23-44-36(31)46)34(54)37(55)42-18-17-28(49)41-19-20-71-30(52)16-9-5-8-13-25(47)11-6-3-4-7-12-26(48)14-10-15-29(50)51/h3-8,11-12,23-27,32-34,38,47-48,53-54H,9-10,13-22H2,1-2H3,(H,41,49)(H,42,55)(H,50,51)(H,59,60)(H,61,62)(H2,40,43,44)(H2,56,57,58)/p-5/b4-3+,8-5?,11-6+,12-7-/t25-,26+,27-,32+,33+,34?,38-/m1/s1",[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6185,"Omega-Carboxy-Trinor-Leukotriene B4",C18H24O6,-2,0,0,,53481589,NaN,,"",,,,NaN,"",CE6185,"",,,MNXM65538,,NaN,,,XWRIIHRGMKHPHN-CESFWYKVSA-L,"InChI=1S/C18H26O6/c19-15(11-6-3-7-13-17(21)22)9-4-1-2-5-10-16(20)12-8-14-18(23)24/h1-6,9-10,15-16,19-20H,7-8,11-14H2,(H,21,22)(H,23,24)/p-2/b2-1+,6-3?,9-4+,10-5-/t15-,16+/m1/s1",[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O
CE6186,"18E-20-Oxo-20 Coenzyme A-Ltb4",C41H57N7O21P3S,-5,0,0,,NaN,NaN,,"",,,,NaN,"",CE6186,"",,,MNXM33779,,NaN,,,PBPMTFAECBJRFW-FGTOBGTISA-I,"InChI=1S/C41H62N7O21P3S/c1-41(2,24-66-72(63,64)69-71(61,62)65-23-29-35(68-70(58,59)60)34(55)40(67-29)48-26-47-33-37(42)45-25-46-38(33)48)36(56)39(57)44-20-19-30(51)43-21-22-73-32(54)18-11-5-3-4-8-13-27(49)14-9-6-7-10-15-28(50)16-12-17-31(52)53/h4,6-11,14-15,18,25-29,34-36,40,49-50,55-56H,3,5,12-13,16-17,19-24H2,1-2H3,(H,43,51)(H,44,57)(H,52,53)(H,61,62)(H,63,64)(H2,42,45,46)(H2,58,59,60)/p-5/b7-6?,8-4-,14-9-,15-10-,18-11+/t27-,28-,29+,34-,35-,36?,40+/m0/s1",[H]O[C@]([H])(C([H])=C([H])C(\[H])=C(/[H])C([H])=C([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])=C([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6187,"20 Coenzyme A-20-Oxo-18R-Hydroxyleucotriene B4",C41H59N7O22P3S,-5,0,0,,NaN,NaN,,"",,,,NaN,"",CE6187,"",,,MNXM35480,,NaN,,,JFQGNCZAHDITHX-GQKJEJTLSA-I,"InChI=1S/C41H64N7O22P3S/c1-41(2,23-67-73(64,65)70-72(62,63)66-22-29-35(69-71(59,60)61)34(56)40(68-29)48-25-47-33-37(42)45-24-46-38(33)48)36(57)39(58)44-18-17-30(52)43-19-20-74-32(55)21-28(51)14-9-5-8-13-26(49)11-6-3-4-7-12-27(50)15-10-16-31(53)54/h3-8,11-12,24-29,34-36,40,49-51,56-57H,9-10,13-23H2,1-2H3,(H,43,52)(H,44,58)(H,53,54)(H,62,63)(H,64,65)(H2,42,45,46)(H2,59,60,61)/p-5/b4-3-,8-5?,11-6+,12-7-/t26-,27+,28+,29-,34+,35+,36?,40-/m1/s1",[H]O[C@]([H])(C(\[H])=C(/[H])C([H])=C([H])C(\[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6188,"Coenzyme A-Omega-Cooh-Dinor-Lte4",C42H60N8O22P3S2,-5,0,0,,NaN,NaN,,"",,,,NaN,"",CE6188,"",,,MNXM47396,,NaN,,,QFIFJHIRXMCJMO-GVVKVPPWSA-I,"InChI=1S/C42H65N8O22P3S2/c1-42(2,23-69-75(66,67)72-74(64,65)68-21-28-35(71-73(61,62)63)34(56)40(70-28)50-25-49-33-37(44)47-24-48-38(33)50)36(57)39(58)46-18-17-30(52)45-19-20-76-32(55)16-11-9-7-5-3-4-6-8-10-14-29(77-22-26(43)41(59)60)27(51)13-12-15-31(53)54/h3-4,6-10,14,24-29,34-36,40,51,56-57H,5,11-13,15-23,43H2,1-2H3,(H,45,52)(H,46,58)(H,53,54)(H,59,60)(H,64,65)(H,66,67)(H2,44,47,48)(H2,61,62,63)/p-5/b4-3-,8-6+,9-7-,14-10+/t26-,27+,28-,29-,34+,35+,36?,40-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6189,"Coenzyme A-20-Cooh-18-Oxo-Lte4",C44H62N8O23P3S2,-5,0,0,,53481542,NaN,,"",,,,NaN,"",CE6189,"",,,MNXM47394,,NaN,,,HSPIWFCPBFIZFA-YXOUQQAOSA-I,"InChI=1S/C44H67N8O23P3S2/c1-44(2,24-72-78(69,70)75-77(67,68)71-22-30-37(74-76(64,65)66)36(59)42(73-30)52-26-51-35-39(46)49-25-50-40(35)52)38(60)41(61)48-18-17-32(55)47-19-20-79-34(58)21-27(53)13-10-8-6-4-3-5-7-9-11-15-31(80-23-28(45)43(62)63)29(54)14-12-16-33(56)57/h3,5-9,11,15,25-26,28-31,36-38,42,54,59-60H,4,10,12-14,16-24,45H2,1-2H3,(H,47,55)(H,48,61)(H,56,57)(H,62,63)(H,67,68)(H,69,70)(H2,46,49,50)(H2,64,65,66)/p-5/b5-3-,8-6-,9-7+,15-11+/t28-,29+,30-,31-,36+,37+,38?,42-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6190,"Coenzyme A-20-Cooh-Lte4",C44H64N8O22P3S2,-5,0,0,,NaN,NaN,,"",,,,NaN,"",CE6190,"",,,MNXM47395,,NaN,,,KONKGRIDBYMNKG-GDFCCANPSA-I,"InChI=1S/C44H69N8O22P3S2/c1-44(2,25-71-77(68,69)74-76(66,67)70-23-30-37(73-75(63,64)65)36(58)42(72-30)52-27-51-35-39(46)49-26-50-40(35)52)38(59)41(60)48-20-19-32(54)47-21-22-78-34(57)18-13-11-9-7-5-3-4-6-8-10-12-16-31(79-24-28(45)43(61)62)29(53)15-14-17-33(55)56/h4-8,10,12,16,26-31,36-38,42,53,58-59H,3,9,11,13-15,17-25,45H2,1-2H3,(H,47,54)(H,48,60)(H,55,56)(H,61,62)(H,66,67)(H,68,69)(H2,46,49,50)(H2,63,64,65)/p-5/b6-4+,7-5+,10-8-,16-12+/t28-,29+,30-,31-,36+,37+,38?,42-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])=C([H])C(\[H])=C(/[H])[C@@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6191,"18E-20-Oxo-20 Coenzyme A-Lte4",C44H62N8O22P3S2,-5,0,0,,53481494,NaN,,"",,,,NaN,"",CE6191,"",,,MNXM33780,,NaN,,,KBFUWUDFICVJDA-PEEYKSPMSA-I,"InChI=1S/C44H67N8O22P3S2/c1-44(2,25-71-77(68,69)74-76(66,67)70-23-30-37(73-75(63,64)65)36(58)42(72-30)52-27-51-35-39(46)49-26-50-40(35)52)38(59)41(60)48-20-19-32(54)47-21-22-78-34(57)18-13-11-9-7-5-3-4-6-8-10-12-16-31(79-24-28(45)43(61)62)29(53)15-14-17-33(55)56/h4-8,10,12-13,16,18,26-31,36-38,42,53,58-59H,3,9,11,14-15,17,19-25,45H2,1-2H3,(H,47,54)(H,48,60)(H,55,56)(H,61,62)(H,66,67)(H,68,69)(H2,46,49,50)(H2,63,64,65)/p-5/b6-4?,7-5?,10-8?,16-12-,18-13+/t28-,29+,30-,31-,36+,37+,38?,42-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])=C([H])C([H])=C([H])[C@@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6192,"18(R)-Hydroxy-20-Oxo-20 Coenzyme A-Lte4",C44H64N8O23P3S2,-5,0,0,,NaN,NaN,,"",,,,NaN,"",CE6192,"",,,MNXM33739,,NaN,,,LTGUFAUPEHDXRQ-CPUJWCLISA-I,"InChI=1S/C44H69N8O23P3S2/c1-44(2,24-72-78(69,70)75-77(67,68)71-22-30-37(74-76(64,65)66)36(59)42(73-30)52-26-51-35-39(46)49-25-50-40(35)52)38(60)41(61)48-18-17-32(55)47-19-20-79-34(58)21-27(53)13-10-8-6-4-3-5-7-9-11-15-31(80-23-28(45)43(62)63)29(54)14-12-16-33(56)57/h3,5-9,11,15,25-31,36-38,42,53-54,59-60H,4,10,12-14,16-24,45H2,1-2H3,(H,47,55)(H,48,61)(H,56,57)(H,62,63)(H,67,68)(H,69,70)(H2,46,49,50)(H2,64,65,66)/p-5/b5-3-,8-6-,9-7-,15-11+/t27-,28-,29+,30-,31-,36+,37+,38?,42-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])=C([H])C(\[H])=C(/[H])[C@@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6193,"18-Carboxy-Dinor-Lte4",C21H29NO7S,-2,0,0,,53481489,NaN,,"",,,,NaN,"",CE6193,"",,,MNXM33749,,NaN,,,OXCSBZDIZXLXRX-VUUAMBQASA-L,"InChI=1S/C21H31NO7S/c22-16(21(28)29)15-30-18(17(23)11-10-14-20(26)27)12-8-6-4-2-1-3-5-7-9-13-19(24)25/h1-2,4-8,12,16-18,23H,3,9-11,13-15,22H2,(H,24,25)(H,26,27)(H,28,29)/p-2/b2-1-,6-4-,7-5-,12-8+/t16-,17+,18-/m1/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(\[H])=C(/[H])C([H])=C([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O
CE6195,"Omega-Cooh-Tetranor-Leukotriene E3 Coenzyme A",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
CE6197,"Omega-Cooh-Tetranor-Leukotriene E3",C19H26NO7S,-3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LDJCPGIDJQSRGG-PBKKLUOHSA-K,"InChI=1S/C19H29NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-4,6,10,14-16,21H,5,7-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/p-3/b3-1+,4-2+,10-6+/t14-,15-,16+/m1/s1",[H]O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@@]([H])(SC([H])([H])[C@@]([H])(N([H])[H])C([O-])=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE6198,"16,18-Oxo-18 Coenzyme A-Dinor-Lte4",C42H60N8O23P3S2,-5,0,0,,53481480,NaN,,"",,,,NaN,"",CE6198,"",,,MNXM33508,,NaN,,,IPTNGKBINTWILB-MOGVCQQGSA-I,"InChI=1S/C42H65N8O23P3S2/c1-42(2,22-70-76(67,68)73-75(65,66)69-20-28-35(72-74(62,63)64)34(57)40(71-28)50-24-49-33-37(44)47-23-48-38(33)50)36(58)39(59)46-16-15-30(53)45-17-18-77-32(56)19-25(51)11-8-6-4-3-5-7-9-13-29(78-21-26(43)41(60)61)27(52)12-10-14-31(54)55/h3-5,7,9,13,23-24,26-29,34-36,40,52,57-58H,6,8,10-12,14-22,43H2,1-2H3,(H,45,53)(H,46,59)(H,54,55)(H,60,61)(H,65,66)(H,67,68)(H2,44,47,48)(H2,62,63,64)/p-5/b4-3-,7-5+,13-9+/t26-,27+,28-,29-,34+,35+,36?,40-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6204,"Coenzyme A-18-Cooh-16E-Dinor-Lte5",C42H58N8O22P3S2,-5,0,0,,NaN,NaN,,"",,,,NaN,"",CE6204,"",,,MNXM164681,,NaN,,,GUAGWAIMNAPYFO-XEKBFFPISA-I,"InChI=1S/C42H63N8O22P3S2/c1-42(2,23-69-75(66,67)72-74(64,65)68-21-28-35(71-73(61,62)63)34(56)40(70-28)50-25-49-33-37(44)47-24-48-38(33)50)36(57)39(58)46-18-17-30(52)45-19-20-76-32(55)16-11-9-7-5-3-4-6-8-10-14-29(77-22-26(43)41(59)60)27(51)13-12-15-31(53)54/h3-4,6-11,14,16,24-29,34-36,40,51,56-57H,5,12-13,15,17-23,43H2,1-2H3,(H,45,52)(H,46,58)(H,53,54)(H,59,60)(H,64,65)(H,66,67)(H2,44,47,48)(H2,61,62,63)/p-5/b4-3-,8-6+,9-7-,14-10+,16-11?/t26-,27-,28?,29?,34?,35?,36?,40?/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])=C([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])C([H])(SC([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
CE6205,"5-Methoxytryptophol",C11H13NO2,0,191.2264,191.0946287,,12835,114833,HMDB0001896,"",,CE6205,FDB022726,12305,"",CE6205,"",,,MNXM14897,,NaN,712-09-4,DTXSID00221394,QLWKTGDEPLRFAT-UHFFFAOYSA-N,"InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3",[H]OC([H])([H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C12
CE6219,"Gama-Tocopheryl Quinone",C28H48O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE6219,"",,,MNXM167781,,NaN,,,XEXGHDCZBILZDD-VPYPWEPUSA-N,"InChI=1S/C28H48O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7,31)18-16-25-19-26(29)23(5)24(6)27(25)30/h19-22,31H,8-18H2,1-7H3/t21-,22-,28-/m0/s1",[H]O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C1=C([H])C(=O)C(=C(C1=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
CE6225,"16E-18-Oxo-18 Coenzyme A-Dinor-Lte4",C42H60N8O22P3S2,-5,0,0,,53481482,NaN,,"",,,,NaN,"",CE6225,"",,,MNXM33579,,NaN,,,UNMYUSONOSUPAJ-WCKJHTGZSA-I,"InChI=1S/C42H65N8O22P3S2/c1-42(2,23-69-75(66,67)72-74(64,65)68-21-28-35(71-73(61,62)63)34(56)40(70-28)50-25-49-33-37(44)47-24-48-38(33)50)36(57)39(58)46-18-17-30(52)45-19-20-76-32(55)16-11-9-7-5-3-4-6-8-10-14-29(77-22-26(43)41(59)60)27(51)13-12-15-31(53)54/h3-4,6,8,10-11,14,16,24-29,34-36,40,51,56-57H,5,7,9,12-13,15,17-23,43H2,1-2H3,(H,45,52)(H,46,58)(H,53,54)(H,59,60)(H,64,65)(H,66,67)(H2,44,47,48)(H2,61,62,63)/p-5/b4-3-,8-6+,14-10+,16-11+/t26-,27+,28-,29-,34+,35+,36?,40-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6226,"16(S)-Hydroxy-18-Oxo-18 Coenzyme A-Lte4",C42H62N8O23P3S2,-5,0,0,,53481478,NaN,,"",,,,NaN,"",CE6226,"",,,MNXM33496,,NaN,,,APLMMNVXTIRDHJ-REUWABMHSA-I,"InChI=1S/C42H67N8O23P3S2/c1-42(2,22-70-76(67,68)73-75(65,66)69-20-28-35(72-74(62,63)64)34(57)40(71-28)50-24-49-33-37(44)47-23-48-38(33)50)36(58)39(59)46-16-15-30(53)45-17-18-77-32(56)19-25(51)11-8-6-4-3-5-7-9-13-29(78-21-26(43)41(60)61)27(52)12-10-14-31(54)55/h3-5,7,9,13,23-29,34-36,40,51-52,57-58H,6,8,10-12,14-22,43H2,1-2H3,(H,45,53)(H,46,59)(H,54,55)(H,60,61)(H,65,66)(H,67,68)(H2,44,47,48)(H2,62,63,64)/p-5/t25-,26+,27-,28+,29+,34-,35-,36?,40+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])=C([H])[C@@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6227,"Coenzyme A-18-Cooh-15E-Dinor-Lte4",C42H60N8O22P3S2,-5,0,0,,NaN,NaN,,"",,,,NaN,"",CE6227,"",,,MNXM47393,,NaN,,,ANLFIWCXIHNIAL-CAIMCJOESA-I,"InChI=1S/C42H65N8O22P3S2/c1-42(2,23-69-75(66,67)72-74(64,65)68-21-28-35(71-73(61,62)63)34(56)40(70-28)50-25-49-33-37(44)47-24-48-38(33)50)36(57)39(58)46-18-17-30(52)45-19-20-76-32(55)16-11-9-7-5-3-4-6-8-10-14-29(77-22-26(43)41(59)60)27(51)13-12-15-31(53)54/h3-4,6,8-11,14,24-29,34-36,40,51,56-57H,5,7,12-13,15-23,43H2,1-2H3,(H,45,52)(H,46,58)(H,53,54)(H,59,60)(H,64,65)(H,66,67)(H2,44,47,48)(H2,61,62,63)/p-5/b4-3-,8-6+,11-9+,14-10+/t26-,27+,28-,29-,34+,35+,36?,40-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6228,"13E-Tetranor-16-Oxo-16 Coenzyme A-Lte4",C40H56N8O22P3S2,-5,0,0,,53481473,NaN,,"",,,,NaN,"",CE6228,"",,,MNXM33354,,NaN,,,FSCROZZUFXOEMF-KIKALQEQSA-I,"InChI=1S/C40H61N8O22P3S2/c1-40(2,21-67-73(64,65)70-72(62,63)66-19-26-33(69-71(59,60)61)32(54)38(68-26)48-23-47-31-35(42)45-22-46-36(31)48)34(55)37(56)44-16-15-28(50)43-17-18-74-30(53)14-9-7-5-3-4-6-8-12-27(75-20-24(41)39(57)58)25(49)11-10-13-29(51)52/h3-9,12,22-27,32-34,38,49,54-55H,10-11,13-21,41H2,1-2H3,(H,43,50)(H,44,56)(H,51,52)(H,57,58)(H,62,63)(H,64,65)(H2,42,45,46)(H2,59,60,61)/p-5/b5-3?,6-4?,9-7+,12-8-/t24-,25+,26-,27-,32+,33+,34?,38-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])=C([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])=C([H])[C@@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
CE6229,"13E-Tetranor-16-Carboxy-Lte4",C19H25NO7S,-2,0,0,,53481472,NaN,,"",,,,NaN,"",CE6229,"",,,MNXM150224,,NaN,,,MAFGRSDWXFSHMK-CSSXUZKFSA-L,"InChI=1S/C19H27NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-7,10,14-16,21H,8-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/p-2/b3-1-,4-2+,7-5?,10-6+/t14-,15+,16-/m1/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(SC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([O-])=O
CE6230,"15-Hydroperoxyeicosa-8Z,11Z,13E-Trienoate",C20H33O4,-1,0,0,,53936694,NaN,,"",,CE6230,,NaN,"",CE6230,"",,,MNXM150211,,NaN,,,IUXBNSNRPLXHER-UHFFFAOYSA-M,"InChI=1S/C20H34O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,9,11,14,17,19,23H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,21,22)/p-1",[H]OOC([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE6232,"Prostaglandin G1",C20H33O6,-1,0,0,,53481591,NaN,,"",,CE6232,,NaN,"",CE6232,"",,,MNXM78299,,NaN,,,QXCRWNZYEVOQMB-NDWDMBLISA-M,"InChI=1S/C20H34O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h12-13,15-19,23H,2-11,14H2,1H3,(H,21,22)/p-1/b13-12+/t15-,16-,17-,18+,19-/m0/s1",[H]OO[C@]([H])(C(\[H])=C(/[H])[C@]1([H])[C@@]2([H])OO[C@]([H])(C2([H])[H])[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE6234,"Prostaglandin H1",C20H33O5,-1,0,0,,5283048,NaN,,"",,CE6234,,NaN,"",CE6234,"",,,MNXM78300,,NaN,,,NTAYABHEVAQSJS-NDWDMBLISA-M,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/p-1/b13-12+/t15-,16-,17-,18+,19-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@]1([H])[C@@]2([H])OO[C@]([H])(C2([H])[H])[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE6235,"S-(Prostaglandin A2)-Glutathione",C30H45N3O10S,-2,0,0,,53481602,NaN,,"",CE6235,,,NaN,"",CE6235,"",,,MNXM81249,,NaN,,,XUKIKVBUXFVHNV-MFAQWRDPSA-L,"InChI=1S/C30H47N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,12-13,19-23,25,34H,2-3,5-6,8-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b7-4-,13-12+/t19?,20-,21+,22-,23-,25?/m1/s1",[H]OC([H])(C(\[H])=C(/[H])[C@]1([H])C([H])(SC([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)C([H])([H])C(=O)[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE6240,"9-Deoxy-Delta12-Prostaglandin D2",C20H31O4,-1,0,0,,NaN,NaN,,"",CE6240,,,NaN,"",CE6240,"",,,MNXM151627,,NaN,,,JTEYGOLPGOYFJI-GJGHEGAFSA-M,"InChI=1S/C20H32O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,14,16-17,21H,2-3,5-6,8-13,15H2,1H3,(H,23,24)/p-1/b7-4-,18-14+/t16-,17-/m0/s1",[H]O[C@]([H])(C([H])([H])C(\[H])=C1\C(=O)C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE6241,"S-(9-Deoxy-Delta12-Prostaglandin D2)-Glutathione",C30H47N3O10S,-2,0,0,,53481597,NaN,,"",CE6241,,,NaN,"",CE6241,"",,,MNXM81238,,NaN,,,FRARAXHWXSZZOK-JXVDKITNSA-L,"InChI=1S/C30H49N3O10S/c1-2-3-6-10-20(34)16-24(28-19(12-14-23(28)35)9-7-4-5-8-11-26(37)38)44-18-22(29(41)32-17-27(39)40)33-25(36)15-13-21(31)30(42)43/h4,7,19-22,24,28,34H,2-3,5-6,8-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b7-4-/t19-,20-,21+,22+,24?,28+/m0/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(SC([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)[C@@]1([H])C(=O)C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE6242,"S-(Prostaglandin J2)-Glutathione",C30H45N3O10S,-2,0,0,,53481603,NaN,,"",CE6242,,,NaN,"",CE6242,"",,,MNXM81250,,NaN,,,RJCPXHXLCWWGHO-APFRPCTBSA-L,"InChI=1S/C30H47N3O10S/c1-2-3-6-9-19(34)12-13-20-21(10-7-4-5-8-11-27(37)38)25(16-24(20)35)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,12-13,19-23,25,34H,2-3,5-6,8-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b7-4-,13-12+/t19-,20+,21+,22+,23+,25?/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])C(=O)C([H])([H])C([H])(SC([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE6243,"S-(9-Deoxy-Delta9,12-Prostaglandin D2)-Glutathione",C30H45N3O10S,-2,0,0,,53481598,NaN,,"",CE6243,,,NaN,"",CE6243,"",,,MNXM81239,,NaN,,,RPHLHZIDWIFTII-RJQMMLODSA-L,"InChI=1S/C30H47N3O10S/c1-2-3-6-9-19(34)12-13-20-21(10-7-4-5-8-11-27(37)38)25(16-24(20)35)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,13,19,21-23,25,34H,2-3,5-6,8-12,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b7-4-,20-13+/t19-,21-,22+,23-,25?/m0/s1",[H]O[C@]([H])(C([H])([H])C(\[H])=C1\C(=O)C([H])([H])C([H])(SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)[C@@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE6244,"S-(11-Hydroxy-9-Deoxy-Delta12-Prostaglandin D2)-Glutathione",C30H49N3O10S,-2,0,0,,53481595,NaN,,"",,,,NaN,"",CE6244,"",,,MNXM81225,,NaN,,,BVYNXGKKWADCHD-RXULBTIMSA-L,"InChI=1S/C30H51N3O10S/c1-2-3-6-10-20(34)16-24(28-19(12-14-23(28)35)9-7-4-5-8-11-26(37)38)44-18-22(29(41)32-17-27(39)40)33-25(36)15-13-21(31)30(42)43/h4,7,19-24,28,34-35H,2-3,5-6,8-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b7-4-/t19-,20-,21+,22+,23?,24?,28+/m0/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(SC([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)[C@@]1([H])C([H])(O[H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE6245,"S-(11-Oh-9-Deoxy-Delta9,12-Prostaglandin D2)-Glutathione",C30H47N3O10S,-2,0,0,,53481596,NaN,,"",,,,NaN,"",CE6245,"",,,MNXM81226,,NaN,,,QZWLKAYYUQXKSI-KBQILROESA-L,"InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-20-21(10-7-4-5-8-11-27(37)38)25(16-24(20)35)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h4,7,13,19,21-25,34-35H,2-3,5-6,8-12,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b7-4-,20-13+/t19-,21-,22+,23-,24?,25?/m0/s1",[H]O[C@]([H])(C([H])([H])C(\[H])=C1\C([H])(O[H])C([H])([H])C([H])(SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)[C@@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE6246,"5,12-Dihydroxy-6,8,10,14-Eicosatetraenoic Acid",C20H31O4,-1,0,0,,NaN,NaN,,"",,CE6246,,NaN,"",,"",,,,,NaN,,,VNYSSYRCGWBHLG-XUOUMLBJSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6+,14-10+,15-11+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])(O[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE6247,"5,12,20-Trihete",C20H31O5,-1,0,0,,1589,NaN,,"",CE6247,CE6247,,NaN,"",CE6247,"",,,MNXM164328,,NaN,,,PTJFJXLGRSTECQ-XVPSUHAQSA-M,"InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/p-1/b5-4+,7-3-,13-8?,14-9+/t18-,19-/m1/s1",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@@]([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])=C([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE6248,"20-Oh-Hepoxilin A3",C20H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6248,"",,,MNXM164165,,NaN,,,LZVJZZFRMLGREZ-YTYFACEESA-M,"InChI=1S/C20H32O5/c21-16-10-6-2-1-3-8-12-18-19(25-18)15-14-17(22)11-7-4-5-9-13-20(23)24/h3-4,7-8,14-15,17-19,21-22H,1-2,5-6,9-13,16H2,(H,23,24)/p-1/t17-,18+,19?/m1/s1",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])[C@]1([H])OC1([H])C([H])=C([H])[C@]([H])(O[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE6250,"Hepoxilin A3-C",C30H47N3O10S,-2,0,0,,NaN,NaN,,"",,,,NaN,"",CE6250,"",,,MNXM163405,,NaN,,,JHBHHPKTNQAMGQ-VCQCUTDLSA-L,"InChI=1S/C30H49N3O10S/c1-2-3-9-13-24(35)25(17-15-21(34)12-10-7-5-4-6-8-11-14-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-16-22(31)30(42)43/h4,6-7,10,15,17,21-25,34-35H,2-3,5,8-9,11-14,16,18-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/p-2/b6-4?,10-7-,17-15+/t21-,22-,23-,24-,25+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]([H])(SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE6251,"5,8,10,14-Eicosatetraenoicacid (12,20-Dihete)",C20H31O4,-1,0,0,,1412,NaN,,"",CE6251,,,NaN,"",CE6251,"",,,MNXM150181,,NaN,,,NUPDGIJXOAHJRW-UHFFFAOYSA-M,"InChI=1S/C20H32O4/c21-18-14-10-6-5-8-12-16-19(22)15-11-7-3-1-2-4-9-13-17-20(23)24/h2-4,7-8,11-12,15,19,21-22H,1,5-6,9-10,13-14,16-18H2,(H,23,24)/p-1",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])(O[H])C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE6252,"Urate radical",C5H3N4O3,0,167.1023,167.020515,,NaN,89161,HMDB0060260,"",CE6252,CE6252,,NaN,"",,"",,,,,NaN,,,RKXSGLUFSIPOGU-UHFFFAOYSA-N,"InChI=1S/C5H3N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H3,6,7,8,9,10,11,12)",[H]OC1=NC2=C(N=[C](O[H])=N2)C(O[H])=N1
CE6316,"N,N-Dimethyldopaminequinone",C10H14NO2,1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6316,"",,,MNXM163443,,NaN,,,CAXSHNNFXNMBRA-UHFFFAOYSA-O,"InChI=1S/C10H13NO2/c1-11(2)6-5-8-3-4-9(12)10(13)7-8/h3-4,7H,5-6H2,1-2H3/p+1",[H]C1=C([H])C(=C([H])C(=O)C1=O)C([H])([H])C([H])([H])[N+]([H])(C([H])([H])[H])C([H])([H])[H]
CE6317,"N,N-dimethylindoliumolate",C10H12NO2,1,177.1998,177.0789786,,NaN,NaN,HMDB0060063,"",,,,NaN,"",CE6317,"",,,MNXM158251,,NaN,,,AVORYUIJMLOMPW-UHFFFAOYSA-N,"InChI=1S/C10H11NO2/c1-11(2)4-3-7-5-9(12)10(13)6-8(7)11/h3-6H,1-2H3,(H-,12,13)",[H]OC1=C([O-])C([H])=C2C(C([H])=C([H])[N+]2(C([H])([H])[H])C([H])([H])[H])=C1[H]
CE6415,"11-Hydroperoxyoctadeca-9,12-Dienoic Acid",C18H31O4,-1,0,0,,5230520,NaN,,"",CE6415,,,NaN,"",CE6415,"",,,MNXM4154,,NaN,,,PLWDMWAXENHPLY-PDBSFCERSA-M,"InChI=1S/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)/p-1/b14-11-,15-12-/t17-/m0/s1",[H]OO[C@@]([H])(C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE6420,"8-Peroxy-Docosahexaenoate",C22H30O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6420,"",,,MNXM166710,,NaN,,,JYWFAQGZPPWWNO-WAPUOTHPSA-M,"InChI=1S/C22H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21(26-25)19-16-13-14-17-20-22(23)24/h3-4,6-7,10-15,19,25H,2,5,8-9,16-18,20H2,1H3,(H,23,24)/p-1/b4-3+,7-6+,11-10+,14-13?,15-12+,21-19-",[H]OO\C(=C(\[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H]
CE6423,"11-Peroxy-Docosahexaenoate",C22H30O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6423,"",,,MNXM163639,,NaN,,,,"",
CE6426,"7-Peroxy-Docosahexaenoate",C22H30O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6426,"",,,MNXM164389,,NaN,,,CMMXCXYELCIFAY-BTESRZPBSA-M,"InChI=1S/C22H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(26-25)19-16-14-17-20-22(23)24/h3-4,6-7,10-14,16,18,25H,2,5,8-9,15,17,19-20H2,1H3,(H,23,24)/p-1/b4-3+,7-6+,11-10+,13-12+,16-14+,21-18-",[H]OO\C(=C(\[H])C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([O-])=O
CE6429,"14-Peroxy-Docosahexaenoate",C22H30O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6429,"",,,MNXM163646,,NaN,,,,"",
CE6432,"10-Peroxy-Docosahexaenoate",C22H30O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XSDWCNJXFDZWQX-JTRPFQNHSA-M,"InChI=1S/C22H32O4/c1-2-3-4-5-6-7-8-9-12-15-18-21(26-25)19-16-13-10-11-14-17-20-22(23)24/h3-4,6-7,11-16,18,25H,2,5,8-10,17,19-20H2,1H3,(H,23,24)/p-1/b4-3+,7-6+,14-11+,15-12+,16-13+,21-18-",[H]OO\C(=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([O-])=O
CE6435,"17-Peroxy-Docosahexaenoate",C22H30O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6435,"",,,MNXM164067,,NaN,,,BNHQALRBDJVUQB-NGJSVXFXSA-M,"InChI=1S/C22H32O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11-16,19,21,25H,2,4,9-10,17-18,20H2,1H3,(H,23,24)/p-1/b7-5+,8-6+,13-11+,14-12+,15-3+,19-16+",[H]OOC([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H]
CE6438,"16-Peroxy-Docosahexaenoate",C22H30O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6438,"",,,MNXM164063,,NaN,,,CKZSGIYGQCNFBU-YCKILXMLSA-M,"InChI=1S/C22H32O4/c1-2-3-4-15-18-21(26-25)19-16-13-11-9-7-5-6-8-10-12-14-17-20-22(23)24/h3-4,6-9,12-16,18,21,25H,2,5,10-11,17,19-20H2,1H3,(H,23,24)/p-1/b4-3+,8-6+,9-7+,14-12+,16-13+,18-15+",[H]OOC([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([O-])=O
CE6444,"4-Hydroperoxy-H4-Neuroprostane",C22H31O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6444,"",,,MNXM163681,,NaN,,,HFFDJQRQJYSADX-WTKMUSTRSA-M,"InChI=1S/C22H32O6/c1-2-3-4-5-6-7-8-9-10-11-18-19(21-16-20(18)27-28-21)14-12-17(26-25)13-15-22(23)24/h3-4,6-7,9-10,12,14,17-21,25H,2,5,8,11,13,15-16H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,10-9+,14-12+/t17?,18-,19-,20?,21?/m0/s1",[H]OOC([H])(C([H])=C([H])[C@]1([H])C2([H])OOC([H])(C2([H])[H])[C@@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O
CE6445,"7-Hydroperoxy-H4-Neuroprostane",C22H31O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6445,"",,,MNXM163697,,NaN,,,OBPXZABJSFSQDQ-XISAZSAISA-M,"InChI=1S/C22H32O6/c1-2-3-4-5-6-9-12-18-19(21-16-20(18)27-28-21)15-14-17(26-25)11-8-7-10-13-22(23)24/h3-4,6-9,14-15,17-21,25H,2,5,10-13,16H2,1H3,(H,23,24)/p-1/b4-3-,8-7-,9-6-,15-14+/t17-,18+,19-,20?,21?/m0/s1",[H]OO[C@]([H])(C([H])=C([H])[C@]1([H])C2([H])OOC([H])(C2([H])[H])[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O
CE6446,"11-Hydroperoxy-H4-Neuroprostane",C22H31O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6446,"",,,MNXM163637,,NaN,,,KTZHAQYYTVLGSR-UEVYIUMPSA-M,"InChI=1S/C22H32O6/c1-2-3-4-5-6-7-8-9-10-11-17(26-25)12-13-18-19(14-15-22(23)24)21-16-20(18)27-28-21/h3-4,6-7,9-10,12-13,17-21,25H,2,5,8,11,14-16H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,10-9-,13-12+/t17?,18-,19+,20?,21?/m0/s1",[H]OOC([H])(C(\[H])=C(/[H])[C@@]1([H])C2([H])OOC([H])(C2([H])[H])[C@@]1([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE6447,"10-Hydroperoxy-H4-Neuroprostane",C22H31O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6447,"",,,MNXM163636,,NaN,,,QMVMCSYNPSQOII-FNLAZEKKSA-M,"InChI=1S/C22H32O6/c1-2-3-8-12-18-19(21-16-20(18)27-28-21)15-14-17(26-25)11-9-6-4-5-7-10-13-22(23)24/h3,5-9,14-15,17-21,25H,2,4,10-13,16H2,1H3,(H,23,24)/p-1/b7-5-,8-3+,9-6-,15-14+/t17-,18+,19-,20?,21?/m0/s1",[H]OO[C@]([H])(C(\[H])=C(/[H])[C@]1([H])C2([H])OOC([H])(C2([H])[H])[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O
CE6448,"14-Hydroperoxy-H4-Neuroprostane",C22H31O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6448,"",,,MNXM12638,,NaN,,,RVZZVMGFWWGKMA-GZFUOBBCSA-M,"InChI=1S/C22H32O6/c1-2-3-4-5-6-8-11-17(26-25)14-15-19-18(20-16-21(19)28-27-20)12-9-7-10-13-22(23)24/h3-4,6-9,14-15,17-21,25H,2,5,10-13,16H2,1H3,(H,23,24)/p-1/b4-3-,8-6-,9-7+,15-14+/t17?,18-,19?,20?,21?/m0/s1",[H]OOC([H])(C(\[H])=C(/[H])C1([H])C2([H])OOC([H])(C2([H])[H])[C@@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE6449,"13-Hydroperoxy-H4-Neuroprostane",C22H31O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6449,"",,,MNXM163645,,NaN,,,MEVBPAJZOYZPMH-BTXLTSGLSA-M,"InChI=1S/C22H32O6/c1-2-18-19(21-16-20(18)27-28-21)15-14-17(26-25)12-10-8-6-4-3-5-7-9-11-13-22(23)24/h3-4,7-10,14-15,17-21,25H,2,5-6,11-13,16H2,1H3,(H,23,24)/p-1/b4-3?,9-7-,10-8-,15-14-/t17-,18+,19-,20?,21?/m0/s1",[H]OO[C@]([H])(C([H])=C([H])[C@]1([H])C2([H])OOC([H])(C2([H])[H])[C@]1([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O
CE6450,"17-Hydroperoxy-H4-Neuroprostane",C22H31O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6450,"",,,MNXM163648,,NaN,,,XSYYKXJCJWVDMD-NWSONEAJSA-M,"InChI=1S/C22H32O6/c1-2-3-8-11-17(26-25)14-15-19-18(20-16-21(19)28-27-20)12-9-6-4-5-7-10-13-22(23)24/h3,5-9,14-15,17-21,25H,2,4,10-13,16H2,1H3,(H,23,24)/p-1/b7-5-,8-3-,9-6+,15-14+/t17?,18-,19-,20?,21?/m1/s1",[H]OOC([H])(C(\[H])=C(/[H])[C@@]1([H])C2([H])OOC([H])(C2([H])[H])[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE6451,"20-Hydroperoxy-H4-Neuroprostane",C22H31O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6451,"",,,MNXM163661,,NaN,,,YPAIJQRSSHCPIA-KABLMVHISA-M,"InChI=1S/C22H32O6/c1-2-17(26-25)14-15-19-18(20-16-21(19)28-27-20)12-10-8-6-4-3-5-7-9-11-13-22(23)24/h3-4,7-10,14-15,17-21,25H,2,5-6,11-13,16H2,1H3,(H,23,24)/p-1/b4-3-,9-7?,10-8-,15-14+/t17?,18-,19+,20?,21?/m0/s1",[H]OOC([H])(C(\[H])=C(/[H])[C@@]1([H])C2([H])OOC([H])(C2([H])[H])[C@@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])[H]
CE6452,"4-Hydroxy-E4-Neuroprostane",C22H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6452,"",,,MNXM166383,,NaN,,,RIVCEGQLJFEWTQ-IXVWXJQMSA-M,"InChI=1S/C22H32O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-20,23-24H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/p-1/b4-3-,7-6?,10-9+,14-12+/t17-,18-,19+,20?/m0/s1",[H]O[C@]([H])(C([H])=C([H])[C@]1([H])C(=O)C([H])([H])C([H])(O[H])[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O
CE6453,"4-Hydroxy-D4-Neuroprostane",C22H31O5,-1,0,0,,53481519,NaN,,"",,,,NaN,"",CE6453,"",,,MNXM37505,,NaN,,,IDXBOXWUWDDSSX-GSPMAKDWSA-M,"InChI=1S/C22H32O5/c1-2-3-4-5-6-7-8-9-10-11-18-19(21(25)16-20(18)24)14-12-17(23)13-15-22(26)27/h3-4,6-7,9-10,12,14,17-19,21,23,25H,2,5,8,11,13,15-16H2,1H3,(H,26,27)/p-1/b4-3-,7-6-,10-9-,14-12+",[H]OC([H])(C(\[H])=C(/[H])C1([H])C([H])(O[H])C([H])([H])C(=O)C1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O
CE6454,"7-Hydroxy-E4-Neuroprostane",C22H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6454,"",,,MNXM166677,,NaN,,,KSUMVDZATHWLCP-NVWUASKMSA-M,"InChI=1S/C22H32O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-20,23-24H,2,5,10-13,16H2,1H3,(H,26,27)/p-1/b4-3-,8-7-,9-6+,15-14+/t17-,18+,19-,20?/m0/s1",[H]O[C@]([H])(C([H])=C([H])[C@]1([H])C(=O)C([H])([H])C([H])(O[H])[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O
CE6455,"7-Hydroxy-D4-Neuroprostane",C22H31O5,-1,0,0,,53481533,NaN,,"",,,,NaN,"",CE6455,"",,,MNXM39112,,NaN,,,MBWYKQQOOVDDJT-UGCWMZKCSA-M,"InChI=1S/C22H32O5/c1-2-3-4-5-6-9-12-18-19(21(25)16-20(18)24)15-14-17(23)11-8-7-10-13-22(26)27/h3-4,6-9,14-15,17-19,21,23,25H,2,5,10-13,16H2,1H3,(H,26,27)/p-1/b4-3-,8-7-,9-6-,15-14+",[H]OC([H])(C(\[H])=C(/[H])C1([H])C([H])(O[H])C([H])([H])C(=O)C1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O
CE6456,"11-Hydroxy-E4-Neuroprostane",C22H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6456,"",,,MNXM165516,,NaN,,,SNNNEKANAIMPFW-IIEKJZTOSA-M,"InChI=1S/C22H32O5/c1-2-3-4-5-6-7-8-9-10-11-17(23)12-13-18-19(14-15-22(26)27)21(25)16-20(18)24/h3-4,6-7,9-10,12-13,17-20,23-24H,2,5,8,11,14-16H2,1H3,(H,26,27)/p-1/b4-3-,7-6-,10-9-,13-12+/t17?,18-,19+,20?/m0/s1",[H]OC([H])(C(\[H])=C(/[H])[C@@]1([H])C([H])(O[H])C([H])([H])C(=O)[C@@]1([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE6457,"11-Hydroxy-D4-Neuroprostane",C22H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6457,"",,,MNXM165515,,NaN,,,LFXPXGFITAKPQF-QLRCFABCSA-M,"InChI=1S/C22H32O5/c1-2-3-4-5-6-7-8-9-10-11-17(23)12-13-18-19(14-15-22(26)27)21(25)16-20(18)24/h3-4,6-7,9-10,12-13,17-19,21,23,25H,2,5,8,11,14-16H2,1H3,(H,26,27)/p-1/b4-3-,7-6-,10-9-,13-12+/t17?,18-,19+,21?/m0/s1",[H]OC([H])(C(\[H])=C(/[H])[C@@]1([H])C(=O)C([H])([H])C([H])(O[H])[C@@]1([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE6458,"10-Hydroxy-E4-Neuroprostane",C22H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6458,"",,,MNXM164048,,NaN,,,IFQRUHXGXJVRNV-MFVHNDNCSA-M,"InChI=1S/C22H32O5/c1-2-3-8-12-18-19(21(25)16-20(18)24)15-14-17(23)11-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-20,23-24H,2,4,10-13,16H2,1H3,(H,26,27)/p-1/b7-5-,8-3+,9-6-,15-14+/t17-,18+,19-,20?/m0/s1",[H]O[C@]([H])(C([H])=C([H])[C@]1([H])C(=O)C([H])([H])C([H])(O[H])[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O
CE6459,"10-Hydroxy-D4-Neuroprostane",C22H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6459,"",,,MNXM164048,,NaN,,,HKRPDTDZWZZKNW-ZJZSSWNCSA-M,"InChI=1S/C22H32O5/c1-2-3-8-12-18-19(21(25)16-20(18)24)15-14-17(23)11-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-19,21,23,25H,2,4,10-13,16H2,1H3,(H,26,27)/p-1/b7-5-,8-3+,9-6-,15-14+/t17-,18+,19-,21?/m0/s1",[H]O[C@]([H])(C([H])=C([H])[C@]1([H])C([H])(O[H])C([H])([H])C(=O)[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O
CE6460,"14-Hydroxy-E4-Neuroprostane",C22H31O5,-1,0,0,,53481475,NaN,,"",,,,NaN,"",CE6460,"",,,MNXM33372,,NaN,,,BCQOUZGZSCCQCM-YOQRWUOZSA-M,"InChI=1S/C22H32O5/c1-2-3-4-5-6-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-7-10-13-22(26)27/h3-4,6-9,14-15,17-19,21,23,25H,2,5,10-13,16H2,1H3,(H,26,27)/p-1/b4-3-,8-6-,9-7-,15-14+",[H]OC([H])(C(\[H])=C(/[H])C1([H])C([H])(O[H])C([H])([H])C(=O)C1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE6461,"14-Hydroxy-D4-Neuroprostane",C22H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6461,"",,,MNXM165538,,NaN,,,QDNLJXBCTCRCRZ-ANESGMCMSA-M,"InChI=1S/C22H32O5/c1-2-3-4-5-6-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-7-10-13-22(26)27/h3-4,6-9,14-15,17-20,23-24H,2,5,10-13,16H2,1H3,(H,26,27)/p-1/b4-3-,8-6-,9-7-,15-14+/t17?,18-,19+,20?/m0/s1",[H]OC([H])(C(\[H])=C(/[H])[C@@]1([H])C(=O)C([H])([H])C([H])(O[H])[C@@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE6462,"13-Hydroxy-E4-Neuroprostane",C22H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6462,"",,,MNXM165534,,NaN,,,AYIWIGDPZXRNNR-ZBKSXKQCSA-M,"InChI=1S/C22H32O5/c1-2-18-19(21(25)16-20(18)24)15-14-17(23)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-20,23-24H,2,5-6,11-13,16H2,1H3,(H,26,27)/p-1/b4-3-,9-7-,10-8-,15-14+/t17-,18+,19-,20?/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@]1([H])C(=O)C([H])([H])C([H])(O[H])[C@]1([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O
CE6463,"13-Hydroxy-D4-Neuroprostane",C22H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6463,"",,,MNXM165533,,NaN,,,BAWOSSADQOARSN-JHIZZXPQSA-M,"InChI=1S/C22H32O5/c1-2-18-19(21(25)16-20(18)24)15-14-17(23)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-19,21,23,25H,2,5-6,11-13,16H2,1H3,(H,26,27)/p-1/b4-3-,9-7-,10-8-,15-14+/t17-,18+,19-,21?/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@]1([H])C([H])(O[H])C([H])([H])C(=O)[C@]1([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O
CE6464,"17-Hydroxy-E4-Neuroprostane",C22H31O5,-1,0,0,,53481484,NaN,,"",,,,NaN,"",CE6464,"",,,MNXM33609,,NaN,,,ULILMUUUHYDFOW-HOGCIABESA-M,"InChI=1S/C22H32O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-19,21,23,25H,2,4,10-13,16H2,1H3,(H,26,27)/p-1/b7-5-,8-3-,9-6-,15-14+",[H]OC([H])(C(\[H])=C(/[H])C1([H])C([H])(O[H])C([H])([H])C(=O)C1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE6465,"17-Hydroxy-D4-Neuroprostane",C22H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6465,"",,,MNXM165543,,NaN,,,WGWLXYZABPWUEU-AZEUNIAMSA-M,"InChI=1S/C22H32O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-20,23-24H,2,4,10-13,16H2,1H3,(H,26,27)/p-1/b7-5-,8-3-,9-6-,15-14+/t17?,18-,19+,20?/m0/s1",[H]OC([H])(C(\[H])=C(/[H])[C@@]1([H])C(=O)C([H])([H])C([H])(O[H])[C@@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE6466,"20-Hydroxy-E4-Neuroprostane",C22H31O5,-1,0,0,,53481510,NaN,,"",,,,NaN,"",CE6466,"",,,MNXM35491,,NaN,,,BIHPRUQXOKWQGU-KBUBQVDUSA-M,"InChI=1S/C22H32O5/c1-2-17(23)14-15-19-18(20(24)16-21(19)25)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-19,21,23,25H,2,5-6,11-13,16H2,1H3,(H,26,27)/p-1/b4-3-,9-7-,10-8-,15-14+",[H]OC([H])(C(\[H])=C(/[H])C1([H])C([H])(O[H])C([H])([H])C(=O)C1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])[H]
CE6467,"20-Hydroxy-D4-Neuroprostane",C22H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE6467,"",,,MNXM166019,,NaN,,,FUDAOIJHCQWTIE-LXOMGHNTSA-M,"InChI=1S/C22H32O5/c1-2-17(23)14-15-19-18(20(24)16-21(19)25)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-20,23-24H,2,5-6,11-13,16H2,1H3,(H,26,27)/p-1/b4-3-,9-7-,10-8-,15-14+/t17?,18-,19+,20?/m0/s1",[H]OC([H])(C(\[H])=C(/[H])[C@@]1([H])C(=O)C([H])([H])C([H])(O[H])[C@@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])[H]
CE6502,"9,10-12,13-Diepoxy-Octadecanoate",C18H31O4,-1,0,0,,18172,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LAIUZQCFIABNDP-UHFFFAOYSA-M,"InChI=1S/C18H32O4/c1-2-3-7-10-14-16(21-14)13-17-15(22-17)11-8-5-4-6-9-12-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])OC1([H])C([H])([H])C1([H])OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE6504,"1-Hydroperoxy-8-Carboxyoctyl 3,4-Epoxynon-(2E)-Enyl Ether",C18H31O6,-1,0,0,,NaN,NaN,,"",,CE6504,,NaN,"",CE6504,"",,,MNXM164037,,NaN,,,UPKSZTNLXJIVNV-DTQAZKPQSA-N,"InChI=1S/C18H32O6/c1-2-3-7-10-15-16(23-15)13-14-22-18(24-21)12-9-6-4-5-8-11-17(19)20/h13,15,18,21H,2-12,14H2,1H3,(H,19,20)/b16-13+",[H]OOC([H])(OC([H])([H])C(\[H])=C1\OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H]
CE6506,"3,4-Epoxynonanal",C9H16O2,0,0,0,,NaN,NaN,,"",,CE6506,,NaN,"",CE6506,"",,,MNXM150783,,NaN,,,HEXGZHJMMROIQO-UHFFFAOYSA-N,"InChI=1S/C9H16O2/c1-2-3-4-5-8-9(11-8)6-7-10/h7-9H,2-6H2,1H3",[H]C(=O)C([H])([H])C1([H])OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE6508,"5-Hydroperoxy-Epa",C20H29O4,-1,0,0,,NaN,NaN,,"",,CE6508,,NaN,"",CE6508,"",,,MNXM163212,,NaN,,,NKXYOIJDQPQELO-UHFFFAOYSA-M,"InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h3-4,6-7,9-10,12-14,16,19,23H,2,5,8,11,15,17-18H2,1H3,(H,21,22)/p-1",[H]OOC([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE6583,"N-Retinylidene-Alpha-Phosphatidylethanolamine",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
CE6584,"N-Retinylidene-N-Retinyl-Alpha-Phosphatidylethanolamine",X,0,0,0,,NaN,71980,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
CE6585,"Dihydro-A2PE",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
CE7047,"Gama-Tocopheroxyl Radical",C28H47O2,0,0,0,,NaN,NaN,,"",,CE7047,,NaN,"",CE7047,"",,,MNXM164787,,NaN,,,LBDXFUVWQHFODO-OHCBOFHFSA-N,"InChI=1S/C28H47O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22H,8-18H2,1-7H3/t21-,22-,28?/m0/s1",[H]C1=C2[C](OC(C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2([H])[H])C(=C(C1=O)C([H])([H])[H])C([H])([H])[H]
CE7072,"13'-Carboxy-Gama-Tocotrienol",C28H39O4,-1,0,0,,53481464,NaN,,"",,,,NaN,"",CE7072,"",,,MNXM164056,,NaN,,,UJMZKOBSLDXUHY-YQHRJHOASA-M,"InChI=1S/C28H40O4/c1-19(12-8-14-21(3)27(30)31)10-7-11-20(2)13-9-16-28(6)17-15-24-18-25(29)22(4)23(5)26(24)32-28/h10,13-14,18,29H,7-9,11-12,15-17H2,1-6H3,(H,30,31)/p-1/b19-10+,20-13+,21-14+/t28-/m1/s1",[H]OC1=C(C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([O-])=O)C([H])([H])[H])C([H])([H])C([H])([H])C2=C1[H])C([H])([H])[H])C([H])([H])[H]
CE7074,"13'-Hydroxy-gamma-tocotrienol",C28H42O3,0,426.6313,426.3133952,,53481468,NaN,HMDB0012562,"",,,FDB029128,NaN,"",CE7074,"",,,MNXM164057,,NaN,,,BUWYMGRHXZROTQ-XYSSNJNPSA-N,"InChI=1S/C28H42O3/c1-20(12-8-13-22(3)19-29)10-7-11-21(2)14-9-16-28(6)17-15-25-18-26(30)23(4)24(5)27(25)31-28/h10,13-14,18,29-30H,7-9,11-12,15-17,19H2,1-6H3/b20-10+,21-14+,22-13+/t28-/m0/s1",[H]OC1=C(C(=C2O[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C2=C1[H])C([H])([H])[H])C([H])([H])[H]
CE7079,"Leukotriene A5",C20H27O3,-1,0,0,,NaN,NaN,,"",,CE7079,,NaN,"",CE7079,"",,,MNXM163421,,NaN,,,UPGVTUHMXWZYBQ-PCKPGGNRSA-M,"InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h3-4,6-7,9-13,15,18-19H,2,5,8,14,16-17H2,1H3,(H,21,22)/p-1/b4-3+,7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1",[H]/C(=C(/[H])\C(\[H])=C(/[H])[C@]1([H])O[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)/C(/[H])=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE7081,"15R-Hydroxy-5Z,8Z,11Z,13E,17Z-Eicosapentaenoic Acid",C20H29O3,-1,0,0,,53480357,NaN,,"",,CE7081,,NaN,"",CE7081,"",,,MNXM33481,,NaN,,,UDXLGBLAJBYLSZ-VDZNYAFISA-M,"InChI=1S/C20H30O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h3-5,8-12,14,16,19,21H,2,6-7,13,15,17-18H2,1H3,(H,22,23)/p-1/b5-4-,10-8-,11-9-,14-12?,16-3-",[H]OC([H])(C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE7082,"15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid",C20H29O3,0,318.457,318.2194948,,5283192,88347,HMDB0062296,"",,CE7082,,NaN,"",CE7082,"",,,MNXM33490,,NaN,,,WLKCSMCLEKGITB-DBVSHIMFSA-N,"InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE7083,"Leukotriene B5",C20H29O4,-1,0,0,,5283125,NaN,,"",,CE7083,,NaN,"",CE7083,"",,,MNXM59982,,NaN,,,BISQPGCQOHLHQK-HDNPQISLSA-M,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/p-1/b4-3-,8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1",[H]O[C@@]([H])(C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE7084,"5,12-Dihydroxy-6E-Ltb5",C20H29O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE7084,"",,,MNXM166518,,NaN,,,BISQPGCQOHLHQK-TVSPXJJMSA-M,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/p-1/b4-3-,8-7-,9-6-,14-10-,15-11-/t18-,19-/m0/s1",[H]O[C@]([H])(C(\[H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE7085,"(+-)-5-Hydroxy-6E,8Z,11Z,14Z,17Z-Eicosapentaenoic Acid",C20H29O3,-1,0,0,,1766,NaN,,"",,CE7085,,NaN,"",CE7085,"",,,MNXM163687,,NaN,,,FTAGQROYQYQRHF-FCWZHQICSA-M,"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/p-1/b4-3-,7-6-,10-9-,13-12-,16-14+",[H]OC([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE7086,"Leukotriene C5",C30H43N3O9S,-2,0,0,,53481570,NaN,,"",,,,NaN,"",CE7086,"",,,MNXM59983,,NaN,,,OSBTVMNXIHRFGN-KERZFGRDSA-L,"InChI=1S/C30H45N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h3-4,6-7,9-13,16,22-25,34H,2,5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/p-2/b4-3-,7-6-,10-9-,12-11+,16-13+/t22-,23+,24+,25-/m1/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE7087,"Leukotriene D5",C25H37N2O6S,-1,0,0,,53481571,NaN,,"",,,,NaN,"",CE7087,"",,,MNXM59985,,NaN,,,RWLDHKGRPLNPBN-DSJHTHEWSA-M,"InChI=1S/C25H38N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h3-4,6-7,9-13,16,20-22,28H,2,5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/p-1/b4-3-,7-6-,10-9-,12-11+,16-13+/t20-,21+,22-/m0/s1",[H]O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@@]([H])(SC([H])([H])[C@@]([H])(C(=O)N([H])C([H])([H])C([O-])=O)[N+]([H])([H])[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE7088,"Prostaglandin H3",C20H29O5,-1,0,0,,53481592,NaN,,"",,CE7088,,NaN,"",CE7088,"",,,MNXM74716,,NaN,,,PVTQTOGPOPGQGE-SQJQFECVSA-M,"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h3-4,6-7,12-13,15-19,21H,2,5,8-11,14H2,1H3,(H,22,23)/p-1/b6-3-,7-4+,13-12-/t15-,16-,17-,18+,19-/m1/s1",[H]O[C@@]([H])(C([H])=C([H])[C@@]1([H])[C@]2([H])OO[C@@]([H])(C2([H])[H])[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE7090,"18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid",C20H29O3,-1,318.457,318.2194948,C18177,16061126,81563,HMDB0062222,"",,CE7090,,NaN,"",CE7090,"",,,MNXM33782,,NaN,,,LRWYBGFSVUBWMO-UAAZXLHOSA-M,"InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/p-1/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m1/s1",[H]O[C@@]([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])[H]
CE7091,"15(S)-Hydroperoxy-Epe",C20H29O4,-1,0,0,,NaN,NaN,,"",,CE7091,,NaN,"",CE7091,"",,,MNXM34762,,NaN,,,FPMFSFWYWZLDKP-LJQANCHMSA-M,"InChI=1S/C20H30O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h3-5,8-11,13-14,17,19,23H,2,6-7,12,15-16,18H2,1H3,(H,21,22)/p-1/t19-/m1/s1",[H]OO[C@@]([H])(C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H]
CE7096,"5,15-Dihydroxyeicosatetraenoic Acid",C20H31O4,-1,0,0,,5283158,NaN,,"",CE7096,CE7096,,NaN,"",CE7096,"",,,MNXM164329,,NaN,,,UXGXCGPWGSUMNI-XOFJEIAFSA-M,"InChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/p-1/b7-5-,8-6-,14-10?,15-11+/t18-,19+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE7097,"5-Oxo-12(S)-Hydroxy-Eicosa-6E,8Z,10E,14Z-Tetraenoate",C20H29O4,-1,0,0,,NaN,NaN,,"",CE7097,CE7097,,NaN,"",CE7097,"",,,MNXM162741,,NaN,,,MLZJFLKEKVDNAZ-SFHVURJKSA-M,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/p-1/t18-/m0/s1",[H]O[C@]([H])(C([H])=C([H])C([H])=C([H])C([H])=C([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
CE7101,"8Alpha-Hydroxy-Gama-Tocopherone",C28H48O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",CE7101,"",,,MNXM151611,,NaN,,,CSHBKBJSGSRKLB-MPPVQRIUSA-N,"InChI=1S/C28H48O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-27(7)18-16-25-19-26(29)23(5)24(6)28(25,30)31-27/h19-22,30H,8-18H2,1-7H3/t21-,22-,27-,28-/m0/s1",[H]O[C@@]12O[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])C(=O)C(=C2C([H])([H])[H])C([H])([H])[H]
CE7109,"5(S),6(S)-Epoxy-15(R)-HEPE",C20H27O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE7109,"",,,MNXM162636,,NaN,,,YEBHLCFHJVBPBN-MYSKJJLHSA-M,"InChI=1S/C20H28O4/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18-19(24-18)15-11-16-20(22)23/h3-10,13-14,17-19,21H,2,11-12,15-16H2,1H3,(H,22,23)/p-1/b6-4?,7-5?,8-3?,13-9?,14-10+/t17-,18+,19-/m0/s1",[H]O[C@]([H])(C([H])=C([H])C([H])=C([H])C([H])=C([H])C(\[H])=C(/[H])[C@@]1([H])O[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H]
CE7110,"5,6-Epoxy,18R-HEPE",C20H27O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE7110,"",,,MNXM163684,,NaN,,,ZPAJZAMPZXISSE-ZQMVCERVSA-M,"InChI=1S/C20H28O4/c1-2-17(21)13-10-8-6-4-3-5-7-9-11-14-18-19(24-18)15-12-16-20(22)23/h3,5-11,13-14,17-19,21H,2,4,12,15-16H2,1H3,(H,22,23)/p-1/b5-3+,8-6-,9-7+,13-10+,14-11+",[H]OC([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C1([H])OC1([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])[H]
CE7111,"5-Oxo-EPE",C20H27O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE7111,"",,,MNXM164348,,NaN,,,KVLNCELNGBMHDX-UHFFFAOYSA-M,"InChI=1S/C20H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/p-1",[H]C(C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H])=C([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE7112,"15-Epi-Lipoxin A5",C20H29O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE7112,"",,,MNXM163647,,NaN,,,CBOMORHDRONZRN-LVJYDSGRSA-M,"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/p-1/b6-3?,7-4?,13-12+/t15-,16+,17+,19+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])[C@]([H])(O[H])C([H])([H])C(=O)[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H]
CE7113,"15-Epi-Lipoxin B5",C20H29O5,-1,0,0,,53481476,NaN,,"",,,,NaN,"",CE7113,"",,,MNXM33429,,NaN,,,VLLDKSJDBRLUOY-BYNRNTBMSA-M,"InChI=1S/C20H30O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h3-10,12,15,17-19,21-23H,2,11,13-14,16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,8-3-,12-9?,15-10+/t17-,18+,19+/m0/s1",[H]O[C@@]([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE7114,"5,12,18R-TriHEPE",C20H29O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE7114,"",,,MNXM166517,,NaN,,,AOPOCGPBAIARAV-ONFPHFCFSA-M,"InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/p-1/b4-3-,9-5?,11-8?,12-6?,13-7+/t17-,18-,19+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])[H]
CE7115,"20-Hydroxy-Leukotriene B5",C20H29O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",CE7115,"",,,MNXM164164,,NaN,,,HWTDXMKSMSSMRU-RNHTUMNMSA-M,"InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h2-9,13-14,18-19,21-23H,1,10-12,15-17H2,(H,24,25)/p-1/b5-4+,6-2-,7-3-,13-8?,14-9-/t18-,19-/m1/s1",[H]OC([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@@]([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
CE7122,"Alpha-Tocotrienoxyl Radical",C29H43O2,0,0,0,,NaN,NaN,,"",CE7122,,,NaN,"",,"",,,,,NaN,,,LALWPXWRMGORIU-KTWAZNHYSA-N,"InChI=1S/C29H43O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C1(O[C]2C(=C(C(=O)C(=C2C([H])([H])C1([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
CE7144,"13'-Hydroxy-alpha-tocotrienol",C29H44O3,0,440.6579,440.3290453,,53481466,NaN,HMDB0012560,"",CE7144,,FDB029126,NaN,"",CE7144,"",,,MNXM33318,,NaN,,,OQCXIVSCFNNFEE-QFLITSPGSA-N,"InChI=1S/C29H44O3/c1-20(13-9-14-22(3)19-30)11-8-12-21(2)15-10-17-29(7)18-16-26-25(6)27(31)23(4)24(5)28(26)32-29/h11,14-15,30-31H,8-10,12-13,16-19H2,1-7H3/b20-11+,21-15-,22-14-/t29-/m1/s1",[H]OC1=C(C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C2=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE7145,"13'-Carboxy-Alpha-Tocotrienol",C29H41O4,-1,0,0,,53481462,NaN,,"",CE7145,,,NaN,"",CE7145,"",,,MNXM33314,,NaN,,,CBMCFKYSTHHHCC-QZDMETRGSA-M,"InChI=1S/C29H42O4/c1-19(13-9-15-21(3)28(31)32)11-8-12-20(2)14-10-17-29(7)18-16-25-24(6)26(30)22(4)23(5)27(25)33-29/h11,14-15,30H,8-10,12-13,16-18H2,1-7H3,(H,31,32)/p-1/b19-11-,20-14-,21-15+/t29-/m1/s1",[H]OC1=C(C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([O-])=O)C([H])([H])[H])C([H])([H])C([H])([H])C2=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CE7172,"14,15-Dihete",C20H31O4,-1,0,0,,188277,NaN,,"",CE7172,CE7172,,NaN,"",CE7172,"",,,MNXM33360,,NaN,,,BLWCDFIELVFRJY-QXBXTPPVSA-M,"InChI=1S/C20H32O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18-19,21-22H,2,5,8,11,14-17H2,1H3,(H,23,24)/p-1/b6-4-,9-7-,12-3-,13-10-",[H]OC([H])(C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
CE7218,"S-[2-Carboxy-1-(1H-Imidazol-4-Yl)Ethyl]-3-Thiolactate",C9H10N2O5S,-2,0,0,,192636,NaN,,"",,,,NaN,"",CE7218,"",,,MNXM169049,,NaN,,,SRMWPLGMMNSTOE-UHFFFAOYSA-L,"InChI=1S/C9H12N2O5S/c12-6(9(15)16)3-17-7(1-8(13)14)5-2-10-4-11-5/h2,4,6-7,12H,1,3H2,(H,10,11)(H,13,14)(H,15,16)/p-2",[H]OC([H])(C([O-])=O)C([H])([H])SC([H])(C1=C([H])N=C([H])N1[H])C([H])([H])C([O-])=O
CE7220,"S-[2-Carboxy-1-(1H-Imidazol-4-Yl)Ethyl]Glutathione",C16H21N5O8S,-2,0,0,,NaN,NaN,,"",CE7220,,,NaN,"",CE7220,"",,,MNXM169050,,NaN,,,GAVRWBMQPWMOGY-TZIJJQLOSA-L,"InChI=1S/C16H23N5O8S/c17-8(16(28)29)1-2-12(22)21-10(15(27)19-5-14(25)26)6-30-11(3-13(23)24)9-4-18-7-20-9/h4,7-8,10-11H,1-3,5-6,17H2,(H,18,20)(H,19,27)(H,21,22)(H,23,24)(H,25,26)(H,28,29)/p-2/t8-,10-,11?/m1/s1",[H]OC(=O)C([H])([H])N=C(O[H])[C@]([H])(N=C([O-])C([H])([H])C([H])([H])[C@@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC([H])(C1=C([H])N=C([H])N1[H])C([H])([H])C([O-])=O
CE7228,"13-Hydroxy-5Z,8Z,11Z,14Z-Eicosatetraenoate",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
CE7231,"7-HETE",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cechddd,"Cis-3-(3-carboxyethyl)-3,5-cyclohexadiene-1,2-diol",C9H11O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",cechddd,"",,cpd08405,MNXM1636,,NaN,,,,"",
cellb,"Cellobiose",C12H22O11,0,0,0,,NaN,NaN,HMDB0000055,"",,,,NaN,"",cellb,"",,cpd00158,MNXM1142,,NaN,,,,"",
cellul,"Cellulose, chain length 500 glc_D assumed, DOI: 10.1002/anie.200460587",C3000H5002O2501,0,0,0,G10481,53477911,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cenchddd,"Cis-3-(3-carboxyethenyl)-3,5-cyclohexadiene-1,2-diol",C9H9O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",cenchddd,"",,cpd09253,MNXM2161,,NaN,,,,"",
cfesp,"Corrinoid Iron sulfur protein",C19CoN4R21,0,0,0,C06021,NaN,NaN,,"",,,,NaN,"",cfesp,"",,,MNXM148165,,NaN,,,,"",
cgly,"Cysteinylglycine",C5H10N2O3S,0,178.21,178.0412129,C01419,439498,4047,HMDB0000078,"CysGly",cgly,cgly,FDB021891,388596,"GLUTATHIONE",cgly,"",,cpd01017,MNXM683,,5134,19246-18-5,,ZUKPVRWZDMRIEO-VKHMYHEASA-N,"InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1",[H]SC([H])([H])[C@@]([H])(C(=O)N([H])C([H])([H])C([O-])=O)[N+]([H])([H])[H]
ch4,"Methane",CH4,0,16.0425,16.03130013,C01438,297,16183,HMDB0002714,"",,,FDB023051,291,"CH4",ch4,"Methane",DBMET00554,cpd01024,MNXM714,,3190,74-82-8,DTXSID8025545,VNWKTOKETHGBQD-UHFFFAOYSA-N,"InChI=1S/CH4/h1H4",
ch4s,"Methanethiol",CH4S,0,48.107,48.00337082,C00409,878,16007,HMDB0003227,"",,,FDB011886,855,"METHANETHIOL",ch4s,"Methanethiol",,cpd00324,MNXM652,C00001258,3204,74-93-1,DTXSID5026382,LSDPWZHWYPCBBB-UHFFFAOYSA-N,"InChI=1S/CH4S/c1-2/h2H,1H3",[H]SC([H])([H])[H]
chito2pdol_L,"N,N'-Diacetylchitobiosyldiphosphodolichol",C1240H2028N20O170P20,-20,780.6461,780.2483005,C04537,22833564,NaN,HMDB0001196,"",chito2pdol_L,,FDB022482,17216085,"NN-DIACETYLCHITOBIOSYLDIPHOSPHODOLICHO",chito2pdol__L,"",,,MNXM148361,,NaN,,,QBRZRKKUHJLMCY-HRUJLXCPSA-L,"InChI=1S/C41H72N2O17P2/c1-25(2)13-9-14-26(3)15-10-16-27(4)17-11-18-28(5)19-12-20-29(6)21-22-55-61(51,52)60-62(53,54)59-41-35(43-31(8)47)38(50)39(33(24-45)57-41)58-40-34(42-30(7)46)37(49)36(48)32(23-44)56-40/h13,15,17,19,29,32-41,44-45,48-50H,9-12,14,16,18,20-24H2,1-8H3,(H,42,46)(H,43,47)(H,51,52)(H,53,54)/p-2/b26-15+,27-17+,28-19-/t29?,32-,33-,34-,35-,36-,37-,38-,39-,40+,41-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
chito2pdol_U,"N,N-Diacetylchitobiosyldiphosphodolichol, Human Uterine Homolog",C1185H1940N20O170P20,-20,0,0,,NaN,NaN,,"",chito2pdol_U,,,NaN,"",chito2pdol_U,"",,,MNXM12324,,NaN,,,QBRZRKKUHJLMCY-HRUJLXCPSA-L,"InChI=1S/C41H72N2O17P2/c1-25(2)13-9-14-26(3)15-10-16-27(4)17-11-18-28(5)19-12-20-29(6)21-22-55-61(51,52)60-62(53,54)59-41-35(43-31(8)47)38(50)39(33(24-45)57-41)58-40-34(42-30(7)46)37(49)36(48)32(23-44)56-40/h13,15,17,19,29,32-41,44-45,48-50H,9-12,14,16,18,20-24H2,1-8H3,(H,42,46)(H,43,47)(H,51,52)(H,53,54)/p-2/b26-15+,27-17+,28-19-/t29?,32-,33-,34-,35-,36-,37-,38-,39-,40+,41-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
chloropha,"Chlorophyll a",C55H71N4O5Mg,0,0,0,,NaN,NaN,HMDB0038578,"",,,,NaN,"",,"",,cpd03148,,,NaN,,,,"",
chlphyllide,"Chlorophyllide",C35H33N4O5Mg,0,0,0,,NaN,NaN,HMDB0031147,"",,,,NaN,"",,"",,cpd01449,,,NaN,,,,"",
chlstol,"5a-Cholesta-7,24-dien-3b-ol",C27H44O,0,384.6377,384.339216,C05439,440670,16290,HMDB0006842,"",chlstol,chlstol,FDB024115,389550,"5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL",chlstol,"",,,MNXM162749,,5928,651-54-7,,PKEPPDGGTSZLBL-SKCNUYALSA-N,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,10,19-21,23-25,28H,6,8-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]3([H])C(=C([H])C([H])([H])[C@@]2([H])C1([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H]
chol,"Choline",C5H14NO,1,104.1708,104.1075391,C00114,305,15354,HMDB0000097,"",chol,chol,FDB000710,299,"CPD-563",chol,"Choline",DB00122,cpd00098,MNXM90,C00007298,56,62-49-7,DTXSID8043789,OEYIOHPDSNJKLS-UHFFFAOYSA-N,"InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1",[H]OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
cholate,"Cholic acid",C24H39O5,-1,408.5714,408.2875744,C00695,221493,16359,HMDB0000619,"",cholate,cholate,FDB012810,192176,"",cholate,"Cholic acid",DB02659,cpd00526,MNXM450,C00050558,206,81-25-4,DTXSID6040660,BHQCQFFYRZLCQQ-OELDTZBJSA-M,"InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C1([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)[C@@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]21[H]
cholcoa,"Choloyl-CoA",C45H70N7O20P3S,-4,1158.09,1157.392218,C01794,439573,15519,HMDB0001374,"",cholcoa,cholcoa,FDB022586,388658,"CPD-202",cholcoa,"",,cpd01237,MNXM162468,,6597,,,ZKWNOTQHFKYUNU-JGCIYWTLSA-J,"InChI=1S/C45H74N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68-19-30-37(71-73(61,62)63)36(58)42(70-30)52-22-51-35-39(46)49-21-50-40(35)52/h21-31,34,36-38,42,53-55,58-59H,6-20H2,1-5H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/p-4/t23-,24+,25-,26-,27+,28+,29-,30-,31+,34+,36-,37-,38+,42-,44+,45-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
cholcoads,"3a,7a,12a-Trihydroxy-5b-cholest-24-enoyl-CoA",C48H74N7O20P3S,-4,1198.154,1197.423518,C05460,5280797,27505,HMDB0006889,"",cholcoads,cholcoads,FDB024136,4444355,"",cholcoads,"",,,MNXM162945,,NaN,,,QVDPWQVOSKJUES-SQEGORTJSA-J,"InChI=1S/C48H78N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h9,23-25,27-34,36,38-40,44,56-58,60-61H,7-8,10-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/p-4/t25-,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(=C([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
cholcoaone,"3a,7a,12a-Trihydroxy-5b-24-oxocholestanoyl-CoA",C48H74N7O21P3S,-4,0,0,C05467,440690,27379,HMDB0006891,"",cholcoaone,cholcoaone,FDB024138,389566,"",cholcoaone,"",,cpd03248,MNXM162946,,NaN,,,AWLXQJGPNLCTLM-YFXOTMPNSA-J,"InChI=1S/C48H78N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-30,32-34,36,38-40,44,56,58-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/p-4/t24-,25?,26+,27-,28-,29+,30+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
cholcoar,"(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA",C48H76N7O20P3S,-4,1200.17,1199.439168,C15613,15942889,37642,HMDB0060305,"",cholcoar,cholcoar,,13085542,"",cholcoar,"",,,MNXM91096,,NaN,,,MNYDLIUNNOCPHG-FJWDCHQMSA-J,"InChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/p-4/t25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
cholcoas,"(25S)-3Alpha,7Alpha,12Alpha-Trihydroxy-5Beta-Cholestan-26-Oyl Coenzyme A",C48H76N7O20P3S,-4,0,0,C17343,15942888,37643,,"",cholcoas,cholcoas,,NaN,"",cholcoas,"",,,MNXM8131,,NaN,,,MNYDLIUNNOCPHG-TUTZYBGQSA-J,"InChI=1S/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-33-39(74-76(64,65)66)38(60)44(73-33)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/p-4/t25-,26?,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
cholp,"Phosphorylcholine",C5H13NO4P,-1,184.1507,184.0738695,C00588,1014,18132,HMDB0001565,"",cholp,cholp,FDB022692,989,"PHOSPHORYL-CHOLINE",cholp,"Phosphorylcholine",,cpd00457,MNXM229,,6326,,,YHHSONZFOIEMCP-UHFFFAOYSA-M,"InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])OP([O-])([O-])=O
chols,"Choline sulfate",C5H13NO4S,0,0,0,,NaN,NaN,,"",,,,NaN,"",chols,"",,cpd00681,MNXM1547,,NaN,,,,"",
chor,"Chorismate",C10H8O6,-2,0,0,C00251,12039,17333,HMDB0012199,"",,,FDB028846,11542,"CPD-9517",chor,"Chorismic_acid",,cpd00216,MNXM337,C00000733,NaN,617-12-9,,,"",
chsterol,"Cholesterol",C27H46O,0,386.6535,386.3548661,C00187,11025495,1307929,HMDB0000067,"cholesterol",chsterol,chsterol,FDB013269,9200676,"CHOLESTEROL",chsterol,"Cholesterol",,cpd00160,MNXM103,C00003648,163,57-88-5,DTXSID3022401,HVYWMOMLDIMFJA-DPAQBDIFSA-N,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
chsterols,"Cholesterol sulfate",C27H45O4S,-1,466.717,466.3116807,C18043,65076,41321,HMDB0000653,"",chsterols,chsterols,FDB022164,58586,"",chsterols,"Cholesterol_sulfate",,,MNXM163781,,5625,1256-86-6,,BHYOQNUELFTYRT-DPAQBDIFSA-M,"InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/p-1/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",[H]C1=C2C([H])([H])[C@@]([H])(OS([O-])(=O)=O)C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]2([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
chtbs,"N,N-diacetylchitobiose",C16H28N2O11,0,0,0,,NaN,NaN,,"",,,,NaN,"",chtbs,"",,cpd01157,MNXM1680,,NaN,,,,"",
chtn,"Chitin",C24H41N3O16,0,0,0,,NaN,NaN,,"",chtn,chtn,,NaN,"",chtn,"",,,MNXM1271,,NaN,1398-61-4,DTXSID6037641,WZZVUHWLNMNWLW-VFCSDQTKSA-N,"InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
chylo_hs,"Chylomicron Lipoprotein",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cinnm,"Trans-Cinnamate",C9H7O2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",cinnm,"",,cpd00333,MNXM438,,NaN,,,,"",
cinnmcoa,"Trans-Cinnamyl-CoA",C30H38N7O17P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cit,"Citric acid",C6H5O7,-3,192.1235,192.0270026,C00158,311,30769,HMDB0000094,"",cit,cit,FDB012586,305,"CIT",cit,"Citric acid",DB04272,cpd00137,MNXM131,C00007619,124,77-92-9,DTXSID3020332,KRKNYBCHXYNGOX-UHFFFAOYSA-K,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3",[H]OC(C([O-])=O)(C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
Cit_Mg,"Citrate-Mg",C6H5O7Mg,-1,0,0,,NaN,NaN,,"",,,,NaN,"",Cit_Mg,"",,cpd16062,MNXM93259,,NaN,,,,"",
citmal,"(S)-Citramalate",C5H6O5,-2,0,0,,NaN,NaN,HMDB0000426,"",,,,NaN,"",,"",,cpd01701,,,NaN,,,,"",
citmcoa_L,"L-Citramalyl-CoA",C26H37N7O20P3S,-5,897.633,897.141817,C01011,53477827,NaN,HMDB0006345,"",citmcoa_L,citmcoa_L,FDB023897,NaN,"",citmcoa__L,"",,cpd00743,MNXM163785,,NaN,,,XYGOWHUIVNMEIA-XBVYHAPZSA-I,"InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/p-5/t13-,17-,18-,19+,23-,26+/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@](O[H])(C([O-])=O)C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
citr_L,"Citrulline",C6H13N3O3,0,175.188,0,C00327,9750,16349,HMDB0000904,"",citr_L,citr_L,FDB011841,9367,"L-CITRULLINE",citr__L,"Citrulline",DB00155,cpd00274,MNXM211,C00001348,16,372-75-8,DTXSID80883373,RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",[H]N([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
ckdo,"CMP-3-deoxy-D-manno-octulosonate",C17H24N3O15P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",ckdo,"",,cpd02546,MNXM535,,NaN,,,,"",
cl,"Chloride ion",Cl,-1,35.453,34.96885271,,24526,29311,HMDB0000492,"Cl-",cl,cl,FDB006557,4514529,"CL-",cl,"Chlorine",,cpd00099,MNXM43,,NaN,16887-00-6,DTXSID6043969,VEXZGXHMUGYJMC-UHFFFAOYSA-M,"InChI=1S/ClH/h1H/p-1",[Cl-]
clpn_hs,"Cardiolipin",C9H16O9P2FULLRCO2FULLR2CO2FULLRCO2FULLR2CO2,-2,0,0,,NaN,NaN,,"",clpn_hs,clpn_hs,,NaN,"",clpn_hs,"",,,MNXM16535,,NaN,,,,"",[H]OC([H])(C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O)C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O
clpn140,"Cardiolipin (tetratetradecanoyl, n-C14:0)",C65H124O17P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",clpn140,"",,cpd15792,MNXM83974,,NaN,,,,"",
clpn160,"Cardiolipin (tetrahexadecanoyl, n-C16:0)",C73H140O17P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",clpn160,"",,cpd15791,MNXM45654,,NaN,,,,"",
clpn180,"Cardiolipin (tetraoctadecanoyl, n-C18:0)",C81H156O17P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",clpn180,"",,cpd15793,MNXM5079,,NaN,,,,"",
clpnai15,"Cardiolipin (12-methyl-tetradecanoyl, anteiso-C15)",C69H132O17P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15798,,,NaN,,,,"",
clpnai17,"Cardiolipin (14-methyl-hexadecanoyl, anteiso-C17)",C77H148O17P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15795,,,NaN,,,,"",
clpnd,"Docosapentaenoic acid",C22H33O2,-1,330.5042,330.2558803,C16513,5497182,53488,HMDB0006528,"",clpnd,clpnd,FDB021831,4593750,"",clpnd,"clupanodonic acid",,cpd16301,MNXM11131,,194,,,YUFFSWGQGVEMMI-AVVVFXBPSA-M,"InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,10-9?,13-12-,16-15-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
clpndcoa,"Clupanodonyl CoA",C43H64N7O17P3S,-4,1075.991,1075.329224,,53477812,NaN,HMDB0006267,"",clpndcoa,clpndcoa,FDB023866,NaN,"",clpndcoa,"",,cpd14887,MNXM4529,,NaN,58346-00-2,,NDRVWKXEWNMEEO-IWPXNJMRSA-J,"InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4,7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17?/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
clpndcrn,"7Z,10Z,13Z,16Z,19Z-Docosapentaenoylcarnitine",C29H47NO4,0,0,0,,NaN,NaN,,"",clpndcrn,clpndcrn,,NaN,"",clpndcrn,"",,,MNXM8437,,NaN,,,AOSDFVDGMYPTHD-NQXOOMTHSA-N,"InChI=1S/C29H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,10-11,13-14,17-18,21-22,27H,5,8-9,12,15-16,19-20,23-26H2,1-4H3/b7-6+,11-10+,14-13+,18-17+,22-21+",[H]\C(=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
clpni14,"Cardiolipin (12-methyl-tridecanoyl, iso-C14)",C65H124O17P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15796,,,NaN,,,,"",
clpni15,"Cardiolipin (13-methyl-tetradecanoyl, iso-C15)",C69H132O17P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15797,,,NaN,,,,"",
clpni16,"Cardiolipin (14-methyl-pentadecanoyl, iso-C16)",C73H140O17P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15799,,,NaN,,,,"",
clpni17,"Cardiolipin (15-methyl-hexadecanoyl, iso-C17)",C77H148O17P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15794,,,NaN,,,,"",
cmp,"Cytidine monophosphate",C9H12N3O8P,-2,323.1965,323.051851,C00055,6131,17361,HMDB0000095,"",cmp,cmp,FDB011882,5901,"CMP",cmp,"Cytidine monophosphate",,cpd00046,MNXM31,C00050422,5143,63-37-6,DTXSID50889322,IERHLVCPSMICTF-XVFCMESISA-L,"InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=C([H])C(=NC1=O)N([H])[H]
cmp2amep,"CMP-2-aminoethylphosphonate",C11H19N4O10P2,-1,430.2448,430.0654659,C05673,440754,NaN,HMDB0060067,"",,,,389624,"",cmp2amep,"",,cpd03379,MNXM91146,,NaN,,,FBADRUOBFLBKJQ-PEBGCTIMSA-M,"InChI=1S/C11H20N4O10P2/c12-2-4-26(19,20)25-27(21,22)23-5-6-8(16)9(17)10(24-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/p-1/t6-,8-,9-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)C([H])([H])C([H])([H])[N+]([H])([H])[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=NC1=O)N([H])[H]
cmpacna,"Cytidine monophosphate N-acetylneuraminic acid",C20H29N4O16P,-2,614.4511,614.1472675,C00128,448209,16556,HMDB0001176,"",cmpacna,cmpacna,FDB022466,395082,"CMP-N-ACETYL-NEURAMINATE",cmpacna,"",,cpd00112,MNXM141,,6057,,,TXCIAUNLDRJGJZ-BILDWYJOSA-L,"InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/p-2/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[C@](OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=NC3=O)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
cmpntm2amep,"CMP-N-trimethyl-2-aminoethylphosphonate",C14H25N4O10P2,-1,473.3325,473.1202411,C05674,440755,3281,HMDB0060072,"",,,,389625,"",cmpntm2amep,"",,,MNXM91517,,NaN,,,RNUGPSIGKYHQNQ-OJAKKHQRSA-M,"InChI=1S/C14H26N4O10P2/c1-18(2,3)6-7-29(22,23)28-30(24,25)26-8-9-11(19)12(20)13(27-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/p-1/t9-,11-,12-,13-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=NC1=O)N([H])[H]
cmusa,"2-Amino-3-carboxymuconic acid semialdehyde",C7H6NO5,-1,185.1342,185.0324223,C04409,5280673,995,HMDB0001330,"",cmusa,cmusa,FDB022559,4444266,"2-AMINO-3-CARBOXYMUCONATE_SEMIAL",cmusa,"",,cpd02692,MNXM1372,,6165,16597-58-3,DTXSID10274255,KACPVQQHDVBVFC-OIFXTYEKSA-M,"InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/p-1/b2-1-,5-4-",[H]C(=O)C(\[H])=C(\[H])/C(/C([O-])=O)=C(\C([O-])=O)[N+]([H])([H])[H]
CN0009,"Benzo[A]Pyrene-2,3-Diol",C20H14O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",CN0009,"",,,MNXM163759,,NaN,,,,"",
CN0010,"Benzo[A]Pyrene-4,5-Diol",C20H12O2,0,284.3139954,284.0837296,,NaN,NaN,,"",,,,NaN,"",CN0010,"",,,MNXM163760,,NaN,57304-00-4,DTXSID10205928,AFDHSXYOTGMEAP-UHFFFAOYSA-N,"InChI=1S/C20H12O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,21-22H",[H]OC1=C(O[H])C2=C3C(C([H])=C([H])C4=C3C1=C([H])C1=C4C([H])=C([H])C([H])=C1[H])=C([H])C([H])=C2[H]
CN0011,"Benzo[A]Pyrene-9,10-Diol",C20H12O2,0,284.3139954,284.0837296,,NaN,NaN,,"",,,,NaN,"",CN0011,"",,,MNXM163761,,NaN,57303-98-7,DTXSID90205926,UMJIZEKULDXYAK-UHFFFAOYSA-N,"InChI=1S/C20H12O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,21-22H",[H]OC1=C(O[H])C2=C(C([H])=C1[H])C([H])=C1C([H])=C([H])C3=C4C(C([H])=C([H])C2=C14)=C([H])C([H])=C3[H]
CN0012,"Benzo[A]Pyrene-2,3-Oxide",C20H12O,0,0,0,,NaN,NaN,,"",,,,NaN,"",CN0012,"",,,MNXM162933,,NaN,,,HIWUMYIKMBIYMX-UHFFFAOYSA-N,"InChI=1S/C20H12O/c1-2-4-14-11(3-1)9-12-6-8-16-19-13(10-17-20(16)21-17)5-7-15(14)18(12)19/h1-10,17,20H",[H]C1=C([H])C2=C(C([H])=C1[H])C1=C3C(C([H])=C([H])C4=C3C(C([H])=C1[H])=C([H])C1([H])OC41[H])=C2[H]
CN0016,"Dibenzo[a,l]pyrene",C24H14,0,302.368,302.1095504,,NaN,35861,HMDB0060116,"",,,,NaN,"",CN0016,"",,,MNXM50427,,NaN,,DTXSID9059753,JNTHRSHGARDABO-UHFFFAOYSA-N,"InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H",[H]C1=C([H])C([H])=C2C(=C1[H])C([H])=C1C([H])=C([H])C3=C([H])C([H])=C([H])C4=C3C1=C2C1=C([H])C([H])=C([H])C([H])=C41
CN0017,"Dibenzo[A,L]Pyrene-11,12-Epoxide",C24H14O,0,0,0,,NaN,NaN,,"",,,,NaN,"",CN0017,"",,,MNXM162957,,NaN,,,JQVOOYGHXVJTHM-UHFFFAOYSA-N,"InChI=1S/C24H14O/c1-2-6-17-15(5-1)16-7-3-4-13-8-9-14-12-19-18(10-11-20-24(19)25-20)23(17)22(14)21(13)16/h1-12,20,24H",[H]C1=C([H])C2=C(C([H])=C1[H])C1=C3C(C([H])=C([H])C4=C3C2=C([H])C([H])=C4[H])=C([H])C2=C1C([H])=C([H])C1([H])OC21[H]
CN0018,"Dibenzo[A,L]Pyrene-11,12-Diol",C24H16O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",CN0018,"",,,MNXM162956,,NaN,,,WRVXSEQFNZZEJV-HYBUGGRVSA-N,"InChI=1S/C24H16O2/c25-20-11-10-18-19(24(20)26)12-14-9-8-13-4-3-7-16-15-5-1-2-6-17(15)23(18)22(14)21(13)16/h1-12,20,24-26H/t20-,24-/m1/s1",[H]O[C@]1([H])C([H])=C([H])C2=C(C([H])=C3C([H])=C([H])C4=C5C(=C([H])C([H])=C4[H])C4=C(C([H])=C([H])C([H])=C4[H])C2=C35)[C@@]1([H])O[H]
CN0019,"Dibenzo[A,L]Pyrene-11,12-Diol-13,14-Epoxide",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",CN0019,"",,,MNXM164731,,NaN,,,,"",
CN0020,"7,12-Dimethylbenz[a]anthracene",C20H16,0,256.348,256.1252005,C19488,6001,254496,HMDB0062429,"",,,,NaN,"",CN0020,"",,,MNXM8204,,NaN,57-97-6,DTXSID1020510,ARSRBNBHOADGJU-UHFFFAOYSA-N,"InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3",[H]C1=C([H])C([H])=C2C(C([H])=C([H])C3=C(C4=C([H])C([H])=C([H])C([H])=C4C(=C23)C([H])([H])[H])C([H])([H])[H])=C1[H]
CN0021,"7,12-Dimethylbenz[A]Anthracene-3,4-Oxide",C20H16O,0,0,0,,NaN,NaN,,"",,,,NaN,"",CN0021,"",,,MNXM162911,,NaN,,,UZKWBBZEYBCHIN-UHFFFAOYSA-N,"InChI=1S/C20H16O/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18-20(17)21-18/h3-10,18,20H,1-2H3",[H]C1=C([H])C([H])=C2C(=C1[H])C(=C1C([H])=C([H])C3=C(C([H])=C([H])C4([H])OC34[H])C1=C2C([H])([H])[H])C([H])([H])[H]
CN0022,"7,12-Dimethylbenz[A]Anthracene-3,4-Diol",C20H18O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",CN0022,"",,,MNXM162910,,NaN,,,YZIIKMBFHLJAFT-UHFFFAOYSA-N,"InChI=1S/C20H18O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,18,20-22H,1-2H3",[H]OC1([H])C([H])=C([H])C2=C(C([H])=C([H])C3=C(C4=C([H])C([H])=C([H])C([H])=C4C(=C23)C([H])([H])[H])C([H])([H])[H])C1([H])O[H]
CN0023,"7,12-Dimethylbenz[A]Anthracene-3,4-Diol-1,2-Epoxide",C20H18O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",CN0023,"",,,MNXM164384,,NaN,,,SZIWZGXOWBSPTO-UHFFFAOYSA-N,"InChI=1S/C20H18O3/c1-9-11-5-3-4-6-12(11)10(2)15-13(9)7-8-14-16(15)19-20(23-19)18(22)17(14)21/h3-8,17-22H,1-2H3",[H]OC1([H])C2=C(C3=C(C([H])=C2[H])C(=C2C([H])=C([H])C([H])=C([H])C2=C3C([H])([H])[H])C([H])([H])[H])C2([H])OC2([H])C1([H])O[H]
co,"Carbon monoxide",CO,0,28.01,27.99491462,C00237,281,17245,HMDB0001361,"",co,co,FDB022578,275,"",co,"Carbon monoxide",,cpd00204,MNXM10881,,NaN,630-08-0,DTXSID5027273,UGFAIRIUMAVXCW-UHFFFAOYSA-N,"InChI=1S/CO/c1-2",[C-]#[O+]
co1dam,"Cob(I)yrinate a,c diamide",C45H56CoN6O12,-5,936.932,936.3679466,C06505,NaN,28531,HMDB0006904,"",,,FDB024151,NaN,"",co1dam,"",,cpd03915,MNXM92189,,NaN,,,NKLHEMWEQJCPPF-YYYLUSCNSA-M,"",
co2,"Carbon dioxide",CO2,0,44.0095,43.98982924,C00011,280,16526,HMDB0001967,"CO2",co2,co2,FDB014084,274,"",co2,"Carbon Dioxide",DBMET00423,cpd00011,MNXM13,,3199,124-38-9,DTXSID4027028,CURLTUGMZLYLDI-UHFFFAOYSA-N,"InChI=1S/CO2/c2-1-3",O=C=O
co2dam,"Cob(II)yrinate a,c diamide",C45H56CoN6O12,-4,0,0,C06504,NaN,NaN,,"",,,,NaN,"",co2dam,"",,cpd03914,MNXM91520,,NaN,,,,"",
coa,"Coenzyme A",C21H32N7O16P3S,-4,767.534,767.1152084,C00010,6816,15346,HMDB0001423,"coenzyme A",coa,CoA,FDB022614,6557,"CO-A",coa,"Coenzyme A",DB01992,cpd00010,MNXM12,C00007258,6235,85-61-0,DTXSID9048302,RGJOEKWQDUBAIZ-IBOSZNHHSA-J,"InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/p-4/t11-,14-,15-,16+,20-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
cob,"Coenzyme B",C11H19NO7PS,-3,0,0,,NaN,NaN,,"",,,,NaN,"",cob,"",,cpd02817,MNXM921,,NaN,,,,"",
cobalt2,"Cobalt",Co,2,0,0,C00175,104729,48828,HMDB0000608,"",,,FDB003581,94546,"COBALT-FACTOR-III",cobalt2,"Cobalt",,cpd00149,MNXM90960,,NaN,,,,"",
cobya,"Cobyrinate",C45H52N4O14Co,-6,0,0,C05773,NaN,NaN,,"",,,,NaN,"",cobya,"",,cpd03421,MNXM92210,,NaN,,,,"",
codhpre6,"Cobalt-dihydro-precorrin 6",C44H47N4O16Co,-7,0,0,C11543,NaN,NaN,,"",,,,NaN,"",codhpre6,"",,,MNXM2653,,NaN,,,,"",
coF420,"Coenzyme F420",C29H34N5O18P,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
coF420h,"Reduced coenzyme F420",C29H36N5O18P,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
coke,"Cocaine",C17H21NO4,0,303.3529,303.1470582,C01416,446220,27958,HMDB0015043,"",coke,coke,,10194104,"",coke,"Cocaine",DB00907,,MNXM167466,C00002285,NaN,50-36-2,DTXSID2038443,ZPUCINDJVBIVPJ-LJISPDSOSA-N,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1",[H]C1=C([H])C([H])=C(C([H])=C1[H])C(=O)O[C@@]1([H])C([H])([H])[C@@]2([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])C2([H])[H])[C@@]1([H])C(=O)OC([H])([H])[H]
colipa,"Core oligosaccharide lipid A",C176H303N2O100P4,-11,0,0,,NaN,NaN,,"",,,,NaN,"",colipa,"",,cpd15432,MNXM47647,,NaN,,,,"",
com,"Mesna",C2H5O3S2,-1,142.197,141.9758354,C03576,598,17905,HMDB0003745,"",,,FDB023220,578,"CoM",com,"Coenzyme M",,cpd02246,MNXM399,,6978,3375-50-6,DTXSID8023264,ZNEWHQLOPFWXOF-UHFFFAOYSA-N,"InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)/p-1",
comSScob,"CoM-S-S-CoB",C13H22NO10PS3,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd02935,,,NaN,,,,"",
copre2,"Cobalt-precorrin 2",C42H38N4O16Co,-8,0,0,C11538,NaN,NaN,,"",,,,NaN,"",copre2,"",,cpd08368,MNXM1420,,NaN,,,,"",
copre3,"Cobalt-precorrin 3",C43H40N4O16Co,-8,0,0,C11539,NaN,NaN,,"",,,,NaN,"",copre3,"",,cpd08369,MNXM92204,,NaN,,,,"",
copre4,"Cobalt-precorrin 4",C44H43N4O16Co,-7,0,0,C11540,NaN,NaN,,"",,,,NaN,"",copre4,"",,cpd08370,MNXM2361,,NaN,,,,"",
copre5,"Cobalt-precorrin 5",C45H45N4O16Co,-7,0,0,C11541,NaN,NaN,,"",,,,NaN,"",copre5,"",,cpd08371,MNXM47436,,NaN,,,,"",
copre5b,"Cobalt-precorrin-5b",C43H42CoN4O16,-8,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd14960,,,NaN,,,,"",
copre6,"Cobalt-precorrin 6",C44H45N4O16Co,-7,0,0,C11542,NaN,NaN,,"",,,,NaN,"",copre6,"",,cpd08372,MNXM91523,,NaN,,,,"",
copre8,"Cobalt-precorrin 8",C45H52N4O14Co,-6,0,0,C11545,NaN,NaN,,"",,,,NaN,"",copre8,"",,cpd08375,MNXM145761,,NaN,,,,"",
coprost,"Coprostanol",C27H48O,0,388.6799927,388.3705162,,NaN,NaN,HMDB0000577,"",,coprost,,NaN,"",,"",,,,,NaN,360-68-9,DTXSID1052036,QYIXCDOBOSTCEI-NWKZBHTNSA-N,"",
core2,"Core 2",C22H37N2O15X,0,0,0,,NaN,15876,,"",core2,core2,,NaN,"",core2,"",,,MNXM8447,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(OC([H])([*])[C@]2([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
core2_rl,"released Core 2",C22H38N2O16,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
core3,"Core 3",C16H27N2O10X,0,0,0,C01306,NaN,16250,,"",core3,core3,,NaN,"",core3,"",,,MNXM2544,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(OC([H])([*])[C@]2([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
core4,"Core 4",C24H40N3O15X,0,0,0,C04917,NaN,16478,,"",core4,core4,,NaN,"",core4,"",,,MNXM4704,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@@]2([H])O[C@]([H])([*])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])N([H])C(=O)C([H])([H])[H])[C@@]2([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
core4_rl,"released Core 4",C24H41N3O16,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
core5,"Core 5",C16H27N2O10X,0,0,0,,NaN,NaN,,"",core5,core5,,NaN,"",core5,"",,,MNXM16840,,NaN,,,,"",
core6,"Core 6",C16H27N2O10X,0,0,0,,NaN,NaN,,"",core6,core6,,NaN,"",core6,"",,,MNXM7200,,NaN,,,,"",
core7,"Core 7",C16H27N2O10X,0,0,0,,NaN,NaN,,"",core7,core7,,NaN,"",core7,"",,,MNXM16841,,NaN,,,,"",
core8,"Core 8",C14H24NO10X,0,0,0,,NaN,NaN,,"",core8,core8,,NaN,"",core8,"",,,MNXM16842,,NaN,,,,"",
cortsn,"Cortisone",C21H28O5,0,360.444,360.193674,C00762,222786,16962,HMDB0002802,"",cortsn,cortsn,FDB023065,193441,"CORTISONE",cortsn,"Cortisone",,cpd00566,MNXM164685,,271,53-06-5,DTXSID5022857,MFYSYFVPBJMHGN-ZPOLXVRWSA-N,"InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1",[H]OC([H])([H])C(=O)[C@@]1(O[H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C(=O)C([H])([H])[C@]12C([H])([H])[H]
coucoa,"P-Coumaroyl Coenzyme A",C30H38N7O18P3S1,-4,0,0,C00223,147899,15499,,"",coucoa,coucoa,,NaN,"",coucoa,"",,cpd00192,MNXM264,,63535,,,DMZOKBALNZWDKI-FUEUKBNZSA-J,"InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/t19-,23-,24-,25+,29-/m1/s1",[H]OC1=C([H])C([H])=C(C([H])=C([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C(N=C([H])N=C34)N([H])[H])[C@]([H])(O[H])[C@]2([H])OP([O-])([O-])=O)C([H])=C1[H]
coumarin,"Coumarin",C9H6O2,0,146.145,146.0367794,C05851,323,28794,HMDB0001218,"",coumarin,coumarin,FDB011938,13848793,"COUMARIN",coumarin,"Coumarin",DB04665,,MNXM2111,C00002460,3525,91-64-5,DTXSID7020348,ZYGHJZDHTFUPRJ-UHFFFAOYSA-N,"InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H",[H]C1=C([H])C2=C(C([H])=C1[H])C([H])=C([H])C(=O)O2
cpppg1,"Coproporphyrinogen I",C36H40N4O8,-4,660.7566,660.3159144,C05768,440776,28607,HMDB0002158,"",,cpppg1,FDB022874,389645,"COPROPORPHYRINOGEN_I",cpppg1,"Coproporphyrinogen I",,cpd03416,MNXM1322,,6516,31110-56-2,DTXSID60331524,WIUGGJKHYQIGNH-UHFFFAOYSA-J,"InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/p-4",[H]N1C2=C(C(=C1C([H])([H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C(=C(N1[H])C2([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H]
cpppg3,"Coproporphyrinogen III",C36H40N4O8,-4,660.7566,660.3159144,C03263,321,15439,HMDB0001261,"",cpppg3,cpppg3,FDB022518,315,"COPROPORPHYRINOGEN_III",cpppg3,"Coproporphyrinogen III",,cpd02083,MNXM410,C00007284,6116,2624-63-7,DTXSID40180875,NIUVHXTXUXOFEB-UHFFFAOYSA-J,"InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/p-4",[H]N1C2=C(C(=C1C([H])([H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C(=C(N1[H])C2([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H]
creat,"Creatine",C4H9N3O2,0,131.1332,131.0694765,C00300,586,16919,HMDB0000064,"",creat,creat,FDB005403,566,"CREATINE",creat,"Creatine",DB00148,cpd00250,MNXM1470,,7,57-00-1,DTXSID1040451,CVSVTCORWBXHQV-UHFFFAOYSA-N,"InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)",[H]N([H])C(=[N+]([H])[H])N(C([H])([H])[H])C([H])([H])C([O-])=O
crglz,"Carboxy-Gliclazide",C15H17N3O5S,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
crm_hs,"N-Acylsphingosine",C18H36NO2FULLRCO,0,565.9680176,565.5433952,,NaN,NaN,,"",crm_hs,crm_hs,,NaN,"",crm_hs,"",,,MNXM2812,,NaN,104404-17-3,DTXSID70146464,VODZWWMEJITOND-NXCSZAMKSA-N,"",[H]OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
crmp_hs,"Ceramide 1-Phosphate",C18H35NO5PFULLRCO,-2,0,0,,NaN,NaN,,"",crmp_hs,crmp_hs,,NaN,"",crmp_hs,"",,,MNXM92165,,NaN,,,,"",[H]O[C@]([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(N([H])C([*])=O)C([H])([H])OP([O-])([O-])=O
crn,"L-Carnitine",C7H15NO3,0,161.1989,161.1051934,C00318,2724480,11060,HMDB0000062,"",crn,crn,FDB000572,2006614,"CARNITINE",crn,"L-Carnitine",,cpd00266,MNXM173,,52,541-15-1,DTXSID4023208,PHIQHXFUZVPYII-ZCFIWIBFSA-N,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1",[H]O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
crncoa,"L-Carnitinyl-CoA",C28H46N8O18P3S,-3,0,0,,NaN,NaN,,"",,,,NaN,"",crncoa,"",,cpd15440,MNXM1451,,NaN,,,,"",
cro4,"Chromate",CrO4,-2,0,0,,NaN,NaN,,"",,,,NaN,"",cro4,"",,cpd11595,MNXM46638,,NaN,,,,"",
crtn,"Creatinine",C4H7N3O,0,113.1179,113.0589119,C00791,588,16737,HMDB0000562,"",crtn,crtn,FDB021814,568,"",crtn,"Creatinine",,cpd00585,MNXM163786,,8,60-27-5,DTXSID8045987,DDRJAANPRJIHGJ-UHFFFAOYSA-N,"InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)",[H]N=C1N([H])C(=O)C([H])([H])N1C([H])([H])[H]
crtsl,"Cortisol",C21H30O5,0,362.4599,362.2093241,C00735,657311,17650,HMDB0000063,"",crtsl,crtsl,FDB021888,571435,"CORTISOL",crtsl,"Cortisol",DB00741,cpd00546,MNXM162531,,5124,50-23-7,DTXSID7020714,JYGXADMDTFJGBT-VWUMJDOOSA-N,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",[H]OC([H])([H])C(=O)[C@@]1(O[H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])[C@@]([H])(O[H])C([H])([H])[C@]12C([H])([H])[H]
crtstrn,"Corticosterone",C21H30O4,0,346.4605,346.2144094,C02140,5753,16827,HMDB0001547,"",crtstrn,crtstrn,FDB022684,5550,"CORTICOSTERONE",crtstrn,"Corticosterone",DB04652,cpd01450,MNXM162953,,6314,50-22-6,DTXSID6022474,OMFXVFTZEKFJBZ-HJTSIMOOSA-N,"InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1",[H]OC([H])([H])C(=O)[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])[C@@]([H])(O[H])C([H])([H])[C@]12C([H])([H])[H]
crvnc,"Docosahexaenoic acid",C22H31O2,-1,0,0,C06429,445580,28125,HMDB0002183,"",crvnc,crvnc,FDB003003,393183,"D-HEXOSE-6-PHOSPHATE",crvnc,"Docosahexaenoic acid",,cpd03852,MNXM7161,,3457,6217-54-5,,MBMBGCFOFBJSGT-KXRQTMKUSA-M,"InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/p-1/b4-3?,7-6-,10-9-,13-12-,16-15-,19-18-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O
crvs,"Cerivastatin",C25H31FNNaO5,0,459.5580139,459.2421014,D07661,NaN,3558,,"",,,,393588,"",,"Cerivastatin",DB00439,,,,NaN,145599-86-6,DTXSID9022786,SEERZIQQUAZTOL-ANMDKAQQSA-N,"",
crvsm1,"Cerivastatin-M1",C24H29FNNaO5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
crvsm22,"Cerivastatin-M22",C25H29FNNaO4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
crvsm23,"Cerivastatin-M23",C25H31FNNaO6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
crvsm24,"Cerivastatin-M24",C24H29FNNaO6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
crvsm31,"Cerivastatin-M31",C26H31FNNaO5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cs_a,"Chondroitin Sulfate A (GalNac4S-Glca), Free Chain",C45H67N2O46S3,-5,0,0,,NaN,NaN,,"",cs_a,cs_a,,NaN,"",cs_a,"",,,MNXM8400,,NaN,,,,"",
cs_a_b_e_pre1,"Chondroitin Sulfate A (GalNac4S-Glca), B (Idoa2S-GalNac4S), And E (GalNac4,6Dis-Glca), Precursor 1",C31H47NO31S2X,-3,0,0,,NaN,NaN,,"",cs_a_b_e_pre1,cs_a_b_e_pre1,,NaN,"",cs_a_b_e_pre1,"",,,MNXM147450,,NaN,,,,"",
cs_a_b_pre2,"Chondroitin Sulfate A (GalNac4S-Glca) And B (Idoa2S-GalNac4S), Precursor 2",C37H54NO37S2X,-4,0,0,,NaN,NaN,,"",cs_a_b_pre2,cs_a_b_pre2,,NaN,"",cs_a_b_pre2,"",,,MNXM148157,,NaN,,,,"",
cs_a_b_pre3,"Chondroitin Sulfate A (GalNac4S-Glca) And B (Idoa2S-GalNac4S), Precursor 3",C45H67N2O42S2X,-4,0,0,,NaN,NaN,,"",cs_a_b_pre3,cs_a_b_pre3,,NaN,"",cs_a_b_pre3,"",,,MNXM147449,,NaN,,,,"",
cs_a_deg1,"Chondroitin Sulfate A (GalNac4S-Glca), Degradation Product 1",C45H68N2O43S2,-4,0,0,,NaN,NaN,,"",cs_a_deg1,cs_a_deg1,,NaN,"",cs_a_deg1,"",,,MNXM10936,,NaN,,,,"",
cs_a_deg2,"Chondroitin Sulfate A (GalNac4S-Glca), Degradation Product 2",C37H55NO38S2,-4,0,0,,NaN,NaN,,"",cs_a_deg2,cs_a_deg2,,NaN,"",cs_a_deg2,"",,,MNXM8398,,NaN,,,,"",
cs_a_deg3,"Chondroitin Sulfate A (GalNac4S-Glca), Degradation Product 3",C31H48NO32S2,-3,0,0,,NaN,NaN,,"",cs_a_deg3,cs_a_deg3,,NaN,"",cs_a_deg3,"",,,MNXM8399,,NaN,,,,"",
cs_a_deg4,"Chondroitin Sulfate A (GalNac4S-Glca), Degradation Product 4",C31H49NO29S,-2,0,0,,NaN,NaN,,"",cs_a_deg4,cs_a_deg4,,NaN,"",cs_a_deg4,"",,,MNXM10937,,NaN,,,,"",
cs_a_deg5,"Chondroitin Sulfate A (GalNac4S-Glca), Degradation Product 5",C23H36O24S,-2,0,0,,NaN,NaN,,"",cs_a_deg5,cs_a_deg5,,NaN,"",cs_a_deg5,"",,,MNXM10938,,NaN,,,,"",
cs_b,"Chondroitin Sulfate B / Dermatan Sulfate (Idoa2S-GalNac4S), Free Chain",C45H66N2O49S4,-6,0,0,,NaN,NaN,,"",cs_b,cs_b,,NaN,"",cs_b,"",,,MNXM8402,,NaN,,,,"",
cs_b_deg1,"Chondroitin Sulfate B / Dermatan Sulfate (Idoa2S-GalNac4S), Degradation Product 1",C45H67N2O46S3,-5,0,0,,NaN,NaN,,"",cs_b_deg1,cs_b_deg1,,NaN,"",cs_b_deg1,"",,,MNXM10941,,NaN,,,,"",
cs_b_deg2,"Chondroitin Sulfate B / Dermatan Sulfate (Idoa2S-GalNac4S), Degradation Product 2",C37H54NO41S3,-5,0,0,,NaN,NaN,,"",cs_b_deg2,cs_b_deg2,,NaN,"",cs_b_deg2,"",,,MNXM8401,,NaN,,,,"",
cs_b_deg3,"Chondroitin Sulfate B / Dermatan Sulfate (Idoa2S-GalNac4S), Degradation Product 3",C37H55NO38S2,-4,0,0,,NaN,NaN,,"",cs_b_deg3,cs_b_deg3,,NaN,"",cs_b_deg3,"",,,MNXM10942,,NaN,,,,"",
cs_b_pre4,"Chondroitin Sulfate B (Idoa2S-GalNac4S), Precursor 4",C45H67N2O42S2X,-4,0,0,,NaN,NaN,,"",cs_b_pre4,cs_b_pre4,,NaN,"",cs_b_pre4,"",,,MNXM10939,,NaN,,,,"",
cs_b_pre5,"Chondroitin Sulfate B (Idoa2S-GalNac4S), Precursor 5",C45H66N2O45S3X,-5,0,0,,NaN,NaN,,"",cs_b_pre5,cs_b_pre5,,NaN,"",cs_b_pre5,"",,,MNXM10940,,NaN,,,,"",
cs_c,"Chondroitin Sulfate C (GalNac6S-Glca), Free Chain",C45H67N2O46S3,-5,0,0,,NaN,NaN,,"",cs_c,cs_c,,NaN,"",cs_c,"",,,MNXM8405,,NaN,,,,"",
cs_c_d_e_pre1,"Chondroitin Sulfate C (GalNac6S-Glca) And D (GlcNac6S-Glca2S), Precursor 1",C31H47NO31S2X,-3,0,0,,NaN,NaN,,"",cs_c_d_e_pre1,cs_c_d_e_pre1,,NaN,"",cs_c_d_e_pre1,"",,,MNXM147064,,NaN,,,,"",
cs_c_deg1,"Chondroitin Sulfate C (GalNac6S-Glca), Degradation Product 1",C45H68N2O43S2,-4,0,0,,NaN,NaN,,"",cs_c_deg1,cs_c_deg1,,NaN,"",cs_c_deg1,"",,,MNXM10943,,NaN,,,,"",
cs_c_deg2,"Chondroitin Sulfate C (GalNac6S-Glca), Degradation Product 2",C37H55NO38S2,-4,0,0,,NaN,NaN,,"",cs_c_deg2,cs_c_deg2,,NaN,"",cs_c_deg2,"",,,MNXM8403,,NaN,,,,"",
cs_c_deg3,"Chondroitin Sulfate C (GalNac6S-Glca), Degradation Product 3",C31H48NO32S2,-3,0,0,,NaN,NaN,,"",cs_c_deg3,cs_c_deg3,,NaN,"",cs_c_deg3,"",,,MNXM8404,,NaN,,,,"",
cs_c_deg4,"Chondroitin Sulfate C (GalNac6S-Glca), Degradation Product 4",C31H49NO29S,-2,0,0,,NaN,NaN,,"",cs_c_deg4,cs_c_deg4,,NaN,"",cs_c_deg4,"",,,MNXM10944,,NaN,,,,"",
cs_c_deg5,"Chondroitin Sulfate C (GalNac6S-Glca), Degradation Product 5",C23H36O24S,-2,0,0,,NaN,NaN,,"",cs_c_deg5,cs_c_deg5,,NaN,"",cs_c_deg5,"",,,MNXM7173,,NaN,,,,"",
cs_c_pre2,"Chondroitin Sulfate C (GalNac6S-Glca), Precursor 2",C37H54NO37S2X,-4,0,0,,NaN,NaN,,"",cs_c_pre2,cs_c_pre2,,NaN,"",cs_c_pre2,"",,,MNXM10945,,NaN,,,,"",
cs_c_pre3,"Chondroitin Sulfate C (GalNac6S-Glca), Precursor 3",C45H67N2O42S2X,-4,0,0,,NaN,NaN,,"",cs_c_pre3,cs_c_pre3,,NaN,"",cs_c_pre3,"",,,MNXM10946,,NaN,,,,"",
cs_d,"Chondroitin Sulfate D (GlcNac6S-Glca2S), Free Chain",C45H65N2O52S5,-7,0,0,,NaN,NaN,,"",cs_d,cs_d,,NaN,"",cs_d,"",,,MNXM8409,,NaN,,,,"",
cs_d_deg1,"Chondroitin Sulfate D (GlcNac6S-Glca2S), Degradation Product 1",C45H66N2O49S4,-6,0,0,,NaN,NaN,,"",cs_d_deg1,cs_d_deg1,,NaN,"",cs_d_deg1,"",,,MNXM10948,,NaN,,,,"",
cs_d_deg2,"Chondroitin Sulfate D (GlcNac6S-Glca2S), Degradation Product 2",C37H53NO44S4,-6,0,0,,NaN,NaN,,"",cs_d_deg2,cs_d_deg2,,NaN,"",cs_d_deg2,"",,,MNXM8406,,NaN,,,,"",
cs_d_deg3,"Chondroitin Sulfate D (GlcNac6S-Glca2S), Degradation Product 3",C37H54NO41S3,-5,0,0,,NaN,NaN,,"",cs_d_deg3,cs_d_deg3,,NaN,"",cs_d_deg3,"",,,MNXM10949,,NaN,,,,"",
cs_d_deg4,"Chondroitin Sulfate D (GlcNac6S-Glca2S), Degradation Product 4",C31H47NO35S3,-4,0,0,,NaN,NaN,,"",cs_d_deg4,cs_d_deg4,,NaN,"",cs_d_deg4,"",,,MNXM8407,,NaN,,,,"",
cs_d_deg5,"Chondroitin Sulfate D (GlcNac6S-Glca2S), Degradation Product 5",C31H48NO32S2,-3,0,0,,NaN,NaN,,"",cs_d_deg5,cs_d_deg5,,NaN,"",cs_d_deg5,"",,,MNXM10950,,NaN,,,,"",
cs_d_deg6,"Chondroitin Sulfate D (GlcNac6S-Glca2S), Degradation Product 6",C23H35O27S2,-3,0,0,,NaN,NaN,,"",cs_d_deg6,cs_d_deg6,,NaN,"",cs_d_deg6,"",,,MNXM8408,,NaN,,,,"",
cs_d_pre2,"Chondroitin Sulfate D (GlcNac6S-Glca2S) Precursor 2",C31H46NO34S3X,-4,0,0,,NaN,NaN,,"",cs_d_pre2,cs_d_pre2,,NaN,"",cs_d_pre2,"",,,MNXM10947,,NaN,,,,"",
cs_d_pre3,"Chondroitin Sulfate D (GlcNac6S-Glca2S), Precursor 3",C37H53NO40S3X,-5,0,0,,NaN,NaN,,"",cs_d_pre3,cs_d_pre3,,NaN,"",cs_d_pre3,"",,,MNXM10951,,NaN,,,,"",
cs_d_pre4,"Chondroitin Sulfate D (GlcNac6S-Glca2S), Precursor 4",C45H66N2O45S3X,-5,0,0,,NaN,NaN,,"",cs_d_pre4,cs_d_pre4,,NaN,"",cs_d_pre4,"",,,MNXM10952,,NaN,,,,"",
cs_d_pre5,"Chondroitin Sulfate D (GlcNac6S-Glca2S), Precursor 5",C45H65N2O48S4X,-6,0,0,,NaN,NaN,,"",cs_d_pre5,cs_d_pre5,,NaN,"",cs_d_pre5,"",,,MNXM10953,,NaN,,,,"",
cs_e,"Chondroitin Sulfate E (GalNac4,6Dis-Glca), Free Chain",C45H64N2O55S6,-8,0,0,,NaN,NaN,,"",cs_e,cs_e,,NaN,"",cs_e,"",,,MNXM8413,,NaN,,,,"",
cs_e_deg1,"Chondroitin Sulfate E (GalNac4,6Dis-Glca), Degradation Product 1",C45H65N2O52S5,-7,0,0,,NaN,NaN,,"",cs_e_deg1,cs_e_deg1,,NaN,"",cs_e_deg1,"",,,MNXM10954,,NaN,,,,"",
cs_e_deg2,"Chondroitin Sulfate E (GalNac4,6Dis-Glca), Degradation Product 2",C45H66N2O49S4,-6,0,0,,NaN,NaN,,"",cs_e_deg2,cs_e_deg2,,NaN,"",cs_e_deg2,"",,,MNXM10955,,NaN,,,,"",
cs_e_deg3,"Chondroitin Sulfate E (GalNac4,6Dis-Glca), Degradation Product 3",C37H53NO44S4,-6,0,0,,NaN,NaN,,"",cs_e_deg3,cs_e_deg3,,NaN,"",cs_e_deg3,"",,,MNXM8410,,NaN,,,,"",
cs_e_deg4,"Chondroitin Sulfate E (GalNac4,6Dis-Glca), Degradation Product 4",C31H46NO38S4,-5,0,0,,NaN,NaN,,"",cs_e_deg4,cs_e_deg4,,NaN,"",cs_e_deg4,"",,,MNXM8411,,NaN,,,,"",
cs_e_deg5,"Chondroitin Sulfate E (GalNac4,6Dis-Glca), Degradation Product 5",C31H47NO35S3,-4,0,0,,NaN,NaN,,"",cs_e_deg5,cs_e_deg5,,NaN,"",cs_e_deg5,"",,,MNXM10956,,NaN,,,,"",
cs_e_deg6,"Chondroitin Sulfate E (GalNac4,6Dis-Glca), Degradation Product 6",C31H48NO32S2,-3,0,0,,NaN,NaN,,"",cs_e_deg6,cs_e_deg6,,NaN,"",cs_e_deg6,"",,,MNXM10957,,NaN,,,,"",
cs_e_deg7,"Chondroitin Sulfate E (GalNac4,6Dis-Glca), Degradation Product 7",C23H35O27S2,-3,0,0,,NaN,NaN,,"",cs_e_deg7,cs_e_deg7,,NaN,"",cs_e_deg7,"",,,MNXM8412,,NaN,,,,"",
cs_e_pre2,"Chondroitin Sulfate E (GalNac4,6Dis-Glca), Precursor 2",C31H45NO37S4X,-5,0,0,,NaN,NaN,,"",cs_e_pre2,cs_e_pre2,,NaN,"",cs_e_pre2,"",,,MNXM8414,,NaN,,,,"",
cs_e_pre3,"Chondroitin Sulfate E (GalNac4,6Dis-Glca), Precursor 3",C37H52NO43S4X,-6,0,0,,NaN,NaN,,"",cs_e_pre3,cs_e_pre3,,NaN,"",cs_e_pre3,"",,,MNXM10958,,NaN,,,,"",
cs_e_pre4,"Chondroitin Sulfate E (GalNac4,6Dis-Glca), Precursor 4",C45H65N2O48S4X,-6,0,0,,NaN,NaN,,"",cs_e_pre4,cs_e_pre4,,NaN,"",cs_e_pre4,"",,,MNXM8415,,NaN,,,,"",
cs_e_pre5a,"Chondroitin Sulfate E (GalNac4,6Dis-Glca), Precursor 5A",C45H64N2O51S5X,-7,0,0,,NaN,NaN,,"",cs_e_pre5a,cs_e_pre5a,,NaN,"",cs_e_pre5a,"",,,MNXM10959,,NaN,,,,"",
cs_e_pre5b,"Chondroitin Sulfate E (GalNac4,6Dis-Glca), Precursor 5B",C45H64N2O51S5X,-7,0,0,,NaN,NaN,,"",cs_e_pre5b,cs_e_pre5b,,NaN,"",cs_e_pre5b,"",,,MNXM10960,,NaN,,,,"",
cs_hs_linkage,"Chondroitin Sulfate/Heparan Sulfate Linkage Region (Glca-(Gal)2-Xyl-L-Ser (Protein))",C23H36O20X,-1,0,0,,NaN,NaN,,"",cs_hs_linkage,cs_hs_linkage,,NaN,"",cs_hs_linkage,"",,,MNXM147451,,NaN,,,,"",
cs_pre,"Chondroitin Sulfate Precursor (GalNac-Glca-(Gal)2-Xyl-L-Ser (Protein))",C31H49NO25X,-1,0,0,,NaN,NaN,,"",cs_pre,cs_pre,,NaN,"",cs_pre,"",,,MNXM8416,,NaN,,,,"",
csa,"Cyclosporine",C62H111N11O12,0,1202.63501,1201.841368,D00184,5284373,4031,,"",,,,4447449,"",,"Ciclosporin",DB00091,,,C00001517,NaN,59865-13-3,DTXSID0020365,PMATZTZNYRCHOR-CGLBZJNRSA-N,"",
csasulp,"Cyclosporine-Sulphate",C62H110N11O15S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
csn,"Cytosine",C4H5N3O,0,111.102,111.0432618,C00380,597,16040,HMDB0000630,"",csn,csn,FDB022151,577,"CYTOSINE",csn,"Cytosine",,cpd00307,MNXM761,C00001498,283,71-30-7,DTXSID4044456,OPTASPLRGRRNAP-UHFFFAOYSA-N,"InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)",[H]N([H])C1=NC(=O)N([H])C([H])=C1[H]
cspg_a,"Chondroitin Sulfate A (GalNac4S-Glca) Proteoglycan",C45H66N2O45S3X,-5,0,0,,NaN,NaN,,"",cspg_a,cspg_a,,NaN,"",cspg_a,"",,,MNXM7169,,NaN,,,,"",
cspg_a_degr,"Dimer GalNAc4S-GlcA",C14H21NO15S,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cspg_ab_rest,"Not degradable product CSABCPASE_A/B, Gal4S-Gal-Xyl-L-Ser-protein",C17H28O17SX,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cspg_b,"Chondroitin Sulfate B / Dermatan Sulfate (Idoa2S-GalNac4S) Proteoglycan",C45H65N2O48S4X,-6,0,0,,NaN,NaN,,"",cspg_b,cspg_b,,NaN,"",cspg_b,"",,,MNXM7170,,NaN,,,,"",
cspg_b_degr,"Dimer GalNAc4S-IdoA2S",C14H20NO18S2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cspg_c,"Chondroitin Sulfate C (GalNac6S-Glca) Proteoglycan",C45H66N2O45S3X,-5,0,0,,NaN,NaN,,"",cspg_c,cspg_c,,NaN,"",cspg_c,"",,,MNXM7172,,NaN,,,,"",
cspg_c_degr,"Dimer GalNAc6S-GlcA",C14H21NO15S,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cspg_c_rest,"Not degradable product CSABCPASE_C, Gal6S-Gal-Xyl-L-Ser-protein",C17H28O17SX,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cspg_d,"Chondroitin Sulfate D (GlcNac6S-Glca2S) Proteoglycan",C45H64N2O51S5X,-7,0,0,,NaN,NaN,,"",cspg_d,cspg_d,,NaN,"",cspg_d,"",,,MNXM7174,,NaN,,,,"",
cspg_e,"Chondroitin Sulfate E (GalNac4,6Dis-Glca) Proteoglycan",C45H63N2O54S6X,-8,0,0,,NaN,NaN,,"",cspg_e,cspg_e,,NaN,"",cspg_e,"",,,MNXM6211,,NaN,,,,"",
ctbt,"Crotonobetaine",C7H13NO2,0,0,0,,NaN,NaN,,"",,,,NaN,"",ctbt,"",,cpd08305,MNXM1607,,NaN,,,,"",
ctbtcoa,"Crotonobetainyl-CoA",C28H44N8O17P3S,-3,0,0,,NaN,NaN,,"",,,,NaN,"",ctbtcoa,"",,cpd15441,MNXM2363,,NaN,,,,"",
ctdecdcoa,"Cis2Trans4Decadienoyl Coenzyme A",C31H46N7O17P3S,-4,0,0,,NaN,NaN,,"",ctdecdcoa,ctdecdcoa,,NaN,"",,"",,,,,NaN,,,FASAKYLWSRDQOH-STEVQDCBSA-J,"InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b9-8+,11-10-/t20-,24-,25-,26+,30-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
ctp,"Cytidine triphosphate",C9H12N3O14P3,-4,483.1563,482.9845118,C00063,6176,17677,HMDB0000082,"",ctp,ctp,FDB012833,5941,"CTP",ctp,"Cytidine triphosphate",,cpd00052,MNXM63,C00019639,5136,65-47-4,DTXSID70889324,PCDQPRRSZKQHHS-XVFCMESISA-J,"InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=C([H])C(=NC1=O)N([H])[H]
cu2,"Cu2+",Cu,2,0,0,,NaN,NaN,HMDB0000657,"",,,,NaN,"",cu2,"",,cpd00058,MNXM632,,NaN,,,JPVYNHNXODAKFH-UHFFFAOYSA-N,"InChI=1S/Cu/q+2",
cvm1gluc,"Cerivastatin-M1-Glucuronide",C30H36FNNaO11,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cvm23gluc,"Cerivastatin-M23-Glucuronide",C31H38FNNaO12,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cyan,"Hydrogen cyanide",CHN,0,27.0253,27.01089904,C01326,NaN,18407,HMDB0060292,"",cyan,cyan,,748,"HCN",cyan,"Hydrogen_cyanide",,cpd00150,MNXM254,C00007569,NaN,74-90-8,DTXSID9024148,LELOWRISYMNNSU-UHFFFAOYSA-N,"InChI=1S/CHN/c1-2/h1H",[H]C#N
cynt,"Cyanate",CNO,-1,42.0168,41.99798863,C01417,105034,29195,HMDB0002078,"",,cynt,FDB022835,94771,"",cynt,"Cyanate",,cpd01015,MNXM1191,,4001,71000-82-3,,XLJMAIOERFSOGZ-UHFFFAOYSA-M,"InChI=1S/CHNO/c2-1-3/h3H/p-1",[O-]C#N
cys_D,"D-Cysteine",C3H7NO2S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cys_L,"L-Cysteine",C3H7NO2S,0,121.158,121.0197492,C00097,5862,17561,HMDB0000574,"L-cysteine",cys_L,cys_L,FDB012678,5653,"CYS",cys__L,"L-Cysteine",DBMET00503,cpd00084,MNXM55,C00001351,5556,52-90-4,DTXSID8022876,XUJNEKJLAYXESH-REOHCLBHSA-N,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",[H]SC([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
cysacmp,"Cysteine-Conjugate-Acetaminophen",C11H14N2O4S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
cysam,"Cysteamine",C2H8NS,1,77.149,77.02991992,C01678,6058,17141,HMDB0002991,"",cysam,cysam,FDB023091,5834,"CPD-3721",cysam,"Cysteamine",DB00847,cpd01160,MNXM1226,,3222,60-23-1,DTXSID3022875,UFULAYFCSOUIOV-UHFFFAOYSA-O,"InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2/p+1",[H]SC([H])([H])C([H])([H])[N+]([H])([H])[H]
cysasnmet,"Cystyl-Asparaginyl-Methionine",C12H22N4O5S2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SQJSYLDKQBZQTG-BIIVOSGPSA-N,"InChI=1S/C12H22N4O5S2/c1-23-3-2-7(12(20)21)15-11(19)8(4-9(14)17)16-10(18)6(13)5-22/h6-8,22H,2-5,13H2,1H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t6-,7-,8+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])S[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H]
cysaspphe,"Cystyl-Aspartyl-Phenylalanine",C16H20N3O6S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,IIGHQOPGMGKDMT-TUAOUCFPSA-M,"InChI=1S/C16H21N3O6S/c17-10(8-26)14(22)18-11(7-13(20)21)15(23)19-12(16(24)25)6-9-4-2-1-3-5-9/h1-5,10-12,26H,6-8,17H2,(H,18,22)(H,19,23)(H,20,21)(H,24,25)/p-1/t10-,11+,12-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])S[H])C([H])([H])C([O-])=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
cyscys,"Cystyl-Cysteine",C6H12N2O3S2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OABOXRPGTFRBFZ-IUYQGCFVSA-N,"InChI=1S/C6H12N2O3S2/c7-3(1-12)5(9)8-4(2-13)6(10)11/h3-4,12-13H,1-2,7H2,(H,8,9)(H,10,11)/t3-,4+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])S[H])C([H])([H])S[H]
cysglnmet,"Cystyl-Glutaminyl-Methionine",C13H24N4O5S2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LMXOUGMSGHFLRX-YIZRAAEISA-N,"InChI=1S/C13H24N4O5S2/c1-24-5-4-9(13(21)22)17-12(20)8(2-3-10(15)18)16-11(19)7(14)6-23/h7-9,23H,2-6,14H2,1H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t7-,8+,9-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])S[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H]
cysgluhis,"Cystyl-Glutamyl-Histidine",C14H20N5O6S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UUOYKFNULIOCGJ-AEJSXWLSSA-M,"InChI=1S/C14H21N5O6S/c15-8(5-26)12(22)18-9(1-2-11(20)21)13(23)19-10(14(24)25)3-7-4-16-6-17-7/h4,6,8-10,26H,1-3,5,15H2,(H,16,17)(H,18,22)(H,19,23)(H,20,21)(H,24,25)/p-1/t8-,9+,10-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])S[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C1=C([H])N([H])C([H])=N1
cysglutrp,"Cystyl-Glutamyl-Tryptophan",C19H23N4O6S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GOKFTBDYUJCCSN-CFVMTHIKSA-M,"InChI=1S/C19H24N4O6S/c20-12(9-30)17(26)22-14(5-6-16(24)25)18(27)23-15(19(28)29)7-10-8-21-13-4-2-1-3-11(10)13/h1-4,8,12,14-15,21,30H,5-7,9,20H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)/p-1/t12-,14+,15-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])S[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]
cysleuthr,"Cystyl-Leucyl-Threonine",C13H25N3O5S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XZKJEOMFLDVXJG-QEYWKRMJSA-N,"InChI=1S/C13H25N3O5S/c1-6(2)4-9(15-11(18)8(14)5-22)12(19)16-10(7(3)17)13(20)21/h6-10,17,22H,4-5,14H2,1-3H3,(H,15,18)(H,16,19)(H,20,21)/t7-,8-,9+,10-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])S[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H]
cyssermet,"Cystyl-Seryl-Methionine",C11H21N3O5S2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VCPHQVQGVSKDHY-BIIVOSGPSA-N,"InChI=1S/C11H21N3O5S2/c1-21-3-2-7(11(18)19)13-10(17)8(4-15)14-9(16)6(12)5-20/h6-8,15,20H,2-5,12H2,1H3,(H,13,17)(H,14,16)(H,18,19)/t6-,7-,8+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])S[H])C([H])([H])O[H])C([H])([H])C([H])([H])SC([H])([H])[H]
cyst_L,"L-Cystathionine",C7H14N2O4S,0,222.262,222.0674276,C02291,439258,17482,HMDB0000099,"",cyst_L,cyst_L,FDB001976,388392,"L-CYSTATHIONINE",cyst__L,"Cystathionine",DBMET00486,cpd00424,MNXM319,C00007498,39,56-88-2,,ILRYLPWNYFXEMH-WHFBIAKZSA-N,"InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1",[H][N+]([H])([H])[C@]([H])(C([O-])=O)C([H])([H])SC([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
cystyrasn,"Cystyl-Tyrosyl-Asparagine",C16H22N4O6S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,IWVNIQXKTIQXCT-TUAOUCFPSA-N,"InChI=1S/C16H22N4O6S/c17-10(7-27)14(23)19-11(5-8-1-3-9(21)4-2-8)15(24)20-12(16(25)26)6-13(18)22/h1-4,10-12,21,27H,5-7,17H2,(H2,18,22)(H,19,23)(H,20,24)(H,25,26)/t10-,11+,12-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])S[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C(=O)N([H])[H]
cytd,"Cytidine",C9H13N3O5,0,243.2166,243.0855205,C00475,6175,17562,HMDB0000089,"",cytd,cytd,FDB021809,5940,"CYTIDINE",cytd,"Cytidine",,cpd00367,MNXM338,C00042440,3376,65-46-3,DTXSID60891552,UHDGCWIWMRVCDJ-XVFCMESISA-N,"InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C([H])C(=NC2=O)N([H])[H])[C@]([H])(O[H])[C@]1([H])O[H]
d5kg,"2-deoxy-5-keto-D-gluconic acid",C6H9O6,-1,0,0,C06892,9109,27972,,"",,,,NaN,"",d5kg,"",,cpd04242,MNXM1897,,NaN,,,,"InChI=1S/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h3,6-8,12H,1-2H2,(H,10,11)/t3-,6+/m1/s1",
d5kgp,"6-phosphonato-5-dehydro-2-deoxy-D-gluconate(3-)",C6H8O9P,-3,0,0,C06893,9110,16925,,"",,,,NaN,"",d5kgp,"",,cpd02721,MNXM1806,,NaN,,,,"InChI=1S/C6H11O9P/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14/h3,6-7,11H,1-2H2,(H,9,10)(H2,12,13,14)/t3-,6+/m1/s1",
dad_2,"Deoxyadenosine",C10H13N5O3,0,251.2419,251.1018393,C00559,13730,17256,HMDB0000101,"",dad_2,dad_2,FDB021894,13135,"",dad_2,"Deoxyadenosine",,cpd00438,MNXM625,C00019281,3382,958-09-8,DTXSID10883624,OLXZPDWKRNYJJZ-RRKCRQDMSA-N,"InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])C([H])([H])[C@]1([H])O[H]
dad_5,"5'-Deoxyadenosine",C10H13N5O3,0,251.2419,251.1018393,C05198,439182,17319,HMDB0001983,"",,,FDB022781,388325,"CH33ADO",dad_5,"",,cpd03091,MNXM316,,NaN,4754-39-6,,XGYIMTFOTBMPFP-KQYNXXCUSA-N,"InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
dadp,"dADP",C10H12N5O9P2,-3,411.2017,411.0345001,C00206,53477733,16174,HMDB0001508,"",dadp,dadp,FDB022662,NaN,"DADP",dadp,"deoxyadenosine diphosphate",,cpd00177,MNXM374,,6286,,,DAEAPNUQQAICNR-RRKCRQDMSA-K,"InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/p-3/t5-,6+,7+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
dag_hs,"Diglyceride",C3H6OFULLRCO2FULLR2CO2,0,625.0319824,624.5692755,,NaN,NaN,,"",dag_hs,dag_hs,,NaN,"",dag_hs,"",,,MNXM59,,NaN,10567-21-2,DTXSID20147249,XIAZEYRSKHAPND-QEFFJBJBSA-N,"InChI=1S/C47H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,45,48H,3-4,9-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b7-5?,8-6?,13-11-,14-12?,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t45-/m0/s1",[H]OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H]
dak2gpe_hs,"PE(P-16:0e/16:0)",C7H14O5NPFULLRFULLR2CO,0,675.9597,675.5202902,C04756,52925046,NaN,HMDB0011158,"",dak2gpe_hs,,FDB027933,24769221,"",dak2gpe_hs,"",,,MNXM13888,,NaN,,,FDULCEKAOVWBTQ-PXOIRPRXSA-N,"",[H]OP(=O)(OC([H])([H])C([H])([H])N([H])[H])OC([H])([H])C([H])(OC([*])=O)C([H])([H])O\C([H])=C(\[H])[*]
damp,"Deoxyadenosine monophosphate",C10H12N5O6P,-2,331.2218,331.0681697,C00360,12599,17713,HMDB0000905,"",damp,damp,FDB022311,12079,"DAMP",damp,"Deoxyadenosine monophosphate",,cpd00294,MNXM432,,3461,653-63-4,,KHWCHTKSEGGWEX-RRKCRQDMSA-L,"InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/p-2/t5-,6+,7+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])([O-])=O)N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
dann,"7,8-Diaminononanoate",C9H21N2O2,1,0,0,C01037,5460128,17830,,"",,,,21232041,"",dann,"",,cpd00764,MNXM1140,,NaN,,,,"",
datp,"Deoxyadenosine triphosphate",C10H12N5O12P3,-4,491.1816,491.0008305,C00131,15993,16284,HMDB0001532,"",datp,datp,FDB022674,15194,"DATP",datp,"Deoxyadenosine triphosphate",,cpd00115,MNXM286,,6303,1927-31-7,,SUYVUBYJARFZHO-RRKCRQDMSA-J,"InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/p-4/t5-,6+,7+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
db4p,"3,4-dihydroxy-2-butanone 4-phosphate",C4H7O6P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",db4p,"",,cpd11225,MNXM2323,,NaN,,,,"",
dc2coa,"(2E)-Decenoyl-CoA",C31H48N7O17P3S,-4,919.768,919.2353235,C05275,5280768,10723,HMDB0003948,"trans-dec-2-enoyl-CoA",dc2coa,dc2coa,FDB023267,4444334,"T2-DECENOYL-COA",dc2coa,"",,cpd03129,MNXM580,,NaN,10018-95-8,,MGNBGCRQQFMNBM-YJHHLLFWSA-J,"InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h10-11,18-20,24-26,30,41-42H,4-9,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b11-10+/t20-,24-,25-,26+,30-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dca,"Capric acid",C10H19O2,-1,172.2646,172.1463299,C01571,2969,30813,HMDB0000511,"",dca,dca,FDB012027,2863,"3-OXODODECANOATE",dca,"Capric acid",DB03600,,MNXM162295,C00001213,336,334-48-5,DTXSID9021554,GHVNFZFCNZKVNT-UHFFFAOYSA-M,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
dca24g,"Deoxycholic acid-24glucuronide, CDA-24G",C30H47O10,-1,0,0,,NaN,NaN,,"",,dca24g,,NaN,"",,"",,,,,NaN,,,,"",
dca3g,"Deoxycholic acid 3-glucuronide",C30H47O10,-1,568.6961,568.3247478,C03033,53477755,NaN,HMDB0002596,"",,dca3g,FDB023032,NaN,"Beta-D-Glucuronides",,"",,,,,6721,72504-58-6,,NNEIBJNHWVDJBA-WJQHFXMBSA-N,"InChI=1S/C30H48O10/c1-14(4-9-22(32)33)18-7-8-19-17-6-5-15-12-16(10-11-29(15,2)20(17)13-21(31)30(18,19)3)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15-,16-,17+,18?,19+,20+,21+,23+,24+,25-,26+,28?,29+,30-/m1/s1",
dca3s,"Deoxycholic acid 3-sulfate",C24H38O7S,-2,0,0,,NaN,NaN,,"",,dca3s,,NaN,"",,"",,,,,NaN,,,,"",
dcaACP,"Decanoyl-ACP (n-C10:0ACP)",C21H39N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",dcaACP,"",,cpd11474,MNXM90236,,NaN,,,,"",
dcacoa,"Decanoyl-CoA (n-C10:0CoA)",C31H50N7O17P3S,-4,921.783,921.2509736,C05274,440615,28493,HMDB0006404,"decanoyl-CoA",dcacoa,dcacoa,FDB023910,389510,"",dcacoa,"",,cpd03128,MNXM162283,,NaN,1264-57-9,,CNKJPHSEFDPYDB-HSJNEKGZSA-J,"InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/t20-,24-,25-,26+,30-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dcamp,"Adenylsuccinic acid",C14H14N5O11P,-4,463.2934,463.074043,C03794,440122,15919,HMDB0000536,"",dcamp,dcamp,FDB022101,389122,"",dcamp,"Adenylsuccinate",,cpd02375,MNXM565,C00007229,5521,19046-78-7,,OFBHPPMPBOJXRT-DPXQIYNJSA-J,"InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/p-4/t5?,6-,9-,10-,13-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])C([H])(C([O-])=O)C([H])([H])C([O-])=O
dcdp,"dCDP",C9H12N3O10P2,-3,387.177,387.0232667,C00705,150855,28846,HMDB0001245,"",dcdp,dcdp,FDB022510,132961,"DCDP",dcdp,"Deoxycytidine diphosphate",,cpd00533,MNXM411,,6105,800-73-7,,FTDHDKPUHBLBTL-SHYZEUOFSA-K,"InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/p-3/t5-,6+,8+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)N1C([H])=C([H])C(=NC1=O)N([H])[H]
dchac,"Deoxycholic acid",C24H39O4,-1,392.572,392.2926598,C04483,222528,28834,HMDB0000626,"",dchac,dchac,FDB012780,193196,"",dchac,"Deoxycholic acid",DB07690,cpd02733,MNXM57907,C00030117,265,83-44-3,DTXSID0042662,KXGVEGMKQFWNSR-LLQZFEROSA-M,"InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)[C@@]4(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]23[H])C1([H])[H]
dcholcoa,"Chenodeoxycholoyl-CoA",C45H70N7O19P3S,-4,1142.091,1141.397303,C05337,11966205,28701,HMDB0006292,"",dcholcoa,dcholcoa,FDB023880,10140198,"",dcholcoa,"",,cpd03164,MNXM834,,NaN,60731-52-4,,IIWDDMINEZBCTG-RUAADODMSA-J,"InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/p-4/t24-,25+,26-,27-,28+,29+,30-,31-,34+,36-,37-,38+,42-,44+,45-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dcmp,"dCMP",C9H12N3O7P,-2,307.1971,307.0569363,C00239,13945,15918,HMDB0001202,"",dcmp,dcmp,FDB022488,13343,"DCMP",dcmp,"dCMP",,cpd00206,MNXM266,,6078,1032-65-1,,NCMVOABPESMRCP-SHYZEUOFSA-L,"InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/p-2/t5-,6+,8+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])([O-])=O)N1C([H])=C([H])C(=NC1=O)N([H])[H]
dcsptn1,"(4Z,7Z,10Z,13Z,16Z)-Docosa-4,7,10,13,16-Pentaenoic Acid",C22H33O2,-1,0,0,,159656,65136,HMDB13123,"",dcsptn1,dcsptn1,,NaN,"",dcsptn1,"",,,MNXM11427,,NaN,,,AVKOENOBFIYBSA-WMPRHZDHSA-M,"InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-21H2,1H3,(H,23,24)/p-1/b7-6-,10-9-,13-12-,16-15-,19-18-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([O-])=O
dcsptn1coa,"Docosa-4,7,10,13,16-pentaenoyl CoA",C43H64N7O17P3S,-4,1080.03,1079.360526,C16173,53477845,NaN,HMDB0006513,"",dcsptn1coa,dcsptn1coa,FDB023952,NaN,"",dcsptn1coa,"",,,MNXM3265,,NaN,30960-17-9,,QKBTYZDPVNTERQ-UWVCYPHHSA-J,"InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4-7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dcsptn1crn,"4Z,7Z,10Z,13Z,16Z-Docosapentaenoylcarnitine",C29H47NO4,0,0,0,,NaN,NaN,,"",dcsptn1crn,dcsptn1crn,,NaN,"",dcsptn1crn,"",,,MNXM8558,,NaN,,,KRXOUZZWQXTUIB-IDERWEGCSA-N,"InChI=1S/C29H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h9-10,12-13,15-16,18-19,21-22,27H,5-8,11,14,17,20,23-26H2,1-4H3/b10-9+,13-12+,16-15+,19-18+,22-21+",[H]\C(=C(\[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
dctp,"dCTP",C9H12N3O13P3,-4,467.1569,466.9895971,C00458,65091,16311,HMDB0000998,"",dctp,dctp,FDB022359,58601,"DCTP",dctp,"dCTP",,cpd00356,MNXM360,,5929,2056-98-6,,RGWHQCVHVJXOKC-SHYZEUOFSA-J,"InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/p-4/t5-,6+,8+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)N1C([H])=C([H])C(=NC1=O)N([H])[H]
dcyt,"Deoxycytidine",C9H13N3O4,0,227.2172,227.0906059,C00881,13711,15698,HMDB0000014,"",dcyt,dcyt,FDB021871,13117,"DEOXYCYTIDINE",dcyt,"Deoxycytidine",,cpd00654,MNXM704,,3367,951-77-9,DTXSID70883620,CKTSBUTUHBMZGZ-SHYZEUOFSA-N,"InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C([H])C(=NC2=O)N([H])[H])C([H])([H])[C@]1([H])O[H]
dd2coa,"(2E)-Dodecenoyl-CoA",C33H52N7O17P3S,-4,943.789,943.2353235,C03221,45266564,57330,HMDB0003712,"trans-dodec-2-enoyl-CoA",dd2coa,dd2coa,FDB023218,26330706,"CPD-7222",dd2coa,"",,cpd02060,MNXM642,,NaN,1066-12-2,DTXSID90331456,IRFYVBULXZMEDE-KDPBKMHJSA-J,"InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h12-13,20-22,26-28,32,43-44H,4-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b13-12+/t22-,26-,27-,28+,32-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dd3coa,"3Z-dodecenoyl-CoA",C33H52N7O17P3S,-4,947.821,947.2666236,C02944,16061154,NaN,HMDB0004257,"",dd3coa,dd3coa,FDB023353,17220833,"CPD-7221",dd3coa,"",,,MNXM14550,,NaN,2152-91-2,DTXSID70724862,XEMIVMKTVGRFTD-YPWFGKPMSA-J,"InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h11-12,20-22,26-28,32,43-44H,4-10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b12-11-/t22-,26-,27-,28+,32-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dd5ecoa,"5-Dodecenoyl Coenzyme A",C33H52N7O17P3S,-4,0,0,,NaN,NaN,,"",dd5ecoa,dd5ecoa,,NaN,"",,"",,,,,NaN,,,RCVJZGBRLGUTKT-GMHMEAMDSA-J,"InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h9-10,20-22,26-28,32,43-44H,4-8,11-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/t22-,26-,27-,28+,32-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
ddca,"Dodecanoic acid",C12H23O2,-1,200.3178,200.17763,C02679,3893,30805,HMDB0000638,"",ddca,ddca,FDB003010,3756,"",ddca,"Dodecanoic acid",,cpd01741,MNXM162258,C00001221,5611,143-07-7,DTXSID5021590,POULHZVOKOAJMA-UHFFFAOYSA-M,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
ddcaACP,"Dodecanoyl-ACP (N-C12:0ACP)",C23H43N2O8PRS,-1,0,0,C05223,NaN,NaN,,"",ddcaACP,,,NaN,"",ddcaACP,"",,cpd11468,MNXM89851,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)S[*]
ddcacoa,"Lauroyl-CoA",C33H54N7O17P3S,-4,949.837,949.2822737,C01832,165436,15521,HMDB0003571,"lauroyl-CoA",ddcacoa,ddcacoa,FDB023198,145018,"LAUROYLCOA-CPD",ddcacoa,"",,cpd01260,MNXM363,,6959,6244-92-4,DTXSID10211483,YMCXGHLSVALICC-GMHMEAMDSA-J,"InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/t22-,26-,27-,28+,32-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
ddeccrn,"Lauroyl Carnitine",C19H37NO4,0,0,0,,168381,77086,HMDB0002250,"",ddeccrn,ddeccrn,FDB022928,147288,"",,"",,,,,NaN,,,FUJLYHJROOYKRA-QGZVFWFLSA-N,"InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
ddece1crn,"Dodecenoyl Carnitine",C19H35NO4,0,0,0,,NaN,NaN,,"",ddece1crn,ddece1crn,,NaN,"",,"",,,,,NaN,,,ZBZBZKZOFHGNRD-KHPPLWFESA-N,"InChI=1S/C19H35NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(20(2,3)4)15-16-18(21)22/h10-11,17H,5-9,12-16H2,1-4H3/b11-10-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([H])([H])C([O-])=O)[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
ddsmsterol,"7-Dehydrodesmosterol",C27H42O,0,382.6218,382.323566,C05107,440558,27910,HMDB0003896,"",ddsmsterol,ddsmsterol,FDB012781,389458,"",ddsmsterol,"7-Dehydrodesmosterol",,,MNXM162832,,NaN,1715-86-2,,RUSSPKPUXDSHNC-DDPQNLDTSA-N,"InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])=C3[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
debrisoquine,"Debrisoquine",C10H14N3,1,175.2303,175.1109474,C13650,2966,34665,HMDB0006543,"",debrisoquine,debrisoquine,FDB023967,2860,"",debrisoquine,"Debrisoquine",,,MNXM48845,,NaN,1131-64-2,DTXSID7022885,JWPGJSVJDAJRLW-UHFFFAOYSA-O,"InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)/p+1",[H]N([H])C(=[N+]([H])[H])N1C([H])([H])C2=C(C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H]
dec24dicoa,"2,4-Decadienoyl Coenzyme A",C31H46N7O17P3S,-4,0,0,,22833562,NaN,,"",dec24dicoa,dec24dicoa,,NaN,"",,"",,,,,NaN,,,FASAKYLWSRDQOH-IKZSJNQUSA-J,"InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b9-8+,11-10+/t20-,24-,25-,26?,30-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dec47dicoa,"4,7-Decadienoyl Coenzyme A",C31H46N7O17P3S,-4,0,0,,NaN,NaN,,"",dec47dicoa,dec47dicoa,,NaN,"",,"",,,,,NaN,,,JOAASQDQFUATHD-UBZDSFGCSA-J,"InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h5-6,8-9,18-20,24-26,30,41-42H,4,7,10-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b6-5-,9-8-/t20-,24-,25-,26+,30-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
decdicoa,"Decadienoyl Coenzyme A",C31H46N7O17P3S,-4,0,0,,22833562,NaN,,"",,decdicoa,,NaN,"",,"",,,,,NaN,,,FASAKYLWSRDQOH-IKZSJNQUSA-J,"InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b9-8+,11-10+/t20-,24-,25-,26?,30-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
decdicrn,"2-trans,4-cis-Decadienoylcarnitine",C17H29NO4,0,311.4165,311.2096584,,53481669,NaN,HMDB0013325,"",,decdicrn,FDB029385,NaN,"CPD-8261",,"",,,,,NaN,,,GDMITEPIMYKPHX-USKNYQQNSA-N,"InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(18(2,3)4)13-14-16(19)20/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+/t15-/m0/s1",[H]\C(\C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=C(\[H])C(=O)O[C@@]([H])(C([H])([H])C([H])([H])C([O-])=O)[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
decdp,"All Trans Decaprenyl Diphosphate",C50H81O7P2,-3,0,0,,NaN,NaN,,"",decdp,decdp,,NaN,"",decdp,"",,,MNXM1721,,NaN,,,FSCYHDCTHRVSKN-CMVHWAPMSA-K,"InChI=1S/C50H84O7P2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-56-59(54,55)57-58(51,52)53/h21,23,25,27,29,31,33,35,37,39H,12-20,22,24,26,28,30,32,34,36,38,40H2,1-11H3,(H,54,55)(H2,51,52,53)/p-3/b42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+,49-37+,50-39+",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
dece3coa,"3-Decenoyl Coenzyme A",C31H48N7O17P3S,-4,0,0,,16019966,NaN,,"",dece3coa,dece3coa,,NaN,"",,"",,,,,NaN,,,CQGVNMQHZQJNII-ZJZQAHHTSA-J,"InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h9-10,18-20,24-26,30,41-42H,4-8,11-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b10-9+/t20-,24-,25-,26+,30-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dece4coa,"4-Decenoyl Coenzyme A",C31H48N7O17P3S,-4,0,0,,6443609,NaN,,"",dece4coa,dece4coa,,NaN,"",,"",,,,,NaN,,,QTOYQSMKQWCWOX-CCVVLBLYSA-J,"InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-9,18-20,24-26,30,41-42H,4-7,10-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b9-8+/t20-,24-,25-,26+,30-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dectricoa,"2,4,7-Decatrienoyl Coenzyme A",C31H44N7O17P3S,-4,0,0,,NaN,NaN,,"",dectricoa,dectricoa,,NaN,"",,"",,,,,NaN,,,PIWBOAMNPNENCR-DRJHSFDESA-J,"InChI=1S/C31H48N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h5-6,8-11,18-20,24-26,30,41-42H,4,7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b6-5-,9-8-,11-10+/t20-,24-,25-,26+,30-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dedol_L,"Dehydrodolichol, Human Liver Homolog",C1080H1748O10,0,0,0,,NaN,NaN,,"",dedol_L,dedol_L,,NaN,"",dedol__L,"",,,MNXM148199,,NaN,,,,"",
dedol_U,"Dehydrodolichol, Human Uterine Homolog",C1025H1660O10,0,0,0,,NaN,NaN,,"",dedol_U,,,NaN,"",dedol_U,"",,,MNXM11319,,NaN,,,,"",
dedoldp_L,"Dehydrodolichol Diphosphate, Human Liver Homolog",C1080H1738O70P20,-30,0,0,C05859,NaN,NaN,,"",dedoldp_L,dedoldp_L,,NaN,"",dedoldp__L,"",,,MNXM148197,,NaN,,,JMVSBFJBMXQNJW-PSTDWBAXSA-K,"InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/p-3/b22-13+,23-15+,24-17-,25-19-",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(\[H])C([H])([H])C([H])([H])C(=C(\[H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
dedoldp_U,"Dehydrodolichol Diphosphate, Human Uterine Homolog",C1025H1650O70P20,-30,0,0,,NaN,NaN,,"",dedoldp_U,,,NaN,"",dedoldp_U,"",,,MNXM11315,,NaN,,,JMVSBFJBMXQNJW-PSTDWBAXSA-N,"InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17-,25-19-",[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
dedolp_L,"Dehydrodolichol Phosphate, Human Liver Homolog",C1080H1738O40P10,-20,0,0,,NaN,NaN,,"",dedolp_L,dedolp_L,,NaN,"",dedolp__L,"",,,MNXM148198,,NaN,,,HFKYPWAIIDKYIF-PSTDWBAXSA-N,"InChI=1S/C25H43O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H2,26,27,28)/b22-13+,23-15+,24-17-,25-19-",[H]OP(=O)(O[H])OC([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
dedolp_U,"Dehydrodolichol Phosphate, Human Uterine Homolog",C1025H1650O40P10,-20,0,0,,NaN,NaN,,"",dedolp_U,,,NaN,"",dedolp_U,"",,,MNXM11317,,NaN,,,JMVSBFJBMXQNJW-PSTDWBAXSA-N,"InChI=1S/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17-,25-19-",[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
dem2emgacpail_prot_hs,"Deacylated-(Phosphoethanolaminyl-Dimannosyl),(Phosphoethanolaminyl)-Mannosyl-Glucosaminyl-Acylphosphatidylinositol",C37H70N3O34P3FULLRCO2FULLR2CO2X,0,0,0,,NaN,NaN,,"",dem2emgacpail_prot_hs,dem2emgacpail_prot_hs,,NaN,"",dem2emgacpail_prot_hs,"",,,MNXM17161,,NaN,,,,"",
deoxfvs,"Deoxy-Fluvastatin-Dinor",C22H21FNNaO2,0,0,0,,NaN,NaN,,"",,deoxfvs,,NaN,"",,"",,,,,NaN,,,,"",
desfvs,"N-Des-Iso-Propyl-Fluvastatin",C21H19FNNaO4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
dextran40,"Dextran 40, 1,6-alpha-D-Glucan",C480H800O400,0,0,0,C00372,3662,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
dextrin,"Dextrin",C36H62O31,0,0,0,C00721,NaN,NaN,HMDB0006857,"",,,,NaN,"",dextrin,"",,cpd11594,MNXM49265,,58569,,,,"",
dgal6p,"6-Phospho-D-galactose",C6H11O9P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",dgal6p,"",,cpd00818,MNXM92233,,NaN,,,,"",
dgchol,"Chenodeoxycholic acid glycine conjugate",C26H43NO5,0,449.6233,449.3141235,C05466,22833540,NaN,HMDB0000637,"",dgchol,dgchol,FDB022157,17215984,"",dgchol,"",,cpd03247,MNXM8391,,5610,640-79-9,,GHCZAUBVMUEKKP-GYPHWSFCSA-N,"InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1",[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
dgcholcoa,"Chenodeoxyglycocholoyl Coenzyme A",C45H70N7O19P3S,-4,0,0,,440685,NaN,,"",dgcholcoa,dgcholcoa,,NaN,"",dgcholcoa,"",,,MNXM10921,,NaN,,,IIWDDMINEZBCTG-ILLDALFMSA-J,"InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/p-4/t24?,25-,26+,27?,28?,29?,30+,31+,34?,36+,37+,38?,42+,44-,45+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dgdp,"dGDP",C10H12N5O10P2,-3,427.2011,427.0294147,C00361,439220,28862,HMDB0000960,"",dgdp,dgdp,FDB022338,388359,"DGDP",dgdp,"Deoxyguanosine_diphosphate",,cpd00295,MNXM436,,5906,,,CIKGWCTVFSRMJU-KVQBGUIXSA-K,"InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/p-3/t4-,5+,6+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)N1C([H])=NC2=C1N=C(N([H])[H])N([H])C2=O
dgmp,"2'-Deoxyguanosine 5'-monophosphate",C10H12N5O7P,-2,347.2212,347.0630843,C00362,65059,16192,HMDB0001044,"",dgmp,dgmp,FDB022388,58570,"DGMP",dgmp,"Deoxyguanosine_monophosphate",,cpd00296,MNXM546,C00019356,NaN,902-04-5,DTXSID60426404,LTFMZDNNPPEQNG-KVQBGUIXSA-L,"InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/p-2/t4-,5+,6+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])([O-])=O)N1C([H])=NC2=C1N=C(N([H])[H])N([H])C2=O
dgpi_prot_hs,"Deacylated-Glycophosphatidylinositol (Gpi)-Anchored Protein",C39H76N4O37P4FULLRCO2FULLR2CO2X,0,0,0,,NaN,NaN,,"",dgpi_prot_hs,dgpi_prot_hs,,NaN,"",dgpi_prot_hs,"",,,MNXM17162,,NaN,,,,"",
dgsn,"Deoxyguanosine",C10H13N5O4,0,267.2413,267.0967539,C00330,187790,17172,HMDB0000085,"",dgsn,dgsn,FDB012064,163230,"DEOXYGUANOSINE",dgsn,"Deoxyguanosine",,cpd00277,MNXM647,,3395,961-07-9,DTXSID30883626,YKBGVTZYEHREMT-KVQBGUIXSA-N,"InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)C([H])([H])[C@]1([H])O[H]
dgtp,"dGTP",C10H12N5O13P3,-4,507.181,506.9957452,C00286,65103,16497,HMDB0001440,"",dgtp,dgtp,FDB022623,58613,"DGTP",dgtp,"Deoxyguanosine triphosphate",,cpd00241,MNXM344,C00019346,6248,2564-35-4,,HAAZLUGHYHWQIW-KVQBGUIXSA-J,"InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/p-4/t4-,5+,6+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)N1C([H])=NC2=C1N=C(N([H])[H])N([H])C2=O
dh6na,"1,4-dihydroxy-6-naphthoate",C11H7O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
dha,"Dihydroxyacetone",C3H6O3,0,90.0779,90.03169406,C00184,670,16016,HMDB0001882,"",dha,dha,FDB009294,650,"DIHYDROXYACETONE",dha,"Dihydroxyacetone",DB01775,cpd00157,MNXM460,,6368,96-26-4,DTXSID0025072,RXKJFZQQPQGTFL-UHFFFAOYSA-N,"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2",[H]OC([H])([H])C(=O)C([H])([H])O[H]
dhap,"Dihydroxyacetone phosphate",C3H5O6P,-2,170.0578,169.9980245,C00111,668,16108,HMDB0001473,"glycerone phosphate",dhap,dhap,FDB001618,648,"DIHYDROXY-ACETONE-PHOSPHATE",dhap,"Dihydroxyacetone phosphate",,cpd00095,MNXM77,C00007560,6262,57-04-5,DTXSID6058768,GNGACRATGGDKBX-UHFFFAOYSA-L,"InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)/p-2",[H]OC([H])([H])C(=O)C([H])([H])OP([O-])([O-])=O
dhbpt,"4a-Carbinolamine tetrahydrobiopterin",C9H13N5O3,0,239.2312,239.1018393,C00268,133246,NaN,HMDB0002215,"",dhbpt,dhbpt,FDB022911,117564,"CPD-16",dhbpt,"1,3,5-Trihydroxybenzene",,cpd00231,MNXM162257,,6552,79647-29-3,,ZHQJVZLJDXWFFX-UHFFFAOYSA-N,"InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)",[H]OC([H])(C([H])([H])[H])C([H])(O[H])C1([H])N=C2C(=O)N=C(N=C2N([H])C1([H])[H])N([H])[H]
dhcholestanate,"3a,7a-Dihydroxycoprostanic acid",C27H45O4,-1,434.6517,434.33961,,53477686,NaN,HMDB0000359,"",dhcholestanate,dhcholestanate,FDB021979,NaN,"",dhcholestanate,"",,,MNXM162671,,5348,17974-66-2,,ITZYGDKGRKKBSN-HKFUITGCSA-M,"InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/p-1/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C1([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([O-])=O)C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
dhcholestancoa,"3a,7a-Dihydroxy-5b-cholestanoyl-CoA",C48H76N7O19P3S,-4,1184.171,1183.444254,C04644,440420,15494,HMDB0002159,"",dhcholestancoa,dhcholestancoa,FDB022875,389367,"",dhcholestancoa,"",,,MNXM90923,,6517,2461-62-3,,SBYLHTNKEWSLBA-UVNMPUASSA-J,"InChI=1S/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h24-34,36,38-40,44,56-57,59-60H,7-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/p-4/t26-,27?,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dhcholoylcoa,"3a,7a-Dihydroxy-5b-cholest-24-enoyl-CoA",C48H74N7O19P3S,-4,1182.155,1181.428604,C05447,5280796,27393,HMDB0006895,"",dhcholoylcoa,dhcholoylcoa,FDB024142,4444354,"",dhcholoylcoa,"",,,MNXM163354,,NaN,,,SEBZZAWTQNNGPK-ZAVIOYSRSA-J,"InChI=1S/C48H78N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h9,24-26,28-34,36,38-40,44,56-57,59-60H,7-8,10-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/p-4/t26-,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(=C([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dhcinnm,"2,3-dihydroxicinnamic acid",C9H7O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",dhcinnm,"",,cpd09254,MNXM1130,,NaN,,,,"",
dhcrm_hs,"Dihydroceramide",C18H38NO2FULLRCO,0,567.9840088,567.5590452,,NaN,NaN,,"",dhcrm_hs,dhcrm_hs,,NaN,"",dhcrm_hs,"",,,MNXM8543,,NaN,2304-80-5,DTXSID50177594,KZTJQXAANJHSCE-OIDHKYIRSA-N,"",[H]OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
dhdascb,"Dehydroascorbic acid",C6H6O6,0,174.1082,174.0164379,C00425,210328,17242,HMDB0001264,"",dhdascb,dhdascb,FDB021459,182283,"L-DEHYDRO-ASCORBATE",dhdascb,"Dehydroascorbic acid",,,MNXM250,,342,490-83-5,,SBJKKFFYIZUCET-UHFFFAOYSA-N,"InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2",[H]OC([H])([H])C([H])(O[H])C1([H])OC(=O)C(=O)C1=O
dhdpacoa,"Cis-dihydrodiol derivative of phenylacetyl-CoA",C29H40N7O20P3S,-4,0,0,C19945,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
dhea,"Dehydroepiandrosterone",C19H28O2,0,288.4244,288.2089301,C01227,9860744,220467,HMDB0000077,"",dhea,dhea,FDB021808,8036443,"3-BETA-HYDROXYANDROST-5-EN-17-ONE",dhea,"Dehydroepiandrosterone",DB01708,cpd00904,MNXM375,,5133,53-43-0,DTXSID4020379,FMGSKLZLMKYGDP-USOAJAOKSA-N,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])C(=O)[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
dheas,"Dehydroepiandrosterone sulfate",C19H27O5S,-1,368.488,368.1657447,C04555,12594,16814,HMDB0001032,"",dheas,dheas,FDB022381,12074,"DEHYDRO-EPIANDROSTERONE-SULFATE",dheas,"Dehydroepiandrosterone sulfate",DBMET00518,cpd02774,MNXM991,,4095,651-48-9,DTXSID8040228,CZWCKYRVOZZJNM-USOAJAOKSA-M,"InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/p-1/t13-,14-,15-,16-,18-,19-/m0/s1",[H]C1=C2C([H])([H])[C@@]([H])(OS([O-])(=O)=O)C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]3(C(=O)C([H])([H])C([H])([H])[C@@]3([H])[C@]2([H])C1([H])[H])C([H])([H])[H]
dhf,"Dihydrofolic acid",C19H19N7O6,-2,443.4133,443.1553314,C00415,98792,15633,HMDB0001056,"",dhf,dhf,FDB022395,89228,"DIHYDROFOLATE",dhf,"Dihydrofolate",,cpd00330,MNXM281,C00007248,5970,4033-27-6,,OZRNSSUDZOLUSN-LBPRGKRZSA-L,"InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/p-2/t12-/m0/s1",[H]OC1=NC(=NC2=C1N=C(C([H])([H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])N2[H])N([H])[H]
dhglz,"Dehydro-Gliclazide",C15H18N3O3S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
dhlam,"Dihydrolipoamide",C8H17NOS2,0,207.357,207.0751556,C00579,663,17694,HMDB0000985,"",dhlam,dhlam,FDB022352,643,"DIHYDROLIPOAMIDE",dhlam,"Dihydrolipoamide",,cpd00449,MNXM1277,,5920,3884-47-7,,VLYUGYAKYZETRF-UHFFFAOYSA-N,"InChI=1S/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)",[H]SC([H])([H])C([H])([H])C([H])(S[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[H]
dhlpro,"Dihydrolipolprotein",H2S2X,0,0,0,C02972,NaN,16194,,"",dhlpro,dhlpro,,NaN,"",dhlpro,"",,cpd12225,MNXM1663,,NaN,,,,"",[H]SC([H])([H])C([H])([H])C([H])(S[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[*]
dhmphze,"Dihydromethanophenazine",C37H52N2O,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd08702,,,NaN,,,,"",
dhmtp,"1,2-Dihydroxy-5-(Methylthio)Pent-1-En-3-One",C6H9O3S,-1,0,0,C15606,NaN,49252,,"",,dhmtp,,NaN,"",dhmtp,"",,cpd11255,MNXM494,,NaN,,,CILXJJLQPTUUSS-XQRVVYSFSA-M,"InChI=1S/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3/p-1/b6-4-",[H]O\C([H])=C(/[O-])C(=O)C([H])([H])C([H])([H])SC([H])([H])[H]
dhna,"1,4-Dihydroxy-2-naphthoate",C11H7O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",dhna,"",,cpd02295,MNXM552,,NaN,,,,"",
dhnacoa,"1,4-Dihydroxy-2-naphthoyl-CoA",C32H38N7O19P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
dhnpt,"Dihydroneopterin",C9H13N5O4,0,0,0,,NaN,NaN,HMDB0002275,"",,,,NaN,"",dhnpt,"",,cpd02961,MNXM993,,NaN,,,,"",
dhor_S,"4,5-Dihydroorotic acid",C5H5N2O4,-1,158.1121,158.0327567,C00337,648,30865,HMDB0000528,"",dhor_S,dhor_S,FDB022096,628,"DI-H-OROTATE",dhor__S,"4,5-Dihydroorotic acid",,cpd00282,MNXM252,,5513,155-54-4,,UFIVEPVSAGBUSI-REOHCLBHSA-M,"InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/p-1/t2-/m0/s1",[H]N1C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C1=O
dhpmp,"Dihydroneopterin monophosphate",C9H12N5O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",dhpmp,"",,cpd03521,MNXM1645,,NaN,,,,"",
dhpppn,"3-(2,3-Dihydroxyphenyl)propanoate",C9H9O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",dhpppn,"",,cpd02501,MNXM826,,NaN,,,,"",
dhpt,"Dihydropteroate",C14H13N6O3,-1,0,0,,NaN,NaN,HMDB0001412,"",,,,NaN,"",dhpt,"",,cpd00683,MNXM965,,NaN,,,,"",
dhptd,"4,5-dihydroxy-2,3-pentanedione",C5H8O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",dhptd,"",,cpd08636,MNXM2449,,NaN,,,,"",
dhsql,"Dehydrosqualene",C30H48,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd14865,,,NaN,,,,"",
dhxft,"Dehypoxanthine futalosinate",C14H15O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
diact,"Diacetyl",C4H6O2,0,86.0892,86.03677944,C00741,650,16583,HMDB0003407,"",,,FDB011930,630,"DIACETYL",diact,"Diacetyl",,,MNXM1467,C00050437,6921,431-03-8,DTXSID6021583,QSJXEFYPDANLFS-UHFFFAOYSA-N,"",
didecaeth,"C12:0-Ethanolamide, Didecanoyl Ethanolamide",C14H29NO2,0,0,0,,NaN,NaN,,"",,didecaeth,,NaN,"",,"",,,,,NaN,,,QZXSMBBFBXPQHI-UHFFFAOYSA-N,"InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)15-12-13-16/h16H,2-13H2,1H3,(H,15,17)",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
didp,"dIDP",C10H11N4O10P2,-3,412.1865,412.0185157,C01344,439488,28823,HMDB0003536,"",didp,didp,FDB023189,388586,"",didp,"Diisodecyl phthalate",,,MNXM2174,,NaN,26575-15-5,,BKUSIKGSPSFQAC-RRKCRQDMSA-K,"InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/p-3/t5-,6+,7+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)N1C([H])=NC2=C1N=C([H])N([H])C2=O
digalsgalside_hs,"Digalactosylceramidesulfate",C30H55NO15SFULLRCO,-1,0,0,C06127,NaN,NaN,,"",digalsgalside_hs,digalsgalside_hs,,NaN,"",digalsgalside_hs,"",,,MNXM91564,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(OS([O-])(=O)=O)[C@@]1([H])O[H]
digalside_hs,"Galabiosylceramide (d18:1/9Z-18:1)",C30H56NO12FULLRCO,0,888.2192,887.6333919,C06126,20057273,NaN,HMDB0004832,"",digalside_hs,digalside_hs,FDB023433,16744849,"",digalside_hs,"",,,MNXM90975,,7091,77538-38-6,,YVBUQOZKCCPFCZ-VTAAUCPCSA-N,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
diglcpg140,"Diglucosyl-1,2 dimyristoylglycerol",C43H80O15,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15729,,,NaN,,,,"",
diglcpg160,"Diglucosyl-1,2 dipalmitoylglycerol",C47H88O15,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15728,,,NaN,,,,"",
diglcpg180,"Diglucosyl-1,2 distearoylglycerol",C51H96O15,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15730,,,NaN,,,,"",
diglcpgai15,"Diglucosyl-1,2 dianteisopentadecanoylglycerol",C45H84O15,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15735,,,NaN,,,,"",
diglcpgai17,"Diglucosyl-1,2 dianteisoheptadecanoylglycerol",C49H92O15,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15732,,,NaN,,,,"",
diglcpgi14,"Diglucosyl-1,2 diisotetradecanoylglycerol",C43H80O15,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15733,,,NaN,,,,"",
diglcpgi15,"Diglucosyl-1,2 diisopentadecanoylglycerol",C45H84O15,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15734,,,NaN,,,,"",
diglcpgi16,"Diglucosyl-1,2 diisohexadecanoylglycerol",C47H88O15,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15736,,,NaN,,,,"",
diglcpgi17,"Diglucosyl-1,2 diisoheptadecanoylglycerol",C49H92O15,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15731,,,NaN,,,,"",
diholineth,"Dihomo-Gamma-Linolenoyl Ethanolamide",C22H39NO2,0,0,0,,NaN,NaN,,"",,diholineth,,NaN,"",,"",,,,,NaN,,,ULQWKETUACYZLI-YHTMAJSVSA-N,"InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6+,10-9+,13-12+",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
dimp,"dIMP",C10H11N4O7P,-2,332.2066,332.0521853,C06196,91531,28806,HMDB0006555,"",dimp,dimp,FDB023969,82650,"DIMP",dimp,"Deoxyinosine_monophosphate",,,MNXM1922,,NaN,3393-18-8,,PHNGFPPXDJJADG-RRKCRQDMSA-L,"InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/p-2/t5-,6+,7+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])([O-])=O)N1C([H])=NC2=C1N=C([H])N([H])C2=O
din,"Deoxyinosine",C10H12N4O4,0,252.23,252.0858549,C05512,65058,28997,HMDB0000071,"",din,din,FDB012323,58569,"DEOXYINOSINE",din,"",,cpd03279,MNXM935,,3383,890-38-0,,VGONTNSXDCQUGY-RRKCRQDMSA-N,"InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N([H])C3=O)C([H])([H])[C@]1([H])O[H]
ditp,"2'-Deoxyinosine triphosphate",C10H11N4O13P3,-4,492.1664,491.9848461,C01345,146302,28807,HMDB0003537,"",ditp,ditp,FDB023190,129052,"",ditp,"",,,MNXM1325,,NaN,16595-02-1,DTXSID10168049,UFJPAQSLHAGEBL-RRKCRQDMSA-J,"InChI=1S/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/p-4/t5-,6+,7+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)N1C([H])=NC2=C1N=C([H])N([H])C2=O
dkdi,"D-2,3-Diketo 4-deoxy-epi-inositol",C6H8O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",dkdi,"",,cpd02631,MNXM114119,,NaN,,,,"",
dkmpp,"5-(methylthio)-2,3-Dioxopentyl phosphate",C6H9O6PS,-2,242.187,242.0013953,C15650,561,50604,HMDB0059620,"",dkmpp,dkmpp,,545,"",dkmpp,"",,cpd11295,MNXM409,,NaN,,DTXSID00151248,HKEAOVFNWRDVAJ-UHFFFAOYSA-L,"InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)/p-2",[H]C([H])([H])SC([H])([H])C([H])([H])C(=O)C(=O)C([H])([H])OP([O-])([O-])=O
dlnlcg,"8,11,14-Eicosatrienoic acid",C20H33O2,-1,0,0,C03242,5280581,53486,HMDB0002925,"",dlnlcg,dlnlcg,FDB023082,4444199,"CPD-7196",dlnlcg,"DGLA",,cpd02077,MNXM147467,,259,,,HOBAELRKJCKHQD-QNEBEIHSSA-M,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,13-12-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
dlnlcgcoa,"8Z,11Z,14Z-eicosatrienoyl-CoA",C41H64N7O17P3S,-4,1056.002,1055.360524,,16061156,NaN,HMDB0003947,"",dlnlcgcoa,dlnlcgcoa,FDB023266,17220835,"5Z8Z11Z13E-15S-15-HYDROPEROXYICOS",dlnlcgcoa,"",,cpd02263,MNXM5128,,NaN,28879-98-3,DTXSID90725270,FJWJALRUNNZIBB-DDQUOPDJSA-J,"InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,28-30,34-36,40,51-52H,4-7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dlnlcgcrn,"Gamma-Linolenic acid",C27H47NO4,0,278.4296,278.2245802,C06426,5280933,28661,HMDB0003073,"",dlnlcgcrn,dlnlcgcrn,FDB002943,4444436,"5Z13E-15S-91115-TRIHYDROXYPROSTA-",dlnlcgcrn,"gamma-Linolenic acid",,,MNXM8541,C00001226,386,506-26-3,DTXSID7046170,VZCCETWTMQHEPK-NPLRDPCCSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9?,13-12-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
dma,"Dimethylamine",C2H8N,1,45.0837,45.05784923,C00543,674,17170,HMDB0000087,"",,,FDB012589,654,"DIMETHYLAMINE",dma,"Dimethylamine",,,,C00050440,3758,124-40-3,DTXSID5024057,ROSDSFDQCJNGOL-UHFFFAOYSA-N,"InChI=1S/C2H7N/c1-3-2/h3H,1-2H3",[H]N(C([H])([H])[H])C([H])([H])[H]
dmantipyrine,"Demethylated antipyrine",C10H10N2O,0,174.1992,174.079313,C13008,70335,31530,HMDB0006240,"",dmantipyrine,dmantipyrine,FDB023854,63516,"",dmantipyrine,"Edaravone",DBMET00002,,MNXM11331,,NaN,89-25-8,DTXSID9021130,KZQYIMCESJLPQH-UHFFFAOYSA-N,"InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3",[H]N1N(C(=O)C([H])=C1C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
dmbzid,"5,6-Dimethylbenzimidazole",C9H10N2,0,0,0,,NaN,NaN,HMDB0003701,"",,,,NaN,"",dmbzid,"",,cpd01997,MNXM1531,,NaN,,,,"",
dmgly,"Dimethylglycine",C4H9NO2,0,103.1198,103.0633285,C01026,673,17724,HMDB0000092,"",dmgly,dmgly,FDB021893,653,"DIMETHYL-GLYCINE",dmgly,"Dimethylglycine",DB02083,cpd00756,MNXM464,,277,1118-68-9,DTXSID6074336,FFDGPVCHZBVARC-UHFFFAOYSA-N,"InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)",[H]C([H])([H])[N+]([H])(C([H])([H])[H])C([H])([H])C([O-])=O
dmhepcoa,"2,6-Dimethylheptanoyl-CoA",C30H48N7O17P3S,-4,903.725,903.2040234,,53477808,NaN,HMDB0006258,"",dmhepcoa,,FDB023863,NaN,"",,"",,,,,NaN,,,GPXWBKWDXPBLKS-MKXQCCAMSA-J,"InChI=1S/C30H52N7O17P3S/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37/h15-19,22-24,28,39-40H,6-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t18-,19+,22-,23-,24?,28+/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
dmhptcoa,"2,6 Dimethylheptanoyl Coenzyme A",C30H52N7O17P3S,-4,0,0,,NaN,NaN,,"",dmhptcoa,dmhptcoa,,NaN,"",dmhptcoa,"",,,MNXM8044,,NaN,,,GPXWBKWDXPBLKS-LNSOOWQSSA-J,"InChI=1S/C30H52N7O17P3S/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37/h15-19,22-24,28,39-40H,6-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t18?,19-,22-,23-,24+,28-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dmhptcrn,"2,6 Dimethylheptanoyl carnitine",C16H35NO4,0,301.4216,301.2253085,,53477823,84095,HMDB0006320,"",dmhptcrn,dmhptcrn,FDB023887,21239016,"",dmhptcrn,"",,,MNXM6683,,NaN,,,QBYXBONNCVATNQ-ARLHGKGLSA-O,"InChI=1S/C16H31NO4/c1-12(2)8-7-9-13(3)16(20)21-14(10-15(18)19)11-17(4,5)6/h12-14H,7-11H2,1-6H3/p+1/t13?,14-/m1/s1",[H]OC(=O)C([H])([H])[C@@]([H])(OC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
dmlarg,"Asymmetric dimethylarginine",C8H18N4O2,0,202.2541,202.1429758,C03626,123831,17929,HMDB0001539,"",,,FDB000508,110375,"CPD-596",,"Asymmetric dimethylarginine",,,,,6309,30315-93-6,,YDGMGEXADBMOMJ-LURJTMIESA-N,"InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N(C([H])([H])[H])C([H])([H])[H]
dmlz,"6,7-Dimethyl-8-(1-D-ribityl)lumazine",C13H18N4O6,0,0,0,,NaN,NaN,HMDB0003826,"",,,,NaN,"",dmlz,"",,cpd02656,MNXM1313,,NaN,,,,"",
dmnoncoa,"4,8 Dimethylnonanoyl Coenzyme A",C32H54N7O17P3S,-4,0,0,,NaN,NaN,,"",dmnoncoa,dmnoncoa,,NaN,"",dmnoncoa,"",,,MNXM6100,,NaN,,,YGNKJFPEXQCWDB-ANHZDMDASA-J,"InChI=1S/C32H56N7O17P3S/c1-19(2)7-6-8-20(3)9-10-23(41)60-14-13-34-22(40)11-12-35-30(44)27(43)32(4,5)16-53-59(50,51)56-58(48,49)52-15-21-26(55-57(45,46)47)25(42)31(54-21)39-18-38-24-28(33)36-17-37-29(24)39/h17-21,25-27,31,42-43H,6-16H2,1-5H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/t20?,21-,25-,26-,27+,31-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
dmnoncrn,"4,8-Dimethylnonanoyl Carnitine",C18H37NO4,0,0,0,,NaN,NaN,,"",dmnoncrn,dmnoncrn,,NaN,"",dmnoncrn,"",,,MNXM8138,,NaN,,,DDTDJDZHDFMZED-OEMAIJDKSA-N,"InChI=1S/C18H35NO4/c1-14(2)8-7-9-15(3)10-11-18(22)23-16(12-17(20)21)13-19(4,5)6/h14-16H,7-13H2,1-6H3/t15?,16-/m1/s1",[H]C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
dmphqno,"Demethylphylloquinone",C30H44O2,0,0,0,,NaN,NaN,HMDB0004649,"",,,,NaN,"",,"",,cpd09410,,,NaN,,,,"",
dmpp,"Dimethylallylpyrophosphate",C5H9O7P2,-3,246.0921,246.0058258,C00235,647,16057,HMDB0001120,"",dmpp,dmpp,FDB022434,627,"CPD-4211",dmpp,"Dimethylallylpyrophosphate",,cpd00202,MNXM132,C00007294,6016,358-72-5,DTXSID70189331,CBIDRCWHNCKSTO-UHFFFAOYSA-K,"InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)/p-3",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O
dms,"Dimethylsulfide",C2H6S,0,62.134,62.01902088,C00580,1068,17437,HMDB0002303,"",,,FDB003591,1039,"REDUCED-DMSO",dms,"Dimethylsulfide",DBMET00551,cpd00450,MNXM444,,6603,75-18-3,DTXSID9026398,QMMFVYPAHWMCMS-UHFFFAOYSA-N,"",
dmso,"Dimethyl sulfoxide",C2H6OS,0,78.133,78.0139355,C11143,679,28262,HMDB0002151,"",,,FDB000764,659,"",dmso,"Dimethyl sulfoxide",DB01093,cpd08021,MNXM745,,3985,67-68-5,DTXSID2021735,IAZDPXIOMUYVGZ-UHFFFAOYSA-N,"",
dna,"DNA",C10H17O8PR2,0,0,0,C00039,NaN,16991,,"",dna,,,NaN,"",dna,"",,,MNXM634,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])C([H])([H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])C([H])([H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])C([H])([H])[C@]1([H])O[H]
dna5mtc,"DNA 5-Methylcytosine",C11H19O8PR2,0,0,0,C02967,NaN,NaN,,"",dna5mtc,,,NaN,"",dna5mtc,"",,cpd12223,MNXM14908,,NaN,,,,"",[H]O[C@@]1([H])C([H])([H])[C@]([H])([*])O[C@]1([H])C([H])([H])OP(=O)(O[H])O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP(=O)(O[H])O[C@@]1([H])C([H])([H])[C@]([H])([*])O[C@]1([H])C([H])([H])OP(=O)(O[H])O[H])N1C([H])=C(C(=NC1=O)N([H])[H])C([H])([H])[H]
dnacsn,"DNA cytosine",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11763,,,NaN,,,,"",
dnad,"Nicotinic acid adenine dinucleotide",C21H24N6O15P2,-2,665.4178,665.1009622,C00857,165491,18304,HMDB0001179,"",dnad,dnad,FDB022469,145043,"DEAMIDO-NAD",dnad,"NAADP",,cpd00638,MNXM309,C00019568,4234,6450-77-7,,SENPVEZBRZQVST-HISDBWNOSA-L,"InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/p-2/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])([N+]3=C([H])C(=C([H])C([H])=C3[H])C([O-])=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
dnarep,"DNA replication",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd17042,,,NaN,,,,"",
doco13ac,"Erucic acid",C22H41O2,-1,338.5677,338.3184806,C08316,5281116,28792,HMDB0002068,"",doco13ac,doco13ac,FDB004287,4444561,"",doco13ac,"Erucic acid",,cpd05231,MNXM11520,C00001217,6470,112-86-7,DTXSID8026931,DPUOLQHDNGRHBS-KTKRTIGZSA-M,"InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/p-1/b10-9-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
doco13ecoa,"13-Docosenoyl Coenzyme A",C43H72N7O17P3S,-4,0,0,,24892791,NaN,,"",doco13ecoa,doco13ecoa,,NaN,"",,"",,cpd16345,,,NaN,,,OWGHRDKRIGXBJM-SPZFTOIUSA-J,"InChI=1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h11-12,30-32,36-38,42,53-54H,4-10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b12-11-/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
docohepcoa,"2,4,7,10,13,16,19-Docosaheptenoyl Coenzyme A",C43H60N7O17P3S,-4,0,0,,NaN,NaN,,"",docohepcoa,docohepcoa,,NaN,"",,"",,,,,NaN,,,HTSMCTDWAPSBNO-FFIXSAFPSA-J,"InChI=1S/C43H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-23,30-32,36-38,42,53-54H,4,7,10,13,16,19,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5+,9-8+,12-11+,15-14?,18-17+,21-20+,23-22+/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
docohexcoa,"2,4,7,10,13,16-Docosahexenoyl Coenzyme A",C43H62N7O17P3S,-4,0,0,,NaN,NaN,,"",docohexcoa,docohexcoa,,NaN,"",,"",,,,,NaN,,,AZUZBFHCVONSTM-ZXCJSVMFSA-J,"InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,14-15,17-18,20-23,30-32,36-38,42,53-54H,4-7,10,13,16,19,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b9-8-,12-11?,15-14-,18-17-,21-20-,23-22+/t32-,36+,37+,38?,42-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
docohxeth,"Docosahexaenoyl Ethanolamide",C24H37NO2,0,371.5561,371.2824294,,5283451,1006090,HMDB0013658,"",,docohxeth,FDB029628,4446571,"",,"",,,,,NaN,162758-94-3,DTXSID50678596,GEEHOLRSGZPBSM-KUBAVDMBSA-N,"InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25,27)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
docosac,"Behenic acid",C22H43O2,-1,340.5836,340.3341307,C08281,8215,28941,HMDB0000944,"",docosac,docosac,FDB021815,7923,"",docosac,"Behenic acid",,cpd05196,MNXM162817,C00001211,260,112-85-6,DTXSID3026930,UKMSUNONTOPOIO-UHFFFAOYSA-M,"InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
docosahexcoa,"3,7,10,13,16,19-Docosahexenoyl Coenzyme A",C43H62N7O17P3S,-4,0,0,,NaN,NaN,,"",docosahexcoa,docosahexcoa,,NaN,"",,"",,,,,NaN,,,SMXVAIMPVOMQLT-JFYHQLIUSA-J,"InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,21-22,30-32,36-38,42,53-54H,4,7,10,13,16,19-20,23-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5+,9-8+,12-11+,15-14+,18-17+,22-21+/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
docoscoa,"Docosanoyl-CoA",C43H74N7O17P3S,-4,1086.071,1085.407474,,53481548,NaN,HMDB0012930,"",docoscoa,docoscoa,FDB029210,NaN,"",docoscoa,"",,,MNXM10780,,NaN,,,NDDZLVOCGALPLR-JEAMVCTESA-J,"InChI=1S/C43H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h30-32,36-38,42,53-54H,4-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/t32-,36+,37+,38?,42-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
docosdiac,"Docosanedioicacid",C22H40O4,-2,0,0,,244872,NaN,,"",docosdiac,docosdiac,,NaN,"",,"",,,,,NaN,,,DGXRZJSPDXZJFG-UHFFFAOYSA-L,"InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)/p-2",[H]C([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
docteteth,"Docosatetraenoyl Ethanolamide (22:4, Delta 7, 10, 13, 16)",C24H41NO2,0,0,0,,NaN,NaN,,"",,docteteth,,NaN,"",,"",,,,,NaN,,,FMVHVRYFQIXOAF-CGRWFSSPSA-N,"InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6+,10-9+,13-12+,16-15+",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
dodecanac,"Dodecanedioic Acid",C12H20O4,-2,230.3040009,230.1518092,,12736,NaN,,"",,dodecanac,,NaN,"",,"",,,,,NaN,693-23-2,DTXSID3027297,TVIDDXQYHWJXFK-UHFFFAOYSA-L,"InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)/p-2",[H]C([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
doldp_L,"Dolichyl diphosphate",C1080H1758O70P20,-30,344.2782,344.1153762,C00621,5462166,15750,HMDB0001513,"",doldp_L,doldp_L,FDB022667,13748633,"CPD-224",doldp__L,"",,,MNXM148228,,6290,37247-98-6,,MXGLYEVGJRXBTP-QOLULZROSA-N,"InChI=1S/C25H46O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17-",[H]OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
doldp_U,"Dolichol Diphosphate, Human Uterine Homolog",C1025H1670O70P20,-30,0,0,,NaN,NaN,,"",doldp_U,,,NaN,"",doldp_U,"",,,MNXM11435,,NaN,,,MXGLYEVGJRXBTP-QOLULZROSA-K,"InChI=1S/C25H46O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H,29,30)(H2,26,27,28)/p-3/b22-13+,23-15+,24-17-",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(\[H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
dolglcp_L,"Dolichyl b-D-glucosyl phosphate",C1140H1868O90P10,-10,466.5027,466.2331694,C01246,22833557,15812,HMDB0001054,"",dolglcp_L,dolglcp_L,FDB022394,17216044,"",dolglcp__L,"",,,MNXM146386,,5969,220496-27-5,,AGLXCEGQRIYVRV-DVDHLLHCSA-N,"InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15+,25-17-/t26?,27-,28-,29+,30-,31+/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OP(=O)(O[H])OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
dolglcp_U,"Dolichyl Beta-D-Glucosyl Phosphate, Human Uterine Homolog",C1085H1780O90P10,-10,0,0,,NaN,NaN,,"",dolglcp_U,,,NaN,"",dolglcp_U,"",,,MNXM5725,,NaN,,,AGLXCEGQRIYVRV-DVDHLLHCSA-N,"InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15+,25-17-/t26?,27-,28-,29+,30-,31+/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OP(=O)(O[H])OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
dolichol_L,"Dolichol-20",C1080H1768O10,0,1382.3716,1381.27822,C00381,6433320,16091,HMDB0005176,"",dolichol_L,dolichol_L,FDB023633,4938490,"",dolichol__L,"Dolichol",,,MNXM147098,,6407,2067-66-5,,KLGBTYNAYAZPFD-QOLULZROSA-N,"InChI=1S/C25H44O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h11,13,15,17,25-26H,7-10,12,14,16,18-20H2,1-6H3/b22-13+,23-15+,24-17-",[H]OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
dolichol_U,"Dolichol, Human Uterine Homolog",C1025H1680O10,0,0,0,,NaN,NaN,,"",dolichol_U,dolichol_U,,NaN,"",dolichol_U,"",,,MNXM7321,,NaN,,,GYBNOAFGEKAZTA-QOLULZROSA-N,"InChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)/b22-13+,23-15+,24-17-",[H]OP(=O)(O[H])OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
dolmanp_L,"Dolichyl phosphate D-mannose",C1140H1868O90P10,-10,260.1358,260.0297185,C03862,3246168,1220424,HMDB0000994,"",dolmanp_L,,FDB022356,2496902,"CPD-171",dolmanp__L,"",,,MNXM145684,,5925,908211-94-9,,HXXFSFRBOHSIMQ-PQMKYFCFSA-N,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6+/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
dolmanp_U,"Dolichyl Phosphate D-Mannose, Human Uterine Homolog",C1085H1780O90P10,-10,0,0,,NaN,NaN,,"",dolmanp_U,dolmanp_U,,NaN,"",dolmanp_U,"",,,MNXM2667,,NaN,,,AGLXCEGQRIYVRV-JJMCDSPESA-N,"InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15+,25-17-/t26?,27-,28-,29+,30+,31?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(OP(=O)(O[H])OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
dolp_L,"Dolichol phosphate",C1080H1758O40P10,-20,0,0,C00110,5280322,NaN,HMDB0006353,"",dolp_L,dolp_L,FDB023901,4444045,"",dolp__L,"",,,MNXM145597,,NaN,34457-14-2,,GYBNOAFGEKAZTA-QOLULZROSA-N,"InChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)/b22-13+,23-15+,24-17-",[H]OP(=O)(O[H])OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
dolp_U,"Dolichyl Phosphate",C1025H1670O40P10,-20,0,0,,NaN,NaN,,"",dolp_U,dolp_U,,NaN,"",dolp_U,"",,,MNXM1665,,NaN,,,GYBNOAFGEKAZTA-QOLULZROSA-L,"InChI=1S/C25H45O4P/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-29-30(26,27)28/h11,13,15,17,25H,7-10,12,14,16,18-20H2,1-6H3,(H2,26,27,28)/p-2/b22-13+,23-15+,24-17-",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(\[H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])OP([O-])([O-])=O)\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
dopa,"Dopamine",C8H12NO2,1,153.1784,153.0789786,C03758,681,18243,HMDB0000073,"dopamine",dopa,dopa,FDB012163,661,"DOPAMINE",dopa,"Dopamine",DB00988,cpd02357,MNXM205,C00001408,64,62-31-7,DTXSID6022420,VYFYYTLLBUKUHU-UHFFFAOYSA-O,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2/p+1",[H]OC1=C([H])C([H])=C(C([H])=C1O[H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
dopa3glcur,"Dopamine-3-O-Glucuronide",C14H19NO8,0,0,0,,NaN,NaN,,"",,dopa3glcur,,NaN,"",,"",,,,,NaN,,,VFNIABIHYUQGBJ-BYNIDDHOSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(16)8(5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1",[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C(O[H])C([H])=C([H])C(=C2[H])C([H])([H])C([H])([H])N([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
dopa4glcur,"Dopamine glucuronide",C14H19NO8,0,329.3026,329.1110666,,3082490,NaN,HMDB0010329,"",,dopa4glcur,FDB027481,2339915,"Beta-D-Glucuronides",,"",DBMET00587,,,,NaN,38632-24-5,,CQASRCDNLNMIJY-BYNIDDHOSA-N,"InChI=1S/C14H19NO8/c15-4-3-6-1-2-8(7(16)5-6)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h1-2,5,9-12,14,16-19H,3-4,15H2,(H,20,21)/t9-,10-,11+,12-,14+/m0/s1",[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C(O[H])C([H])=C(C([H])=C2[H])C([H])([H])C([H])([H])N([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
dopa4sf,"Dopamine 4-sulfate",C8H11NO5S,0,233.242,233.0357932,C13691,123932,NaN,HMDB0004148,"",,dopa4sf,FDB023320,110461,"",,"",DBMET00565,,,,NaN,38339-02-5,DTXSID20191702,DEKNNWJXAQTLFA-UHFFFAOYSA-N,"InChI=1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)",[H]OC1=C([H])C(=C([H])C([H])=C1OS(=O)(=O)O[H])C([H])([H])C([H])([H])N([H])[H]
dopaqn,"Dopaquinone",C9H9NO4,0,195.1721,195.0531578,C00822,439316,16852,HMDB0001229,"L-dopaquinone",dopaqn,dopaqn,FDB022501,388447,"DOPAQUINONE",dopaqn,"L-Dopaquinone",,,MNXM163364,C00051838,354,4430-97-1,,AHMIDUVKSGCHAU-LURJTMIESA-N,"InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1",[H]C1=C([H])C(=C([H])C(=O)C1=O)C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
dopasf,"Dopamine 3-O-sulfate",C8H11NO5S,0,233.242,233.0357932,C13690,122136,37946,HMDB0006275,"",dopasf,dopasf,FDB023872,108936,"CPD-7649",dopasf,"",DBMET00573,,MNXM163796,,NaN,51317-41-0,DTXSID40199321,NZKRYJGNYPYXJZ-UHFFFAOYSA-N,"InChI=1S/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)",[H]OC1=C(OS([O-])(=O)=O)C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
dpcoa,"Dephospho-CoA",C21H33N7O13P2S,-2,687.554,687.148878,C00882,439335,15468,HMDB0001373,"",dpcoa,dpcoa,FDB022585,388463,"DEPHOSPHO-COA",dpcoa,"",,cpd00655,MNXM481,C00007257,3689,3633-59-8,,KDTSHFARGAKYJN-IBOSZNHHSA-L,"InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/p-2/t11-,14-,15-,16+,20-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])O[H]
drib,"Deoxyribose",C5H10O4,0,134.1305,134.0579088,C01801,22833604,28816,HMDB0003224,"",drib,drib,FDB023126,17216222,"CPD-7298",drib,"Deoxyribose",,cpd01242,MNXM90412,C00001115,3258,533-67-5,DTXSID70883428,PDWIQYODPROSQH-PYHARJCCSA-N,"InChI=1S/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2/t3-,4+,5?/m0/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(O[H])C([H])([H])[C@]1([H])O[H]
dscl,"Dihydrosirohydrochlorin",C42H41N4O16,-7,0,0,,NaN,NaN,,"",,,,NaN,"",dscl,"",,cpd01620,MNXM672,,NaN,,,,"",
dsmsterol,"Desmosterol",C27H44O,0,384.6377,384.339216,C01802,439577,17737,HMDB0002719,"",dsmsterol,dsmsterol,FDB005374,388662,"CPD-4141",dsmsterol,"Desmosterol",,,MNXM162959,C00023743,423,313-04-2,DTXSID10878676,AVSXSVCZWQODGV-DPAQBDIFSA-N,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
dspvs,"Desacyl-Dehydro-Pravastatin",C18H23NaO5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
dsT_antigen,"Disialyl-T Antigen",C36H56N3O26X,-2,0,0,G00027,NaN,NaN,,"",dsT_antigen,dsT_antigen,,NaN,"",dsT_antigen,"",,,MNXM11408,,NaN,,,,"",
dsT_antigen_rl,"released disialyl-T antigen",C36H57N3O27,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
dtbt,"Dethiobiotin",C10H17N2O3,-1,0,0,,NaN,NaN,HMDB0003581,"",,,,NaN,"",dtbt,"",,cpd01311,MNXM1020,,NaN,,,,"",
dtdp,"dTDP",C10H13N2O11P2,-3,402.1884,402.0229324,C00363,164628,18075,HMDB0001274,"",dtdp,dtdp,,144320,"TDP",dtdp,"Thymidine_diphosphate",,cpd00297,MNXM152,C00019696,6129,491-97-4,,UJLXYODCHAELLY-XLPZGREQSA-K,"InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/p-3/t6-,7+,8+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)N1C([H])=C(C(=O)N([H])C1=O)C([H])([H])[H]
dtdp4aaddg,"DTDP-4-acetamido-4,6-dideoxy-D-galactose",C18H27N3O15P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",dtdp4aaddg,"",,cpd15454,MNXM3015,,NaN,,,,"",
dtdp4addg,"DTDP-4-amino-4,6-dideoxy-D-galactose",C16H26N3O14P2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",dtdp4addg,"",,cpd02616,MNXM114295,,NaN,,,,"",
dtdp4d6dg,"4,6-Dideoxy-4-oxo-dTDP-D-glucose",C16H22N2O15P2,-2,546.3137,546.0651911,C11907,443496,16620,HMDB0001399,"",dtdp4d6dg,,FDB022601,391705,"DTDP-DEOH-DEOXY-GLUCOSE",dtdp4d6dg,"",,cpd00521,MNXM451,,6218,,,PSXWNITXWWECNY-GEOJQADCSA-L,"InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/p-2/t7-,8+,9-,10-,12+,13-,15-/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])(=O)O[C@@]1([H])O[C@@]([H])(C(=O)[C@]([H])(O[H])[C@@]1([H])O[H])C([H])([H])[H])N1C([H])=C(C(=O)N([H])C1=O)C([H])([H])[H]
dtdp4d6dm,"Dtdp-4-Dehydro-6-Deoxy-L-Mannose",C16H22N2O15P2,-2,0,0,C00688,439293,15744,,"",dtdp4d6dm,,,NaN,"",dtdp4d6dm,"",,cpd00522,MNXM2371,,NaN,,,PSXWNITXWWECNY-WPTIAVDBSA-L,"InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/p-2/t7-,8-,9+,10+,12+,13+,15?/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC1([H])O[C@]([H])(C(=O)[C@@]([H])(O[H])[C@@]1([H])O[H])C([H])([H])[H])N1C([H])=C(C(=O)N([H])C1=O)C([H])([H])[H]
dtdpglu,"dTDP-D-glucose",C16H24N2O16P2,-2,564.329,564.0757558,C00842,439324,35248,HMDB0001328,"",dtdpglu,,FDB022557,388455,"DTDP-D-GLUCOSE",dtdpglu,"",,cpd00626,MNXM1376,C00007456,6163,2196-62-5,DTXSID70332067,YSYKRGRSMLTJNL-KFQCIAAJSA-L,"InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/p-2/t7-,8+,9+,10+,11+,12-,13+,15?/m0/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C(C(=O)N([H])C3=O)C([H])([H])[H])C([H])([H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
dtdprmn,"Deoxythymidine diphosphate-l-rhamnose",C16H24N2O15P2,-2,548.3296,548.0808412,C03319,439975,35452,HMDB0006354,"",dtdprmn,,FDB023902,388998,"DTDP-RHAMNOSE",dtdprmn,"",,cpd02113,MNXM899,,NaN,2147-59-3,DTXSID50175752,ZOSQFDVXNQFKBY-CZRCVJRHSA-L,"InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/p-2/t7-,8-,9+,10+,11-,12+,13+,15?/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC1([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H])N1C([H])=C(C(=O)N([H])C1=O)C([H])([H])[H]
dtmp,"5-Thymidylic acid",C10H13N2O8P,-2,322.2085,322.056602,C00364,9700,17013,HMDB0001227,"",dtmp,dtmp,FDB022499,9319,"TMP",dtmp,"dTMP",,cpd00298,MNXM257,C00019637,6092,365-07-1,,GYOZYWVXFNDGLU-XLPZGREQSA-L,"InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/p-2/t6-,7+,8+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])([O-])=O)N1C([H])=C(C(=O)N([H])C1=O)C([H])([H])[H]
dtt,"2,3-Butanediol",C4H10O2S2,0,90.121,90.06807956,C00265,262,62064,HMDB0003156,"",dtt,,FDB011934,21106093,"CPD-346",dtt,"Dithiothreitol",,,MNXM4221,C00050411,104,513-85-9,DTXSID5041017,VHJLVAABSRFDPM-IMJSIDKUSA-N,"InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1",[H]O[C@@]([H])(C([H])([H])S[H])[C@@]([H])(O[H])C([H])([H])S[H]
dttOX,"Oxidized dithiothreitol",C4H8O2S2,0,152.235,151.9965709,C01119,439407,42147,HMDB0059664,"",dttOX,,,388524,"OXIDIZED-DITHIOTHREITOL",dttOX,"",,,MNXM2578,,NaN,,,YPGMOWHXEQDBBV-IMJSIDKUSA-N,"InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1",[H]O[C@@]1([H])C([H])([H])SSC([H])([H])[C@]1([H])O[H]
dttp,"Thymidine 5'-triphosphate",C10H13N2O14P3,-4,482.1683,481.9892628,C00459,64968,18077,HMDB0001342,"",dttp,dttp,FDB022565,58493,"TTP",dttp,"TTP",,cpd00357,MNXM394,C00019695,NaN,365-08-2,DTXSID30189998,NHVNXKFIZYSCEB-XLPZGREQSA-J,"InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/p-4/t6-,7+,8+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)N1C([H])=C(C(=O)N([H])C1=O)C([H])([H])[H]
dudp,"dUDP",C9H11N2O11P2,-3,388.1618,388.0072823,C01346,145729,28850,HMDB0001000,"",dudp,dudp,FDB022361,128553,"DUDP",dudp,"",,cpd00978,MNXM572,,5931,4208-67-7,DTXSID90194922,QHWZTVCCBMIIKE-SHYZEUOFSA-K,"InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/p-3/t5-,6+,8+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)N1C([H])=C([H])C(=O)N([H])C1=O
dump,"dUMP",C9H11N2O8P,-2,308.1819,308.0409519,C00365,65063,17622,HMDB0001409,"",dump,dump,FDB022604,58574,"DUMP",dump,"dUMP",,cpd00299,MNXM234,C00019282,6225,964-26-1,DTXSID20242223,JSRLJPSBLDHEIO-SHYZEUOFSA-L,"InChI=1S/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/p-2/t5-,6+,8+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])([O-])=O)N1C([H])=C([H])C(=O)N([H])C1=O
duri,"Deoxyuridine",C9H12N2O5,0,228.202,228.0746215,C00526,13712,16450,HMDB0000012,"",duri,duri,FDB021870,13118,"DEOXYURIDINE",duri,"Deoxyuridine",,cpd00412,MNXM492,C00019697,5086,951-78-0,DTXSID30883621,MXHRCPNRJAMMIM-SHYZEUOFSA-N,"InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=O)C([H])([H])[C@]1([H])O[H]
dutp,"Deoxyuridine triphosphate",C9H11N2O14P3,-4,468.1417,467.9736127,C00460,65070,17625,HMDB0001191,"",dutp,dutp,FDB022478,58580,"DUTP",dutp,"",,cpd00358,MNXM452,C00019636,6069,1173-82-6,,AHCYMLUZIRLXAA-SHYZEUOFSA-J,"InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/p-4/t5-,6+,8+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)N1C([H])=C([H])C(=O)N([H])C1=O
dvprotochloroph,"Divinylprotochlorophyllide",C35H28N4O5Mg,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd08631,,,NaN,,,,"",
dxtrn,"Phosphorylase-Limit Dextrin (Glycogenin-1,6{4[1,4-Glc], 4[1,4-Glc]})",C48H81O41X,0,0,0,,NaN,NaN,,"",dxtrn,dxtrn,,NaN,"",dxtrn,"",,,MNXM12672,,NaN,,,,"",
dxyl5p,"1-deoxy-D-xylulose 5-phosphate",C5H9O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",dxyl5p,"",,cpd08289,MNXM622,,NaN,,,,"",
e3mmal,"D-erythro-3-Methylmalate",C5H6O5,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
e4hglu,"Erythro-4-Hydroxy-L-Glutamate",C5H8NO5,-1,0,0,C05947,440854,NaN,,"",e4hglu,e4hglu,,NaN,"",e4hglu,"",,cpd01974,MNXM923,,NaN,,,HBDWQSHEVMSFGY-SCQFTWEKSA-M,"InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/p-1/t2-,3?/m0/s1",[H]OC([H])(C([O-])=O)C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
e4p,"D-Erythrose 4-phosphate",C4H7O7P,-2,200.0838,200.0085892,C00279,122357,48153,HMDB0001321,"",e4p,e4p,FDB001614,109096,"ERYTHROSE-4P",e4p,"erythrose-4-phosphate",,cpd00236,MNXM258,C00007472,6158,585-18-2,,NGHMDNPXVRFFGS-IUYQGCFVSA-L,"InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/p-2/t3-,4+/m0/s1",[H]O[C@@]([H])(C([H])=O)[C@]([H])(O[H])C([H])([H])OP([O-])([O-])=O
eaflatoxin,"2,3-Epoxyaflatoxin B1",C17H12O7,0,328.273,328.0583027,C19586,104756,30725,HMDB0006558,"",eaflatoxin,eaflatoxin,FDB014707,94566,"",eaflatoxin,"",,,MNXM10441,,NaN,42583-46-0,,KHBXRZGALJGBPA-IRWJRLHMSA-N,"InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12-,14-,16+,17+/m1/s1",[H]C1=C2O[C@@]3([H])O[C@]4([H])O[C@]4([H])[C@@]3([H])C2=C2OC(=O)C3=C(C2=C1OC([H])([H])[H])C([H])([H])C([H])([H])C3=O
eandrstrn,"16a-Hydroxydehydroisoandrosterone",C19H28O3,0,304.4238,304.2038448,C05139,102030,27771,HMDB0000352,"",eandrstrn,eandrstrn,FDB021975,92168,"",eandrstrn,"",,cpd03059,MNXM163801,,5341,1232-73-1,DTXSID90153892,QQIVKFZWLZJXJT-DNKQKWOHSA-N,"InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1",[H]O[C@@]1([H])C(=O)[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3([H])[C@@]([H])(C([H])([H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]34C([H])([H])[H])[C@]2([H])C1([H])[H]
ebastine,"Ebastine",C32H39NO2,0,469.6576,469.2980795,,3191,31528,HMDB0060159,"",ebastine,ebastine,,3079,"",ebastine,"Ebastine",,,MNXM51766,,NaN,90729-43-4,DTXSID6046472,MJJALKDDGIKVBE-UHFFFAOYSA-N,"InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3",[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])(OC1([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])C(=O)C2=C([H])C([H])=C(C([H])=C2[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
ebastineoh,"Hydroxylated Ebastine",C32H39NO3,0,0,0,,NaN,NaN,,"",ebastineoh,ebastineoh,,NaN,"",ebastineoh,"",,,MNXM8725,,NaN,,,UDZUMQUGNZBRMN-UHFFFAOYSA-N,"InChI=1S/C32H39NO3/c1-32(2,24-34)28-17-15-25(16-18-28)30(35)14-9-21-33-22-19-29(20-23-33)36-31(26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,29,31,34H,9,14,19-24H2,1-2H3",[H]OC([H])([H])C(C1=C([H])C([H])=C(C([H])=C1[H])C(=O)C([H])([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([H])(OC([H])(C2=C([H])C([H])=C([H])C([H])=C2[H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C1([H])[H])(C([H])([H])[H])C([H])([H])[H]
ecgon,"Ecgonine",C9H14NO3,-1,185.2203,185.1051934,C10858,443003,708641,HMDB0006548,"",ecgon,,FDB023968,391305,"CPD-9777",ecgon,"Ecgonine",DB01525,cpd07744,MNXM91187,C00002291,NaN,481-37-8,,PHMBVCPLDPDESM-FKSUSPILSA-M,"InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/p-1/t5-,6+,7-,8+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]2([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])C2([H])[H])[C@@]1([H])C([O-])=O
egACPm,"Enoylglutaryl-ACP Methyl Ester",C17H27N2O10PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
egme,"Ecgonine methyl ester",C10H17NO3,0,199.2469,199.1208434,C12448,443844,708640,HMDB0006406,"",egme,egme,FDB023911,391939,"",egme,"",,,MNXM164755,,NaN,,,QIQNNBXHAYSQRY-UYXSQOIJSA-N,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]2([H])N(C([H])([H])[H])[C@]([H])(C([H])([H])C2([H])[H])[C@@]1([H])C(=O)OC([H])([H])[H]
ei11ecoa,"11-Eicosenoyl Coenzyme A",C41H68N7O17P3S,-4,0,0,,24892790,NaN,,"",ei11ecoa,ei11ecoa,,NaN,"",,"",,cpd16344,,,NaN,,,ZDRKXADSROCWCG-FVLDFCIYSA-J,"InChI=1S/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,28-30,34-36,40,51-52H,4-10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b12-11-/t30-,34-,35-,36+,40-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
eic21114tr,"Trans,Cis,Cis-2,11,14-Eicosatrienoic Acid",C20H33O2,-1,0,0,,NaN,NaN,,"",,eic21114tr,,NaN,"",,"",,,,,NaN,,,XDSHIVGEAKXSMO-GRBWUMRTSA-M,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-3,11-12,14-15H,4-10,13,16-19H2,1H3,(H,21,22)/p-1/b3-2+,12-11+,15-14+",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H]
eicostet,"Cis-8,11,14,17-Eicosatetraenoic acid",C20H31O2,-1,304.4669,304.2402303,,11722594,71488,HMDB0002177,"",eicostet,eicostet,FDB022887,9897310,"CPD-8121",eicostet,"",,,MNXM11474,,NaN,2091-26-1,,HQPCSDADVLFHHO-LTKCOYKYSA-M,"InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13H,2,5,8,11,14-19H2,1H3,(H,21,22)/p-1/b4-3-,7-6-,10-9-,13-12-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
eicostetcoa,"Eicosatetranoyl coenzyme A",C41H62N7O17P3S,-4,1053.986,1053.344874,C16164,23724641,NaN,HMDB0060184,"",eicostetcoa,eicostetcoa,,NaN,"",eicostetcoa,"",,,MNXM5146,,NaN,,,PLHICYKOPITJJT-QWOXCLFSSA-J,"InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,28-30,34-36,40,51-52H,4,7,10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b6-5-,9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
eicostetcrn,"8Z,11Z,14Z,17Z-Eicosatetraenoylcarnitine",C27H45NO4,0,0,0,,NaN,NaN,,"",eicostetcrn,eicostetcrn,,NaN,"",eicostetcrn,"",,,MNXM8574,,NaN,,,VPEBWBVNBKLXSR-VDNIJTNNSA-N,"InChI=1S/C27H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h6-7,9-10,12-13,15-16,25H,5,8,11,14,17-24H2,1-4H3/b7-6-,10-9-,13-12-,16-15-/t25-/m1/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
eidi1114ac,"Eicosadienoic acid",C20H35O2,-1,0,0,C16525,6439848,603631,HMDB0005060,"",,eidi1114ac,FDB012619,4944228,"",,"",,,,,NaN,,,XSXIVVZCUAHUJO-AVQMFFATSA-M,"InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/p-1/b7-6+,10-9+",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
eig3p,"D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate",C6H9N2O6P,-2,0,0,,NaN,NaN,HMDB0012208,"",,,,NaN,"",eig3p,"",,cpd02843,MNXM1422,,NaN,,,,"",
eipencoa,"2,5,8,11,14-Eicosapentaenoyl Coenzyme A",C41H60N7O17P3S,-4,0,0,,NaN,NaN,,"",eipencoa,eipencoa,,NaN,"",,"",,,,,NaN,,,TUHCSUUQBQJDTC-IBYUJNRCSA-J,"InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,20-21,28-30,34-36,40,51-52H,4-7,10,13,16,19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/t30-,34-,35-,36+,40-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
eitetcoa,"5,8,11,14-Eicosatetraenoyl Coenzyme A",C41H62N7O17P3S,-4,0,0,,NaN,NaN,,"",eitetcoa,eitetcoa,,NaN,"",,"",,,,,NaN,,,JDEPVTUUCBFJIW-YQVDHACTSA-J,"InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4-7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
elaid,"Elaidic acid",C18H33O2,-1,282.4679871,282.2558803,C00712,445639,27997,HMDB0000573,"",elaid,elaid,FDB002951,553123,"",elaid,"Elaidic acid",DB04224,,MNXM92305,,3406,112-79-8,DTXSID8058619,ZQPPMHVWECSIRJ-KTKRTIGZSA-M,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
elaidcrn,"Elaidic carnitine",C25H47NO4,0,425.645,425.350509,,53477837,86038,HMDB0006464,"",elaidcrn,elaidcrn,FDB023924,NaN,"",elaidcrn,"",,,MNXM8576,,NaN,,,IPOLTUVFXFHAHI-OUKQBFOZSA-N,"InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12+",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
em2emgacpail_hs,"(Phosphoethanolaminyl-Dimannosyl),(Phosphoethanolaminyl)-Mannosyl-Glucosaminyl-Acylphosphatidylinositol (H7)",C53H100N3O35P3FULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",em2emgacpail_hs,em2emgacpail_hs,,NaN,"",em2emgacpail_hs,"",,,MNXM5386,,NaN,,,,"",
em2emgacpail_prot_hs,"(Phosphoethanolaminyl-Dimannosyl),(Phosphoethanolaminyl)-Mannosyl-Glucosaminyl-Acylphosphatidylinositol",C53H100N3O35P3FULLRCO2FULLR2CO2X,0,0,0,,NaN,NaN,,"",em2emgacpail_prot_hs,em2emgacpail_prot_hs,,NaN,"",em2emgacpail_prot_hs,"",,,MNXM9492,,NaN,,,,"",
em3gacpail_hs,"Phosphoethanolaminyl-Trimannosyl-Glucosaminyl-Acylphosphatidylinositol (H6)",C51H94N2O32P2FULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",em3gacpail_hs,em3gacpail_hs,,NaN,"",em3gacpail_hs,"",,,MNXM9024,,NaN,,,,"",
emem2gacpail_hs,"(Phosphoethanolaminyl-Mannosyl),(Phosphoethanolaminyl)-Dimannosyl-Glucosaminyl-Acylphosphatidylinositol (H7)",C53H100N3O35P3FULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",emem2gacpail_hs,emem2gacpail_hs,,NaN,"",emem2gacpail_hs,"",,,MNXM9493,,NaN,,,,"",
emgacpail_hs,"Phosphoethanolaminyl-Mannosyl-Glucosylaminyl-Acylphosphatidylinositol (H5)",C39H74N2O22P2FULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",emgacpail_hs,emgacpail_hs,,NaN,"",emgacpail_hs,"",,,MNXM9023,,NaN,,,,"",
epACPm,"Enoylpimeloyl-ACP methyl ester",C19H31N2O10PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
epoxtac,"31-O-Desmethyl,19-Hydroxy,37, 39-Epoxy-Tacrolimus",C41H63NO14,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
eryth,"L-Erythrulose",C4H8O4,0,120.1039,120.0422587,C02045,5460032,27913,HMDB0006293,"",eryth,,FDB023881,4573719,"ERYTHRULOSE",eryth,"",,,MNXM167696,,NaN,533-50-6,,UQPHVQVXLPRNCX-VKHMYHEASA-N,"InChI=1S/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2/t3-/m0/s1",[H]OC([H])([H])C(=O)[C@@]([H])(O[H])C([H])([H])O[H]
estradiol,"Estradiol",C18H24O2,0,272.382,272.17763,C00951,5757,16469,HMDB0000151,"",estradiol,estradiol,FDB000362,5554,"CPD-352",estradiol,"Estradiol",DB00783,,MNXM358,,263,50-28-2,DTXSID0020573,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",[H]OC1=C([H])C([H])=C2C(=C1[H])C([H])([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
estradiolglc,"17-beta-Estradiol-3-glucuronide",C24H32O8,0,448.5061,448.209718,C05503,13783824,36489,HMDB0006224,"",estradiolglc,estradiolglc,FDB021792,18667985,"Beta-D-Glucuronides",estradiolglc,"",DBMET00572,,MNXM91190,,NaN,,,MUOHJTRCBBDUOW-QXYWQCSFSA-N,"InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1",[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C([H])=C3C(=C2[H])C([H])([H])C([H])([H])[C@@]2([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]32[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
estriol,"Estriol",C18H24O3,0,288.3814,288.1725446,C05141,5756,27974,HMDB0000153,"",,estriol,FDB006781,5553,"",estriol,"Estriol",DBMET00492,,MNXM2673,,2581,50-27-1,DTXSID9022366,PROQIPRRNZUXQM-ZXXIGWHRSA-N,"InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1",[H]OC1=C([H])C2=C(C([H])=C1[H])[C@@]1([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])[C@@]3([H])[C@]1([H])C([H])([H])C2([H])[H]
estriolglc,"Estriol-16-Glucuronide",C24H32O9,0,464.5055,464.2046326,C05504,122281,NaN,HMDB0006766,"",,estriolglc,FDB024069,109041,"Beta-D-Glucuronides",estriolglc,"",DBMET00577,,MNXM6054,,NaN,1852-50-2,,FQYGGFDZJFIDPU-JRSYHJKYSA-N,"InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1",[H]OC(=O)[C@@]1([H])O[C@@]([H])(O[C@]2([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])C5=C(C([H])=C([H])C(O[H])=C5[H])[C@@]4([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
estrone,"Estrone",C18H22O2,0,270.3661,270.1619799,C00468,5870,17263,HMDB0000145,"",estrone,estrone,FDB012798,5660,"ESTRONE",estrone,"Estrone",DBMET00490,cpd00362,MNXM327,C00003663,264,53-16-7,DTXSID4022367,DNXHEGUUPJUMQT-CBZIJGRNSA-N,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",[H]OC1=C([H])C2=C(C([H])=C1[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]3(C(=O)C([H])([H])C([H])([H])[C@@]3([H])[C@]1([H])C([H])([H])C2([H])[H])C([H])([H])[H]
estroneglc,"Estrone glucuronide",C24H30O8,0,446.4902,446.1940679,C11133,115255,28919,HMDB0004483,"",estroneglc,estroneglc,FDB021803,103124,"ESTRONE-SULFATE",estroneglc,"",DBMET00569,,MNXM6264,,7063,2479-90-5,DTXSID20891497,FJAZVHYPASAQKM-JBAURARKSA-N,"InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1",[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC2=C([H])C3=C(C([H])=C2[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]4(C(=O)C([H])([H])C([H])([H])[C@@]4([H])[C@]2([H])C([H])([H])C3([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
estrones,"Estrone sulfate",C18H21O5S,-1,350.429,350.1187945,C02538,3001028,17474,HMDB0001425,"",estrones,estrones,FDB021804,2272513,"ESTRONE-SULFATE",estrones,"Estrone",DB04574,cpd01669,MNXM162533,,3556,481-97-0,DTXSID50891501,JKKFKPJIXZFSSB-CBZIJGRNSA-M,"InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/p-1/t14-,15-,16+,18+/m1/s1",[H]C1=C([H])C2=C(C([H])=C1OS([O-])(=O)=O)C([H])([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])C(=O)[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
etfox,"Electron Transfer Flavoprotein Oxidized",R,0,0,0,,NaN,NaN,,"",etfox,etfox,,NaN,"",etfox,"",,,MNXM11479,,NaN,,,,"",
etfrd,"Electron Transfer Flavoprotein Reduced",RH2,0,0,0,,NaN,NaN,,"",etfrd,etfrd,,NaN,"",etfrd,"",,,MNXM11480,,NaN,,,,"",
etha,"Ethanolamine",C2H8NO,1,61.0831,61.05276385,C00189,700,16000,HMDB0000149,"",etha,etha,FDB000769,13835336,"ETHANOL-AMINE",etha,"Ethanolamine",DB03994,cpd00162,MNXM218,C00007279,3207,141-43-5,DTXSID6022000,HZAXFHJVJLSVMW-UHFFFAOYSA-O,"InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2/p+1",[H]OC([H])([H])C([H])([H])[N+]([H])([H])[H]
ethamp,"O-Phosphoethanolamine",C2H7NO4P,-1,141.063,141.0190943,C00346,1015,17553,HMDB0000224,"",ethamp,ethamp,FDB021911,990,"PHOSPHORYL-ETHANOLAMINE",ethamp,"Phosphoethanolamine",DB01738,cpd00285,MNXM187,,5233,1071-23-4,DTXSID5061453,SUHOOTKUPISOBE-UHFFFAOYSA-M,"InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)/p-1",[H][N+]([H])([H])C([H])([H])C([H])([H])OP([O-])([O-])=O
ethmalac,"Ethylmalonic Acid",C5H6O4,-2,132.1150055,132.0422587,,11756,741548,HMDB0000622,"",,ethmalac,FDB022147,11263,"",,"",,,,,4180,601-75-2,DTXSID00208842,UKFXDFUAPNAMPJ-UHFFFAOYSA-L,"InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)/p-2",[H]C([H])([H])C([H])([H])C([H])(C([O-])=O)C([O-])=O
ethmalcoa,"Ethylmalonyl Coenzyme A",C26H37N7O19P3S,-5,0,0,,NaN,NaN,,"",,ethmalcoa,,NaN,"",,"",,,,,NaN,,,VUGZQVCBBBEZQE-UQCJFRAESA-I,"InChI=1S/C26H42N7O19P3S/c1-4-13(24(38)39)25(40)56-8-7-28-15(34)5-6-29-22(37)19(36)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-18(51-53(41,42)43)17(35)23(50-14)33-12-32-16-20(27)30-11-31-21(16)33/h11-14,17-19,23,35-36H,4-10H2,1-3H3,(H,28,34)(H,29,37)(H,38,39)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/t13-,14+,17+,18+,19-,23+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
ethso3,"Ethanesulfonate",C2H5O3S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",ethso3,"",,cpd11579,MNXM7343,,NaN,,,,"",
etoh,"Ethanol",C2H6O,0,46.0684,46.04186481,C00469,702,16236,HMDB0000108,"ethanol",etoh,etoh,FDB000753,682,"ETOH",etoh,"Ethanol",DB00898,cpd00363,MNXM303,C00019560,3203,64-17-5,DTXSID9020584,LFQSCWFLJHTTHZ-UHFFFAOYSA-N,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",[H]OC([H])([H])C([H])([H])[H]
eumelanin,"Eumelanin",X,0,0,0,C17937,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
f1a,"F1Alpha",C22H37N2O15X,0,0,0,,NaN,NaN,,"",f1a,f1a,,NaN,"",f1a,"",,,MNXM8598,,NaN,,,,"",
f1a_rl,"released F1alpha antigen",C22H38N2O16,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
f1p,"Fructose 1-phosphate",C6H11O9P,-2,260.1358,260.0297185,C01094,10400369,704854,HMDB0001076,"",f1p,f1p,FDB022410,8575807,"FRU1P",f1p,"Fructose 1-phosphate",,cpd00802,MNXM145568,C00019676,378,15978-08-2,DTXSID20891553,RHKKZBWRNHGJEZ-NSHGFSBMSA-L,"InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/p-2/t3-,4-,5+,6?/m0/s1",[H]OC([H])([H])[C@@]1([H])OC(O[H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]1([H])O[H]
f26bp,"D-Fructose 2,6-bisphosphate",C6H10O12P2,-4,340.1157,339.9960489,C00665,105021,28602,HMDB0001047,"",f26bp,f26bp,FDB022390,94762,"CPD-535",f26bp,"",,cpd00503,MNXM651,,5964,,,YXWOAJXNVLXPMU-ZXXMMSQZSA-J,"InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/p-4/t3-,4-,5+,6+/m1/s1",[H]OC([H])([H])[C@@]1(OP([O-])([O-])=O)O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]1([H])O[H]
f5hoxkyn,"Formyl-5-hydroxykynurenamine",C10H13N2O3,1,208.2139,208.0847923,C05647,440743,28736,HMDB0012948,"",f5hoxkyn,,FDB029224,389614,"",f5hoxkyn,"",,,MNXM92322,,NaN,2208-41-5,DTXSID00176577,CKAXPTWYSHDIBN-UHFFFAOYSA-O,"InChI=1S/C10H12N2O3/c11-4-3-10(15)8-5-7(14)1-2-9(8)12-6-13/h1-2,5-6,14H,3-4,11H2,(H,12,13)/p+1",[H]OC1=C([H])C(C(=O)C([H])([H])C([H])([H])[N+]([H])([H])[H])=C(N([H])C([H])=O)C([H])=C1[H]
f6p,"Fructose 6-phosphate",C6H11O9P,-2,260.1358,260.0297185,C00085,69507,15946,HMDB0000124,"",f6p,f6p,FDB021896,62713,"FRUCTOSE-6P",f6p,"Fructose 6-phosphate",,cpd00072,MNXM89621,C00007305,5159,643-13-0,DTXSID90889361,BGWGXPAPYGQALX-VRPWFDPXSA-L,"InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/p-2/t3-,4-,5+,6?/m1/s1",[H]OC([H])([H])C1(O[H])O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]1([H])O[H]
fa1,"Fatty acid (Iso-C14:0)",C14H27O2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",fa1,"",,cpd11430,MNXM163808,,NaN,,,,"",
fa11,"Fatty acid (Iso-C17:0)",C17H33O2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",fa11,"",,cpd11431,MNXM163384,,NaN,,,,"",
fa12,"Fatty acid (Anteiso-C17:0)",C17H33O2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",fa12,"",,cpd11433,MNXM163381,,NaN,,,,"",
fa3,"Fatty acid (Iso-C15:0)",C15H29O2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",fa3,"",,cpd11436,MNXM163382,,NaN,,,,"",
fa4,"Fatty acid (Anteiso-C15:0)",C15H29O2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",fa4,"",,cpd11438,MNXM163380,,NaN,,,,"",
fa6,"Fatty acid (iso-C16:0)",C16H31O2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",fa6,"",,cpd11440,MNXM163383,,NaN,,,,"",
fad,"FAD",C27H31N9O15P2,-2,785.5497,785.1571345,C00016,643975,16238,HMDB0001248,"FAD",fad,fad,FDB022511,559059,"FAD",fad,"FAD",DB03147,cpd00015,MNXM33,C00001500,6106,146-14-5,DTXSID4048307,VWWQXMAJTJZDQX-UYBVJOGSSA-L,"InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/p-2/t14-,15+,16+,19-,20+,21+,26+/m0/s1",[H]O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])N1C2=NC(=O)N([H])C(=O)C2=NC2=C1C([H])=C(C(=C2[H])C([H])([H])[H])C([H])([H])[H]
fadh2,"FADH",C27H33N9O15P2,-2,0,0,C01352,446013,17877,HMDB0001197,"FADH2",fadh2,fadh2,FDB022483,393487,"FADH2",fadh2,"FADH",DB03147,cpd00982,MNXM38,C00001500,6073,146-14-5,,YPZRHBJKEMOYQH-UYBVJOGSSA-L,"InChI=1S/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/p-2/t14-,15+,16+,19-,20+,21+,26+/m0/s1",[H]O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])N1C2=C(N([H])C3=C1C([H])=C(C(=C3[H])C([H])([H])[H])C([H])([H])[H])C(=O)N([H])C(=O)N2[H]
fald,"Formaldehyde",CH2O,0,30.026,30.01056469,C00067,712,16842,HMDB0001426,"",fald,fald,FDB009445,692,"FORMALDEHYDE",fald,"Formaldehyde",DB03843,cpd00055,MNXM56,C00050462,3198,50-00-0,DTXSID7020637,WSFSSNUMVMOOMR-UHFFFAOYSA-N,"InChI=1S/CH2O/c1-2/h1H2",[H]C([H])=O
fc1p,"L-Fuculose 1-phosphate",C6H11O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",fc1p,"",,cpd00806,MNXM1749,,NaN,,,,"",
fcl_L,"L-fuculose",C6H12O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",fcl__L,"",,cpd01186,MNXM1748,,NaN,,,,"",
Fcnt,"L-Fuconate",C6H12O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
fdp,"Fructose 1,6-bisphosphate",C6H10O12P2,-4,340.1157,339.9960489,C00354,172313,16905,HMDB0001058,"",fdp,fdp,FDB022397,393165,"FRUCTOSE-16-DIPHOSPHATE",fdp,"Fructose 1,6-diphosphate",,cpd00290,MNXM417,C00007386,147,488-69-7,DTXSID0048347,RNBGYGVWRKECFJ-VRPWFDPXSA-J,"InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/p-4/t3-,4-,5+,6?/m1/s1",[H]O[C@]1([H])[C@]([H])(OC(O[H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])C([H])([H])OP([O-])([O-])=O
fdxox,"Oxidized ferredoxin",X,0,0,0,C00139,NaN,NaN,,"",,,,NaN,"",fdxox,"",,cpd11621,MNXM178,,NaN,,,,"",
fdxrd,"Reduced ferredoxin",XH2,0,0,0,C00138,NaN,NaN,,"",,,,NaN,"",fdxrd,"",,cpd11620,MNXM169,,NaN,,,,"",
fe2,"Fe2+",Fe,2,55.845,55.93494213,C14818,27284,29033,HMDB0000692,"Fe2+",fe2,fe2,FDB016251,25394,"Ferric-Hydroxamate-Complexes",fe2,"Ferrous_ion",,cpd10515,MNXM111,,NaN,15438-31-0,DTXSID4042672,CWYNVVGOOAEACU-UHFFFAOYSA-N,"InChI=1S/Fe/q+2",[Fe++]
fe3,"Fe3+",Fe,3,55.845,55.93494213,C14819,29936,29034,HMDB0012943,"Fe3+",fe3,fe3,FDB029221,27815,"CPD-10134",fe3,"",,cpd10516,MNXM196,,NaN,7439-89-6,DTXSID5043710,VTLYFUHAOXGGBS-UHFFFAOYSA-N,"InChI=1S/Fe/q+3",[Fe+3]
fecrm,"Ferrichrome",C27H42FeN9O12,0,0,0,,27424,NaN,,"",,,,NaN,"",fecrm,"",,cpd03724,MNXM2825,,NaN,,,,"",
fgam,"5'-Phosphoribosyl-N-formylglycinamide",C8H13N2O9P,-2,314.1865,314.0515166,C04376,130805,NaN,HMDB0001308,"",fgam,fgam,FDB022544,115687,"5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE",fgam,"",,cpd02678,MNXM453,,NaN,,,VDXLUNDMVKSKHO-LLRQIJQNSA-L,"InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/p-2/t4-,6-,7-,8?/m0/s1",[H]O[C@@]1([H])C([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N([H])C(=O)C([H])([H])N([H])C([H])=O
ficytC,"Ferricytochrome C",C42H54FeN8O6S2,3,0,0,C00125,NaN,15991,,"",ficytC,ficytC,,NaN,"",ficytC,"",,cpd00109,MNXM5749,,NaN,9007-43-6,DTXSID6046894,LJXGOQXYUKNTOR-VQGVYVAWSA-L,"InChI=1S/C42H54N8O6S2.Fe/c1-19-25(9-11-37(51)52)33-16-34-26(10-12-38(53)54)20(2)30(48-34)14-35-40(24(6)58-18-28(44)42(56)46-8)22(4)32(50-35)15-36-39(21(3)31(49-36)13-29(19)47-33)23(5)57-17-27(43)41(55)45-7;/h13-16,23-24,27-28H,9-12,17-18,43-44H2,1-8H3,(H6,45,46,47,48,49,50,51,52,53,54,55,56);/q;+3/p-2/b29-13-,30-14-,31-13-,32-15-,33-16-,34-16-,35-14-,36-15-;",[Fe+3].[H]OC(=O)C([H])([H])C([H])([H])C1=C(/C2=C([H])/C3=N/C(=C([H])\C4=C(C(=C([N-]4)/C([H])=C4\N=C(\C(\[H])=C\1/[N-]\2)C(=C4C([H])([H])[H])C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])[H])C([H])(SC([H])([H])C([H])(N([H])[H])C(=O)N([H])C([H])([H])[H])C([H])([H])[H])/C(=C3C([H])(SC([H])([H])C([H])(N([H])[H])C(=O)N([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
fmfur,"Formylmethanofuran",C35H39N4O16,-5,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd00735,,,NaN,,,,"",
fmn,"Flavin Mononucleotide",C17H19N4O9P,-2,456.3438,456.1046148,C00061,643976,17621,HMDB0001520,"",fmn,fmn,FDB001984,559060,"FMN",fmn,"FMN",,cpd00050,MNXM119,C00019686,6295,146-17-8,DTXSID8023559,FVTCRASFADXXNN-SCRDCRAPSA-L,"InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/p-2/t11-,12+,14-/m0/s1",[H]O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])N1C2=NC(=O)N([H])C(=O)C2=NC2=C([H])C(=C(C([H])=C12)C([H])([H])[H])C([H])([H])[H]
fmnh2,"Reduced FMN",C17H21N4O9P,-2,0,0,,NaN,NaN,HMDB0001142,"",,,,NaN,"",fmnh2,"",,cpd01270,MNXM208,,NaN,,,,"",
fn2m2masn,"N4-{N-Acetyl-Beta-D-Glucosaminyl-(1,2)-Alpha-D-Mannosyl-(1,3)-[N-Acetyl-Beta-D-Glucosaminyl-(1,2)-Alpha-D-Mannosyl-(1,6)]-Beta-D-Mannosyl-(1,4)-N-Acetyl-Beta-D-Glucosaminyl-(1,4)-[Alpha-L-Fucosyl-(1,6)]-N-Acetyl-Beta-D-Glucosaminyl}Asparagine",C56H93N4O39X,0,0,0,G00016,NaN,32984,,"",fn2m2masn,,,NaN,"",fn2m2masn,"",,,MNXM12419,,NaN,,,ZIOILIBSCHTXHY-XXTOJQTLSA-N,"InChI=1S/C60H100N6O42/c1-14-32(77)42(87)45(90)57(96-14)94-13-26-48(40(85)28(62-15(2)72)52(97-26)66-27(76)6-19(61)53(92)93)104-56-31(65-18(5)75)41(86)47(24(11-71)102-56)105-58-46(91)49(106-60-51(44(89)36(81)23(10-70)101-60)108-55-30(64-17(4)74)39(84)34(79)21(8-68)99-55)37(82)25(103-58)12-95-59-50(43(88)35(80)22(9-69)100-59)107-54-29(63-16(3)73)38(83)33(78)20(7-67)98-54/h14,19-26,28-52,54-60,67-71,77-91H,6-13,61H2,1-5H3,(H,62,72)(H,63,73)(H,64,74)(H,65,75)(H,66,76)(H,92,93)/t14-,19-,20+,21+,22+,23+,24+,25+,26+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-,46-,47+,48+,49-,50-,51-,52+,54-,55-,56-,57+,58-,59-,60+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C(O[H])=N[C@]1([H])O[C@]([H])(C([H])([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[C@@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])N=C(O[H])C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])N=C(O[H])C([H])([H])[H])[C@]3([H])O[H])[C@]([H])(O[H])[C@@]2([H])N=C(O[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])N=C(O[H])C([H])([H])[H]
fna5moxam,"Acetyl-N-formyl-5-methoxykynurenamine",C13H16N2O4,0,264.2771,264.111007,C05642,171161,NaN,HMDB0004259,"",fna5moxam,fna5moxam,FDB023355,149637,"",fna5moxam,"",,,MNXM163810,,NaN,52450-38-1,DTXSID90200451,JYWNYMJKURVPFH-UHFFFAOYSA-N,"InChI=1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)",[H]N(C([H])=O)C1=C(C([H])=C(OC([H])([H])[H])C([H])=C1[H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H]
focytC,"Ferrocytochrome C",C42H54FeN8O6S2,2,0,0,C00126,NaN,16928,,"",focytC,focytC,,NaN,"",focytC,"",,cpd00110,MNXM5749,,NaN,9007-43-6,DTXSID6046894,WFVBWSTZNVJEAY-VQGVYVAWSA-L,"InChI=1S/C42H54N8O6S2.Fe/c1-19-25(9-11-37(51)52)33-16-34-26(10-12-38(53)54)20(2)30(48-34)14-35-40(24(6)58-18-28(44)42(56)46-8)22(4)32(50-35)15-36-39(21(3)31(49-36)13-29(19)47-33)23(5)57-17-27(43)41(55)45-7;/h13-16,23-24,27-28H,9-12,17-18,43-44H2,1-8H3,(H6,45,46,47,48,49,50,51,52,53,54,55,56);/q;+2/p-2/b29-13-,30-14-,31-13-,32-15-,33-16-,34-16-,35-14-,36-15-;",[Fe++].[H]OC(=O)C([H])([H])C([H])([H])C1=C(/C2=C([H])/C3=N/C(=C([H])\C4=C(C(=C([N-]4)/C([H])=C4\N=C(\C(\[H])=C\1/[N-]\2)C(=C4C([H])([H])[H])C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])[H])C([H])(SC([H])([H])C([H])(N([H])[H])C(=O)N([H])C([H])([H])[H])C([H])([H])[H])/C(=C3C([H])(SC([H])([H])C([H])(N([H])[H])C(=O)N([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
fol,"Folic acid",C19H18N7O6,-1,441.3975,441.1396814,C00504,6037,27470,HMDB0000121,"",fol,fol,FDB014504,5815,"FOLATE",fol,"Folic acid",DB00158,cpd00393,MNXM617,C00001539,246,59-30-3,DTXSID0022519,OVBPIULPVIDEAO-LBPRGKRZSA-M,"InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/p-1/t12-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])C2=NC3=C(N=C2[H])N=C(N([H])[H])N([H])C3=O)C([H])=C1[H])C([O-])=O
for,"Formic acid",CH1O2,-1,46.0254,46.00547931,C00058,284,30751,HMDB0000142,"",for,for,FDB012804,278,"FORMATE",for,"Formic acid",DB01942,cpd00047,MNXM39,C00001182,3202,64-18-6,DTXSID2024115,BDAGIHXWWSANSR-UHFFFAOYSA-M,"InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1",[H]C([O-])=O
forglu,"Formiminoglutamic acid",C6H8N2O4,-2,174.1546,174.0640568,C00439,439233,7274,HMDB0000854,"",forglu,forglu,FDB022280,388370,"N-FORMIMINO-L-GLUTAMATE",forglu,"Formiminoglutamic acid",,cpd00344,MNXM496,,5817,816-90-0,,NRXIKWMTVXPVEF-BYPYZUCNSA-L,"InChI=1S/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)/p-2/t4-/m0/s1",[H]N=C([H])N([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O
formcoa,"Formyl-CoA",C22H32N7O17P3S,-4,795.544,795.110123,C00798,439313,15522,HMDB0003419,"",formcoa,formcoa,FDB023169,388444,"FORMYL-COA",formcoa,"",,,MNXM563,,NaN,13131-49-2,,SXMOKYXNAPLNCW-GORZOVPNSA-J,"InChI=1S/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/p-4/t12-,15-,16-,17+,21-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC([H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
fpram,"Phosphoribosylformylglycineamidine",C8H15N3O8P,-1,313.2017,313.067501,C04640,440417,18413,HMDB0000999,"",fpram,fpram,FDB022360,7830994,"5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE",fpram,"",,cpd02826,MNXM568,,5930,37721-04-3,,PMCOGCVKOAOZQM-LLRQIJQNSA-M,"InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17)/p-1/t4-,6-,7-,8?/m0/s1",[H]O[C@@]1([H])C([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N([H])C(=[N+]([H])[H])C([H])([H])N([H])C([H])=O
fprica,"Phosphoribosyl formamidocarboxamide",C10H13N4O9P,-2,366.2213,366.0576646,C04734,166760,18381,HMDB0001439,"",fprica,fprica,FDB022622,145893,"PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE",fprica,"",,cpd02884,MNXM456,,6247,,,ABCOOORLYAOBOZ-DEGSGYPDSA-L,"InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/p-2/t4-,6-,7-,10-/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC(C(=O)N([H])[H])=C1N([H])C([H])=O
frdp,"Farnesyl pyrophosphate",C15H25O7P2,-3,382.33,382.1310272,C00448,445713,17407,HMDB0000961,"",frdp,frdp,FDB022339,393270,"FARNESYL-PP",frdp,"Farnesyl pyrophosphate",,cpd00350,MNXM34,C00000907,403,13058-04-3,,VWFJDQUYCIWHTN-UHFFFAOYSA-K,"InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/p-3",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)C([H])([H])[H])C([H])([H])[H]
frmd,"Formamide",CH3NO,0,45.0406,45.02146372,C00488,713,16397,HMDB0001536,"",,,FDB022677,693,"FORMAMIDE",frmd,"Formamide",,cpd00378,MNXM1231,,4182,75-12-7,DTXSID8025337,ZHNUHDYFZUAESO-UHFFFAOYSA-N,"InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)",
fru,"D-Fructose",C6H12O6,0,180.1559,180.0633881,C02336,439709,28645,HMDB0000660,"",fru,fru,FDB012528,388775,"BETA-D-FRUCTOSE",fru,"FRU",,cpd00082,MNXM175,C00033848,135,53188-23-1,DTXSID5023081,RFSUNEUAIZKAJO-ARQDHWQXSA-N,"InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@](O[H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
fruur,"D-Fructuronate",C6H9O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",fruur,"",,cpd00672,MNXM1660,,NaN,,,,"",
ftz,"Futalosinate",C19H17N4O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
fuc_L,"L-Fucose",C6H12O5,0,164.1565,164.0684735,C01019,17106,2181,HMDB0000174,"",fuc_L,fuc_L,FDB020543,16190,"L-FUCOSE",fuc__L,"L-Fucose",,cpd00751,MNXM40586,C00035100,268,2438-80-4,DTXSID50883845,SHZGCJCMOBCMKK-DHVFOXMCSA-N,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1",[H]OC1([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
fuc12gal14acglcgalgluside_hs,"Type Iih Glycolipid",C50H89N2O26FULLRCO,0,0,0,,NaN,NaN,,"",fuc12gal14acglcgalgluside_hs,fuc12gal14acglcgalgluside_hs,,NaN,"",fuc12gal14acglcgalgluside_hs,"",,,MNXM7855,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
fuc132galacglcgal14acglcgalgluside_hs,"V3Fuc-Nlc6Cer",C64H112N3O36FULLRCO,0,0,0,G00089,NaN,NaN,,"",fuc132galacglcgal14acglcgalgluside_hs,fuc132galacglcgal14acglcgalgluside_hs,,NaN,"",fuc132galacglcgal14acglcgalgluside_hs,"",,,MNXM13247,,NaN,,,,"",
fuc13galacglcgal14acglcgalgluside_hs,"Iii3Fuc-Nlc6Cer",C64H112N3O36FULLRCO,0,0,0,G00076,NaN,NaN,,"",fuc13galacglcgal14acglcgalgluside_hs,fuc13galacglcgal14acglcgalgluside_hs,,NaN,"",fuc13galacglcgal14acglcgalgluside_hs,"",,,MNXM8728,,NaN,,,,"",
fuc14galacglcgalgluside_hs,"Lea Glycolipid",C50H89N2O26FULLRCO,0,0,0,,NaN,NaN,,"",fuc14galacglcgalgluside_hs,fuc14galacglcgalgluside_hs,,NaN,"",fuc14galacglcgalgluside_hs,"",,,MNXM8834,,NaN,,,,"",
fuc15lctn,"L-Fucono-1,5-lactone",C6H10O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
fuc1p_L,"Fucose 1-phosphate",C6H11O8P,-2,244.1364,244.0348039,C02985,439871,28319,HMDB0001265,"",fuc1p_L,fuc1p_L,FDB022520,388911,"CPD-488",fuc1p__L,"",,cpd01912,MNXM1727,,6120,16562-58-6,,PTVXQARCLQPGIR-DHVFOXMCSA-L,"InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/p-2/t2-,3+,4+,5-,6?/m0/s1",[H]O[C@]1([H])C([H])(OP([O-])([O-])=O)O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
fucacgalfucgalacglcgalgluside_hs,"(Gal)2 (GalNac)1 (Glc)1 (GlcNac)1 (LFuc)2 (Cer)1",C64H112N3O35FULLRCO,0,0,0,G00043,NaN,NaN,,"",fucacgalfucgalacglcgalgluside_hs,fucacgalfucgalacglcgalgluside_hs,,NaN,"",fucacgalfucgalacglcgalgluside_hs,"",,,MNXM7937,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])[C@]([H])(O[C@@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
fucacngal14acglcgalgluside_hs,"Iv3-A-Neuac,Iii3-A-Fuc-Nlc4Cer",C61H105N3O34FULLRCO,-1,0,0,G00063,NaN,NaN,,"",fucacngal14acglcgalgluside_hs,fucacngal14acglcgalgluside_hs,,NaN,"",fucacngal14acglcgalgluside_hs,"",,,MNXM8780,,NaN,,,FYESHYJKKINHMB-LLXKOZIISA-M,"InChI=1S/C62H107N3O35/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(74)30(63-26-71)25-89-57-47(84)45(82)50(36(23-69)94-57)95-59-48(85)54(42(79)34(21-67)91-59)98-56-39(65-29(4)73)53(97-58-46(83)44(81)40(77)27(2)90-58)51(37(24-70)93-56)96-60-49(86)55(43(80)35(22-68)92-60)100-62(61(87)88)19-32(75)38(64-28(3)72)52(99-62)41(78)33(76)20-66/h17-18,26-27,30-60,66-70,74-86H,5-16,19-25H2,1-4H3,(H,63,71)(H,64,72)(H,65,73)(H,87,88)/p-1/t27-,30-,31+,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+,45+,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,56-,57+,58-,59-,60-,62-/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[C@@](O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@]3([H])[C@]([H])(O[C@@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([H])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]3([H])O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
fucacngalacglcgalgluside_hs,"Iv3-A-Neu5Ac,Iii4-A-Fuc-Lc4Cer",C61H105N3O34FULLRCO,-1,0,0,,NaN,NaN,,"",fucacngalacglcgalgluside_hs,fucacngalacglcgalgluside_hs,,NaN,"",fucacngalacglcgalgluside_hs,"",,,MNXM8779,,NaN,,,,"",
fucfuc12gal14acglcgalgluside_hs,"Ley Glycolipid",C56H99N2O30FULLRCO,0,0,0,,NaN,NaN,,"",fucfuc12gal14acglcgalgluside_hs,fucfuc12gal14acglcgalgluside_hs,,NaN,"",fucfuc12gal14acglcgalgluside_hs,"",,,MNXM8840,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@]2([H])[C@]([H])(O[C@@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]2([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])O[H])[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
fucfuc132galacglcgal14acglcgalgluside_hs,"V3Fuc,Iii3Fuc-Nlc6Cer",C70H122N3O40FULLRCO,0,0,0,,NaN,NaN,,"",fucfuc132galacglcgal14acglcgalgluside_hs,fucfuc132galacglcgal14acglcgalgluside_hs,,NaN,"",fucfuc132galacglcgal14acglcgalgluside_hs,"",,,MNXM9221,,NaN,,,,"",
fucfucfucgalacglc13galacglcgal14acglcgalgluside_hs,"(Gal)4 (Glc)1 (GlcNac)3 (LFuc)3 (Cer)1",C90H155N4O54FULLRCO,0,0,0,,NaN,NaN,,"",fucfucfucgalacglc13galacglcgal14acglcgalgluside_hs,fucfucfucgalacglc13galacglcgal14acglcgalgluside_hs,,NaN,"",fucfucfucgalacglc13galacglcgal14acglcgalgluside_hs,"",,,MNXM7942,,NaN,,,,"",
fucfucfucgalacglcgal14acglcgalgluside_hs,"(Gal)3 (Glc)1 (GlcNac)2 (LFuc)3 (Cer)1",C76H132N3O44FULLRCO,0,0,0,,NaN,NaN,,"",fucfucfucgalacglcgal14acglcgalgluside_hs,fucfucfucgalacglcgal14acglcgalgluside_hs,,NaN,"",fucfucfucgalacglcgal14acglcgalgluside_hs,"",,,MNXM7940,,NaN,,,,"",
fucfucgalacglc13galacglcgal14acglcgalgluside_hs,"(Gal)4 (Glc)1 (GlcNac)3 (LFuc)2 (Cer)1",C84H145N4O50FULLRCO,0,0,0,,NaN,NaN,,"",fucfucgalacglc13galacglcgal14acglcgalgluside_hs,fucfucgalacglc13galacglcgal14acglcgalgluside_hs,,NaN,"",fucfucgalacglc13galacglcgal14acglcgalgluside_hs,"",,,MNXM9480,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(OC([H])([H])[C@@]3([H])O[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]5([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]6([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]5([H])O[H])O[C@]4([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]5([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[C@]5([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H])[C@]([H])(O[H])[C@@]4([H])N([H])C(=O)C([H])([H])[H])[C@@]3([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
fucfucgalacglcgal14acglcgalgluside_hs,"(Gal)3 (Glc)1 (GlcNac)2 (LFuc)2 (Cer)1",X,0,0,0,,NaN,NaN,,"",fucfucgalacglcgal14acglcgalgluside_hs,fucfucgalacglcgal14acglcgalgluside_hs,,NaN,"",fucfucgalacglcgal14acglcgalgluside_hs,"",,,MNXM9474,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])[C@]([H])(O[C@@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
fucfucgalacglcgalacglcgal14acglcgalgluside_hs,"(Gal)4 (Glc)1 (GlcNac)3 (LFuc)2 (Cer)1",C84H145N4O50FULLRCO,0,0,0,,NaN,NaN,,"",fucfucgalacglcgalacglcgal14acglcgalgluside_hs,fucfucgalacglcgalacglcgal14acglcgalgluside_hs,,NaN,"",fucfucgalacglcgalacglcgal14acglcgalgluside_hs,"",,,MNXM9479,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(OC([H])([H])[C@@]3([H])O[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]5([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]6([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]5([H])O[H])O[C@]4([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]5([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[C@]5([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H])[C@]([H])(O[H])[C@@]4([H])N([H])C(=O)C([H])([H])[H])[C@@]3([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
fucfucgalacglcgalgluside_hs,"Leb Glycolipid",C56H99N2O30FULLRCO,0,0,0,,NaN,NaN,,"",fucfucgalacglcgalgluside_hs,fucfucgalacglcgalgluside_hs,,NaN,"",fucfucgalacglcgalgluside_hs,"",,,MNXM8835,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])[C@]([H])(O[C@@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])[C@]2([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
fucgal14acglcgalgluside_hs,"Lacto-N-Fucopentaosyl Iii Ceramide",C50H89N2O26FULLRCO,0,0,0,,NaN,NaN,,"",fucgal14acglcgalgluside_hs,fucgal14acglcgalgluside_hs,,NaN,"",fucgal14acglcgalgluside_hs,"",,,MNXM8833,,NaN,,,,"",
fucgalacgalfuc12gal14acglcgalgluside_hs,"Type Iiih Glycolipid",C70H122N3O40FULLRCO,0,0,0,G00058,NaN,NaN,,"",fucgalacgalfuc12gal14acglcgalgluside_hs,fucgalacgalfuc12gal14acglcgalgluside_hs,,NaN,"",fucgalacgalfuc12gal14acglcgalgluside_hs,"",,,MNXM13200,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@]([H])(O[C@@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]5([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]6([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]5([H])O[H])O[C@]4([H])C([H])([H])O[H])[C@]3([H])O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])C([H])([H])O[H])[C@]2([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
fucgalacgalfucgalacglcgal14acglcgalgluside_hs,"(Gal)4 (GalNac)1 (Glc)1 (GlcNac)2 (LFuc)2 (Cer)1",X,0,0,0,,NaN,NaN,,"",fucgalacgalfucgalacglcgal14acglcgalgluside_hs,fucgalacgalfucgalacglcgal14acglcgalgluside_hs,,NaN,"",fucgalacgalfucgalacglcgal14acglcgalgluside_hs,"",,,MNXM9477,,NaN,,,,"",
fucgalacglc13galacglcgal14acglcgalgluside_hs,"(Gal)4 (Glc)1 (GlcNac)3 (LFuc)1 (Cer)1",X,0,0,0,,NaN,NaN,,"",fucgalacglc13galacglcgal14acglcgalgluside_hs,fucgalacglc13galacglcgal14acglcgalgluside_hs,,NaN,"",fucgalacglc13galacglcgal14acglcgalgluside_hs,"",,,MNXM9478,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]5([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]6([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]5([H])O[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]5([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[C@]5([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]5([H])O[H])[C@]([H])(O[H])[C@@]4([H])N([H])C(=O)C([H])([H])[H])[C@]3([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
fucgalacglcgal14acglcgalgluside_hs,"Vi2Fuc-Nlc6",C64H112N3O36FULLRCO,0,0,0,G00071,NaN,NaN,,"",fucgalacglcgal14acglcgalgluside_hs,fucgalacglcgal14acglcgalgluside_hs,,NaN,"",fucgalacglcgal14acglcgalgluside_hs,"",,,MNXM7881,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]5([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]6([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]5([H])O[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
fucgalacglcgalgluside_hs,"Type Ih Glycolipid",C50H89N2O26FULLRCO,0,0,0,,NaN,NaN,,"",fucgalacglcgalgluside_hs,fucgalacglcgalgluside_hs,,NaN,"",fucgalacglcgalgluside_hs,"",,,MNXM91322,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])[C@]2([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
fucgalfucgalacglcgalgluside_hs,"(Gal)3 (Glc)1 (GlcNac)1 (LFuc)2 (Cer)1",C62H109N2O35FULLRCO,0,0,0,,NaN,NaN,,"",fucgalfucgalacglcgalgluside_hs,fucgalfucgalacglcgalgluside_hs,,NaN,"",fucgalfucgalacglcgalgluside_hs,"",,,MNXM7939,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])[C@]([H])(O[C@@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
fucgalgbside_hs,"Fucosyl Galactosylgloboside",C56H99N2O31FULLRCO,0,0,0,,NaN,NaN,,"",fucgalgbside_hs,fucgalgbside_hs,,NaN,"",fucgalgbside_hs,"",,,MNXM8618,,NaN,,,,"",
fum,"Fumaric acid",C4H2O4,-2,116.0722,116.0109586,C00122,444972,18012,HMDB0000134,"",fum,fum,FDB003291,10197150,"FUM",fum,"Fumaric acid",DB04299,cpd00106,MNXM93,C00001183,3242,110-17-8,DTXSID3021518,VZCYOOQTPOCHFL-OWOJBTEDSA-L,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+",[H]\C(=C(\[H])C([O-])=O)C([O-])=O
fvs,"Fluvastatin",C24H25FNNaO4,0,411.4729919,411.1845865,DB01095,446155,38565,,"",,fvs,,393587,"",,"Fluvastatin",DB01095,,,,NaN,93957-54-1,DTXSID2020636,FJLGEFLZQAZZCD-MCBHFWOFSA-N,"",
fvscoa,"Fluvastatin-CoA form",C45H56FN8NaO19P3S,-4,0,0,,NaN,NaN,,"",,fvscoa,,NaN,"",,"",,,,,NaN,,,,"",
fvsgluc,"Fluvstatin-Glucuronide",C30H32FNNaO10,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
fvstet,"Des-Isopropyl-Dihydro-Fluvastatin-Tetranor",C17H13FNNaO2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
fvstetglu,"Des-Isopropyl-Dihydro-Lluvastatin-Tetranor-Glucuronide",C23H20FNNaO8,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
g15lac,"Gluconolactone",C6H10O6,0,0,0,,NaN,NaN,HMDB0000150,"",,,,NaN,"",g15lac,"",,cpd00170,MNXM167510,,NaN,,,,"",
g1m6masnB1,"Glucosyl-(Alpha-D-Mannosyl)6-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine (Protein)",C64H107N2O50X,0,0,0,,NaN,NaN,,"",g1m6masnB1,,,NaN,"",g1m6masnB1,"",,,MNXM7383,,NaN,,,,"",
g1m7masnB,"Glucosyl-(Alpha-D-Mannosyl)7-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine, Isoform B (Protein)",C70H117N2O55X,0,0,0,,NaN,NaN,,"",g1m7masnB,,,NaN,"",g1m7masnB,"",,,MNXM7384,,NaN,,,,"",
g1m7masnC,"Glucosyl-(Alpha-D-Mannosyl)7-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine, Isoform C (Protein)",C70H117N2O55X,0,0,0,,NaN,NaN,,"",g1m7masnC,,,NaN,"",g1m7masnC,"",,,MNXM7385,,NaN,,,,"",
g1m8masn,"(Alpha-D-Glucosyl)-(Alpha-D-Mannosyl)8-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine (Protein)",C76H127N2O60X,0,0,0,,NaN,NaN,,"",g1m8masn,,,NaN,"",g1m8masn,"",,,MNXM5381,,NaN,,,,"",
g1m8mpdol_L,"Alpha-D-Glucosyl-(Alpha-D-Mannosyl)8-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Liver Homolog",C1840H3028N20O670P20,-20,0,0,G10598,NaN,NaN,,"",g1m8mpdol_L,,,NaN,"",g1m8mpdol__L,"",,,MNXM148041,,NaN,,,,"",
g1m8mpdol_U,"Alpha-D-Glucosyl-(Alpha-D-Mannosyl)8-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Uterine Homolog",C1785H2940N20O670P20,-20,0,0,,NaN,NaN,,"",g1m8mpdol_U,,,NaN,"",g1m8mpdol_U,"",,,MNXM10654,,NaN,,,,"",
g1p,"Glucose 1-phosphate",C6H11O9P,-2,260.1358,260.0297185,C00103,439165,16077,HMDB0001586,"",g1p,g1p,FDB021830,388311,"GLC-1-P",g1p,"Glucose 1-phosphate",,cpd00089,MNXM89588,C00007482,6331,59-56-3,DTXSID90889321,HXXFSFRBOHSIMQ-GASJEMHNSA-L,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5-,6?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(OP([O-])([O-])=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
g1p_B,"Beta D-Glucose 1-phosphate",C6H11O9P,-2,0,0,C00663,NaN,NaN,,"",,,,NaN,"",g1p_B,"",,cpd00501,MNXM679,,63204,,,,"",
g2m8masn,"(Alpha-D-Glucosyl)2-(Alpha-D-Mannosyl)8-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine (Protein)",C82H137N2O65X,0,0,0,,NaN,NaN,,"",g2m8masn,,,NaN,"",g2m8masn,"",,,MNXM6531,,NaN,,,,"",
g2m8mpdol_L,"(Alpha-D-Glucosyl)2-(Alpha-D-Mannosyl)8-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Liver Homolog",C1900H3128N20O720P20,-20,0,0,G10599,NaN,NaN,,"",g2m8mpdol_L,,,NaN,"",g2m8mpdol__L,"",,,MNXM147643,,NaN,,,,"",
g2m8mpdol_U,"(Alpha-D-Glucosyl)2-(Alpha-D-Mannosyl)8-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Uterine Homolog",C1845H3040N20O720P20,-20,0,0,,NaN,NaN,,"",g2m8mpdol_U,,,NaN,"",g2m8mpdol_U,"",,,MNXM9440,,NaN,,,,"",
g3m8masn,"(Alpha-D-Glucosyl)3-(Alpha-D-Mannosyl)8-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine (Protein)",C88H147N2O70X,0,0,0,,NaN,NaN,,"",g3m8masn,,,NaN,"",g3m8masn,"",,,MNXM6013,,NaN,,,,"",
g3m8mpdol_L,"(Alpha-D-Glucosyl)3-(Alpha-D-Mannosyl)8-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Liver Homolog",C1960H3228N20O770P20,-20,0,0,G00008,NaN,NaN,,"",g3m8mpdol_L,,,NaN,"",g3m8mpdol__L,"",,,MNXM147644,,NaN,,,,"",
g3m8mpdol_U,"(Alpha-D-Glucosyl)3-(Alpha-D-Mannosyl)8-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Uterine Homolog",C1905H3140N20O770P20,-20,0,0,,NaN,NaN,,"",g3m8mpdol_U,,,NaN,"",g3m8mpdol_U,"",,,MNXM9442,,NaN,,,,"",
g3p,"Glyceraldehyde 3-Phosphate",C3H5O6P,-2,0,0,C00118,729,29052,,"",g3p,g3p,,NaN,"",g3p,"",,cpd00102,MNXM74,,3294,,,LXJXRIRHZLFYRP-UHFFFAOYSA-L,"InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/p-2",[H]OC([H])(C([H])=O)C([H])([H])OP([O-])([O-])=O
g3pc,"Glycerophosphocholine",C8H20NO6P,0,257.2213,257.1028239,C00670,71920,16870,HMDB0000086,"",g3pc,g3pc,FDB021802,64931,"GLYCERYLPHOSPHORYLCHOLINE",g3pc,"",,cpd00507,MNXM367,,370,28319-77-9,,SUHOQUVVVLNYQR-MRVPVSSYSA-N,"InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/t8-/m1/s1",[H]OC([H])([H])[C@@]([H])(O[H])C([H])([H])OP([O-])(=O)OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
g3pe,"Sn-Glycero-3-phosphoethanolamine",C5H14NO6P,0,0,0,,NaN,NaN,,"",,,,NaN,"",g3pe,"",,cpd00908,MNXM368,,NaN,,,,"",
g3pg,"Glycerophosphoglycerol",C6H14O8P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",g3pg,"",,cpd02090,MNXM598,,NaN,,,,"",
g6p,"Glucose 6-phosphate",C6H11O9P,-2,260.1358,260.0297185,C00092,5958,4170,HMDB0001401,"",g6p,g6p,FDB021818,5743,"GLC-6-P",g6p,"Glucose 6-phosphate",,cpd00079,MNXM160,C00007306,145,56-73-5,DTXSID10889328,NBSCHQHZLSJFNQ-GASJEMHNSA-L,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5-,6?/m1/s1",[H]OC1([H])O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
g6p_B,"Beta-D-Glucose 6-phosphate",C6H11O9P,-2,260.1358,260.0297185,C01172,439427,17719,HMDB0003498,"",,,FDB023183,388538,"",g6p_B,"",,cpd00863,MNXM508,,NaN,,,NBSCHQHZLSJFNQ-VFUOTHLCSA-N,"",
ga1_hs,"Ganglioside GA1 (d18:1/12:0)",C44H79N2O22FULLRCO,0,1171.4087,1170.687338,C06136,22833624,NaN,HMDB0004900,"",ga1_hs,ga1_hs,FDB023491,17216291,"",ga1_hs,"",,,MNXM92326,,7156,71012-19-6,,AJJQXLLQPWSINS-ULFCUAASSA-N,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])[C@]2([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
ga2_hs,"Ganglioside GA2 (d18:1/12:0)",C38H69N2O17FULLRCO,0,1009.2681,1008.634514,C06135,22833614,NaN,HMDB0004888,"",ga2_hs,ga2_hs,FDB023480,17216280,"",ga2_hs,"",,,MNXM91597,,7145,88506-68-7,,XXEIIEJSVKUHCZ-SJVSDXKXSA-N,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
gacpail_hs,"Glucosaminyl-Acylphosphatidylinositol",C31H58NO14PFULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",gacpail_hs,gacpail_hs,,NaN,"",gacpail_hs,"",,,MNXM7380,,NaN,,,,"",
gACPm,"Glutaryl-ACP Methyl Ester",C17H29N2O10PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
gagicolipa,"Galactosyl-glucosyl-inner core oligosaccharide lipid A",C157H271N2O84P4,-11,0,0,,NaN,NaN,,"",,,,NaN,"",gagicolipa,"",,cpd15469,MNXM54163,,NaN,,,,"",
gal,"D-Galactose",C6H12O6,0,180.1559,180.0633881,C00984,439357,28061,HMDB0000143,"",gal,gal,FDB012703,388480,"GALACTOSE",gal,"Hexose",,cpd00108,MNXM390,C00019681,134,59-23-4,DTXSID0023088,WQZGKKKJIJFFOK-PHYPRBDBSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
gal14acglcgalgluside_hs,"Lactoneotetraosylceramide",C44H79N2O22FULLRCO,0,0,0,,NaN,NaN,,"",gal14acglcgalgluside_hs,gal14acglcgalgluside_hs,,NaN,"",gal14acglcgalgluside_hs,"",,,MNXM6313,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
gal1a3acgal,"Alpha-1,3-Galactose-N-acetylgalactosamine",C14H25NO11,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
gal1b3acgal,"Beta-1,3-Galactose-N-acetylgalactosamine",C14H25NO11,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
gal1p,"D-galactopyranose 1-phosphate",C6H11O9P,-2,260.135,260.029719,C03384,439995,37480,HMDB0062705,"",gal1p,gal1p,,NaN,"",gal1p,"",,cpd00348,MNXM336,C00007391,NaN,2255-14-3,DTXSID80177082,HXXFSFRBOHSIMQ-FPRJBGLDSA-L,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3+,4+,5-,6-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP([O-])([O-])=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
galacgalfuc12gal14acglcgalgluside_hs,"(Gal)3 (GalNac)1 (Glc)1 (GlcNac)1 (LFuc)1 (Cer)1",X,0,0,0,,NaN,NaN,,"",galacgalfuc12gal14acglcgalgluside_hs,galacgalfuc12gal14acglcgalgluside_hs,,NaN,"",galacgalfuc12gal14acglcgalgluside_hs,"",,,MNXM9471,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@@]([H])(O[C@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]6([H])C([H])([H])O[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
galacgalfucgalacglcgal14acglcgalgluside_hs,"(Gal)4 (GalNac)1 (Glc)1 (GlcNac)2 (LFuc)1 (Cer)1",X,0,0,0,,NaN,NaN,,"",galacgalfucgalacglcgal14acglcgalgluside_hs,galacgalfucgalacglcgal14acglcgalgluside_hs,,NaN,"",galacgalfucgalacglcgal14acglcgalgluside_hs,"",,,MNXM9476,,NaN,,,,"",
galacglc13galacglcgal14acglcgalgluside_hs,"Nlc8Cer",C72H125N4O42FULLRCO,0,0,0,G00069,NaN,NaN,,"",galacglc13galacglcgal14acglcgalgluside_hs,galacglc13galacglcgal14acglcgalgluside_hs,,NaN,"",galacglc13galacglcgal14acglcgalgluside_hs,"",,,MNXM12473,,NaN,,,,"InChI=1S/C74H128N4O43/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(91)33(75-29(2)87)28-106-70-56(102)54(100)63(42(27-86)114-70)118-74-59(105)66(49(95)38(23-82)110-74)121-69-45(78-32(5)90)52(98)62(41(26-85)113-69)117-73-58(104)65(48(94)37(22-81)109-73)120-68-44(77-31(4)89)51(97)61(40(25-84)112-68)116-72-57(103)64(47(93)36(21-80)108-72)119-67-43(76-30(3)88)50(96)60(39(24-83)111-67)115-71-55(101)53(99)46(92)35(20-79)107-71/h18-19,33-74,79-86,91-105H,6-17,20-28H2,1-5H3,(H,75,87)(H,76,88)(H,77,89)(H,78,90)/b19-18+/t33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49-,50+,51+,52+,53-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]5([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]7([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]8([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]8([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]7([H])O[H])O[C@]6([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]5([H])O[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
galacglcgal14acglcgalgluside_hs,"Nlc6Cer",C58H102N3O32FULLRCO,0,0,0,G00067,NaN,NaN,,"",galacglcgal14acglcgalgluside_hs,galacglcgal14acglcgalgluside_hs,,NaN,"",galacglcgal14acglcgalgluside_hs,"",,,MNXM5179,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(OC([H])([H])[C@@]3([H])O[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]5([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]6([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]5([H])O[H])O[C@]4([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]5([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H])[C@]([H])(O[H])[C@@]4([H])N([H])C(=O)C([H])([H])[H])[C@@]3([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
galacglcgalacglcgal14acglcgalgluside_hs,"I-Antigen",C72H125N4O42FULLRCO,0,0,0,,NaN,NaN,,"",galacglcgalacglcgal14acglcgalgluside_hs,galacglcgalacglcgal14acglcgalgluside_hs,,NaN,"",galacglcgalacglcgal14acglcgalgluside_hs,"",,,MNXM11849,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(OC([H])([H])[C@@]3([H])O[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]5([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]6([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]5([H])O[H])O[C@]4([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]5([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H])[C@]([H])(O[H])[C@@]4([H])N([H])C(=O)C([H])([H])[H])[C@@]3([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
galacglcgalgbside_hs,"Gal-GlcNac-Gal Globoside",C64H112N3O37FULLRCO,0,0,0,,NaN,NaN,,"",galacglcgalgbside_hs,galacglcgalgbside_hs,,NaN,"",galacglcgalgbside_hs,"",,,MNXM8629,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(OC([H])([H])[C@@]3([H])O[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]5([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]6([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]5([H])O[H])O[C@]4([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]5([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H])[C@]([H])(O[H])[C@@]4([H])N([H])C(=O)C([H])([H])[H])[C@@]3([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
galacglcgalgluside_hs,"D-Glucosylceramide",C44H79N2O22FULLRCO,0,0,0,C04910,NaN,17292,,"",galacglcgalgluside_hs,galacglcgalgluside_hs,,NaN,"",galacglcgalgluside_hs,"",,,MNXM91226,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])[C@]2([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
galam,"D-Galactosamine",C6H13NO5,0,179.1719971,179.0793725,C06377,NaN,18232,,"",,,,NaN,"",galam,"",,,MNXM147460,,NaN,7535-00-4,DTXSID7043871,MSWZFWKMSRAUBD-GASJEMHNSA-N,"InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(O[H])[C@]([H])(N([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
galam6p,"D-galactosamine-6-phosphate",C6H13NO8P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",galam6p,"",,cpd03813,MNXM5116,,NaN,,,,"",
galct_D,"D-Galactarate",C6H8O8,-2,0,0,,NaN,NaN,,"",,,,NaN,"",galct__D,"",,,MNXM1080,,NaN,,,,"",
galctn_D,"Galactonic acid",C6H11O7,-1,196.1553,196.0583027,C00880,128869,16534,HMDB0000565,"",,,FDB022122,114198,"",galctn__D,"",,cpd00653,MNXM1734,,3336,13382-27-9,,RGHNJXZEOKUKBD-MGCNEYSASA-N,"",
galfuc12gal14acglcgalgluside_hs,"(Gal)3 (Glc)1 (GlcNac)1 (LFuc)1 (Cer)1",C56H99N2O31FULLRCO,0,0,0,,NaN,NaN,,"",galfuc12gal14acglcgalgluside_hs,galfuc12gal14acglcgalgluside_hs,,NaN,"",galfuc12gal14acglcgalgluside_hs,"",,,MNXM7938,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
galfucgalacglcgal14acglcgalgluside_hs,"(Gal)4 (Glc)1 (GlcNac)2 (LFuc)1 (Cer)1",C70H122N3O41FULLRCO,0,0,0,,NaN,NaN,,"",galfucgalacglcgal14acglcgalgluside_hs,galfucgalacglcgal14acglcgalgluside_hs,,NaN,"",galfucgalacglcgal14acglcgalgluside_hs,"",,,MNXM7941,,NaN,,,,"",
galfucgalacglcgalgluside_hs,"Gal-Alpha1->3(Fuc-Alpha1->2)Gal-Beta1->3GlcNac-Beta1->3LacCer",C56H99N2O31FULLRCO,0,0,0,C06130,NaN,NaN,,"",galfucgalacglcgalgluside_hs,galfucgalacglcgalgluside_hs,,NaN,"",galfucgalacglcgalgluside_hs,"",,,MNXM163600,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
galgalfucfucgalacglcgalacglcgal14acglcgalgluside_hs,"(Gal)6 (Glc)1 (GlcNac)3 (LFuc)2 (Cer)1",C96H165N4O60FULLRCO,0,0,0,,NaN,NaN,,"",galgalfucfucgalacglcgalacglcgal14acglcgalgluside_hs,galgalfucfucgalacglcgalacglcgal14acglcgalgluside_hs,,NaN,"",galgalfucfucgalacglcgalacglcgal14acglcgalgluside_hs,"",,,MNXM7943,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@]3([H])[C@]([H])(O[C@@]([H])(OC([H])([H])[C@@]4([H])O[C@@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]6([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]7([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]7([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]6([H])O[H])O[C@]5([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[C@]5([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]6([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[C@@]7([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]7([H])O[H])[C@@]6([H])O[H])[C@]([H])(O[C@]6([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]6([H])O[H])[C@@]5([H])N([H])C(=O)C([H])([H])[H])[C@@]4([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]3([H])O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]3([H])O[H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
galgalgalthcrm_hs,"Gal-Gal-Gal-Gal-Gal-Glc-Cer",C54H96NO32FULLRCO,0,0,0,,NaN,NaN,,"",galgalgalthcrm_hs,galgalgalthcrm_hs,,NaN,"",galgalgalthcrm_hs,"",,,MNXM8628,,NaN,,,,"",
galgalthcrm_hs,"Gal-Gal-Gal-Gal-Glc-Cer",C48H86NO27FULLRCO,0,0,0,,NaN,NaN,,"",galgalthcrm_hs,galgalthcrm_hs,,NaN,"",galgalthcrm_hs,"",,,MNXM11615,,NaN,,,,"",
galgbside_hs,"Galactosylgloboside",C50H89N2O27FULLRCO,0,0,0,G00097,NaN,NaN,,"",galgbside_hs,galgbside_hs,,NaN,"",galgbside_hs,"",,,MNXM7370,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@@]([H])(O[C@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])[C@]2([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
galgluside_hs,"Galactosyl Glucosyl Ceramide",C30H56NO12FULLRCO,0,0,0,,NaN,NaN,,"",galgluside_hs,galgluside_hs,,NaN,"",galgluside_hs,"",,,MNXM90540,,NaN,,,POQRWMRXUOPCLD-HIIAJUEOSA-N,"InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45-,46-,47+,48+/m0/s1",[H]OC(=N[C@@]([H])(C([H])([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
galmannan,"Carob galactomannan, Gal:Man ratio 22/78. 220 gal, 780 man assumed",C6000H10002O5001,0,0,0,G10130,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
galside_hs,"Galactosylceramide (d18:1/16:0)",C24H46NO7FULLRCO,0,700.0413,699.5649184,C02686,53480652,NaN,HMDB0010708,"",galside_hs,galside_hs,FDB027858,24765744,"",galside_hs,"",,,MNXM5165,,NaN,,,VJLLLMIZEJJZTE-DQVPDRNHSA-N,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
galt,"Galactitol",C6H14O6,0,182.1718,182.0790382,C01697,11850,16813,HMDB0000107,"",galt,galt,FDB006453,11357,"15-DIDEOXY-15-IMINO-D-GALACTITOL",galt,"Galactitol",,cpd01171,MNXM1233,C00001160,5148,608-66-2,DTXSID1046051,FBPFZTCFMRRESA-GUCUJZIJSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-",[H]OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H]
galt1p,"Galactitol 1-phosphate",C6H13O9P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",galt1p,"",,cpd03752,MNXM1667,,NaN,,,,"",
galthcrm_hs,"Gal-Gal-Gal-Glc-Cer",C42H76NO22FULLRCO,0,0,0,,NaN,NaN,,"",galthcrm_hs,galthcrm_hs,,NaN,"",galthcrm_hs,"",,,MNXM11616,,NaN,,,,"",
galur,"D-Galacturonate",C6H9O7,-1,0,0,C08348,84740,47962,HMDB0002545,"",,,FDB001161,76444,"D-GALACTURONATE",galur,"Galacturonic acid",,cpd00280,MNXM48464,C00001120,6713,14982-50-4,DTXSID00873872,,"",
gam,"Glucosamine",C6H14NO5,1,179.1711,179.0793725,C00329,439213,5417,HMDB0001514,"",gam,gam,FDB022668,388352,"GLUCOSAMINE",gam,"Glucosamine",DB01296,cpd00276,MNXM533,,266,3416-24-8,DTXSID4023098,MSWZFWKMSRAUBD-IVMDWMLBSA-O,"InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/p+1/t2-,3-,4-,5-,6?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(O[H])[C@]([H])([N+]([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
gam1p,"D-Glucosamine 1-phosphate",C6H13NO8P,-1,0,0,,NaN,NaN,HMDB0001109,"",,,,NaN,"",gam1p,"",,cpd03671,MNXM969,,NaN,,,,"",
gam26s,"Glucosamine 2,6-sulfate",C6H11NO11S2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
gam6p,"Glucosamine 6-phosphate",C6H13NO8P,-1,259.151,259.0457029,C00352,439217,15873,HMDB0001254,"",gam6p,gam6p,FDB022515,388356,"D-GLUCOSAMINE-6-P",gam6p,"",,cpd00288,MNXM370,C00019580,6111,3616-42-0,,XHMJOUIAFHJHBW-IVMDWMLBSA-M,"InChI=1S/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/p-1/t2-,3-,4-,5-,6?/m1/s1",[H]OC1([H])O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])[N+]([H])([H])[H]
gar,"Glycineamideribotide",C7H14N2O8P,-1,286.1764,286.056602,C03838,160913,18349,HMDB0002022,"",gar,gar,FDB022801,141370,"5-PHOSPHO-RIBOSYL-GLYCINEAMIDE",gar,"",,cpd02394,MNXM463,C00007395,NaN,10074-18-7,DTXSID70143478,OBQMLSFOUZUIOB-ORJLUFJISA-M,"InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/p-1/t3-,5-,6-,7?/m0/s1",[H]O[C@@]1([H])C([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N([H])C(=O)C([H])([H])[N+]([H])([H])[H]
gbbtn,"Gamma-butyrobetaine",C7H15NO2,0,0,0,,NaN,NaN,,"",,,,NaN,"",gbbtn,"",,cpd00870,MNXM626,,NaN,,,,"",
gbside_hs,"Tetrahexosylceramide (d18:1/12:0)",C44H79N2O22FULLRCO,0,1171.4087,1170.687338,C03272,20057343,NaN,HMDB0004958,"",gbside_hs,gbside_hs,FDB023545,16744943,"N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT",gbside_hs,"CQH",,,MNXM4598,,7211,11034-93-8,,MJVVJMMBLSKMDU-QVQHRZDJSA-N,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@@]([H])(O[C@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
gca3s,"Glycocholic acid 3-sulfate",C26H42NO9S,-1,0,0,,NaN,NaN,,"",,gca3s,,NaN,"",,"",,,,,NaN,,,,"",
gcald,"Glycolaldehyde",C2H4O2,0,60.052,60.02112937,C00266,756,17071,HMDB0003344,"",gcald,gcald,FDB003297,736,"DIHYDROXYPHENYLGLYCOLALDEHYDE",gcald,"Glycolaldehyde",,cpd00229,MNXM349,C00007457,3205,141-46-8,DTXSID4074693,WGCNASOHLSPBMP-UHFFFAOYSA-N,"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2",[H]OC([H])([H])C([H])=O
gcdca3s,"Glycochenodeoxycholic acid 3-sulfate",C26H42NO8S,-1,0,0,,NaN,NaN,,"",,gcdca3s,,NaN,"",,"",,,,,NaN,,,,"",
gchola,"Glycocholic acid",C26H43NO6,0,465.6227,465.3090381,C01921,23617285,29746,HMDB0000138,"",gchola,gchola,FDB012346,24747221,"GLYCOCHOLIC_ACID",gchola,"Glycocholic acid",,cpd01318,MNXM162346,C00030410,5169,475-31-0,DTXSID2047436,RFDAIACWWDREDC-FRVQLJSFSA-N,"InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1",[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H]
gd1a_hs,"N-Acetylneuraminosyl-D-Galactosyl-N-Acetyl-D-Galactosaminyl-(N-Acetylneuraminosyl)-D-Galactosyl-D-Glucosylceramide Dianion",C66H111N4O38FULLRCO,-2,0,0,C04927,NaN,18163,,"",gd1a_hs,gd1a_hs,,NaN,"",gd1a_hs,"",,,MNXM8637,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1([H])O[C@@](O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]4([H])[C@]([H])(O[C@@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]4([H])O[C@]4(OC([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C4([H])[H])C([O-])=O)C([H])([H])O[H])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gd1b_hs,"Gd1B",C66H111N4O38FULLRCO,-2,0,0,C06141,NaN,28175,,"",gd1b_hs,gd1b_hs,,NaN,"",gd1b_hs,"",,cpd03661,MNXM11645,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[C@@](O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[C@@](O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])[C@@]3([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gd1b2_hs,"Gd1Beta",C66H111N4O38FULLRCO,-2,0,0,,NaN,NaN,,"",gd1b2_hs,gd1b2_hs,,NaN,"",gd1b2_hs,"",,,MNXM8638,,NaN,,,,"",
gd1c_hs,"Gd1C",C66H111N4O38FULLRCO,-2,0,0,G00126,NaN,NaN,,"",gd1c_hs,gd1c_hs,,NaN,"",gd1c_hs,"",,,MNXM8639,,NaN,,,,"",
gd2_hs,"GalNac-Beta1->4(Neuac-Alpha2->8Neuac2->3)Gal-Beta1->4Glc-Beta1->1'Cer",C60H101N4O33FULLRCO,-2,0,0,C06134,NaN,28648,,"",gd2_hs,gd2_hs,,NaN,"",gd2_hs,"",,,MNXM11646,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1([H])O[C@@](O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])C2([H])O[C@@](O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gd3_hs,"Ganglioside GD3 (d18:1/12:0)",C52H88N3O28FULLRCO,-2,1388.5847,1387.745975,C06133,20057321,NaN,HMDB0004911,"",gd3_hs,gd3_hs,FDB023502,16744910,"",gd3_hs,"",,,MNXM6274,,7167,104443-61-0,,FLBTXIPIINJPIM-KNHVHYCVSA-N,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1([H])O[C@@](O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])C2([H])O[C@@](O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gda1_hs,"Gda1 Hs",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd02999,,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[C@@](O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]4([H])[C@]([H])(O[C@@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]4([H])O[C@]4(O[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C4([H])[H])C([O-])=O)C([H])([H])O[H])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gdca3s,"Glycodeoxycholic acid 3-sulfate",C26H42NO8S,-1,0,0,,NaN,NaN,,"",,gdca3s,,NaN,"",,"",,,,,NaN,,,,"",
gdp,"Guanosine diphosphate",C10H12N5O11P2,-3,443.2005,443.0243294,C00035,8977,17552,HMDB0001201,"GDP",gdp,gdp,FDB022487,8630,"GDP",gdp,"GDP",,cpd00031,MNXM30,C00050463,6077,146-91-8,DTXSID90163254,QGWNDRXFNXRZMB-UUOKFMHZSA-K,"InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/p-3/t3-,5-,6-,9-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC2=C1N=C(N([H])[H])N([H])C2=O
gdpddman,"GDP-4-Dehydro-6-deoxy-D-mannose",C16H21N5O15P2,-2,587.3258,587.0665881,C01222,439446,16955,HMDB0001346,"",gdpddman,gdpddman,FDB022568,388554,"GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE",gdpddman,"",,cpd00900,MNXM516,,6180,18186-48-6,,PNHLMHWWFOPQLK-BKUUWRAGSA-L,"InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/p-2/t4-,5-,8-,9+,10-,11+,14-,15-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)O[C@@]2([H])O[C@@]([H])(C(=O)[C@]([H])(O[H])[C@]2([H])O[H])C([H])([H])[H])[C@@]1([H])O[H])N1C([H])=NC2=C1N=C(N([H])[H])N([H])C2=O
gdpfuc,"GDP-L-fucose",C16H23N5O15P2,-2,589.3417,589.0822382,C00325,439211,17009,HMDB0001095,"",gdpfuc,gdpfuc,FDB021816,388350,"GUANOSINE_DIPHOSPHATE_FUCOSE",gdpfuc,"",,cpd00272,MNXM193,C00007245,6001,15839-70-0,,LQEBEXMHBLQMDB-QIXZNPMTSA-L,"InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/p-2/t4-,5+,7+,8+,9+,10+,11-,14+,15?/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=NC2=C1N=C(N([H])[H])N([H])C2=O
gdpmann,"Guanosine diphosphate mannose",C16H23N5O16P2,-2,605.3411,605.0771528,C00096,18396,15820,HMDB0001163,"",gdpmann,gdpmann,FDB012326,17372,"GDP-MANNOSE",gdpmann,"Guanosine diphosphate mannose",,cpd00083,MNXM82,C00007246,6045,3123-67-9,,MVMSCBBUIHUTGJ-GDJBGNAASA-L,"InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/p-2/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C3N=C(N([H])[H])N([H])C4=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
gdpmanur,"GDP-D-mannuronate",C16H20N5O17P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd00719,,,NaN,,,,"",
gdptp,"Guanosine 3-diphosphate 5-triphosphate",C10H11N5O20P5,-7,0,0,,NaN,NaN,,"",,,,NaN,"",gdptp,"",,cpd02740,MNXM1561,,NaN,,,,"",
gg4abut,"Gamma-glutamyl-gamma aminobutyric acid",C9H15O5N2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",gg4abut,"",,cpd11408,MNXM1406,,NaN,,,,"",
ggagicolipa,"Glucosyl-galactosyl-glucosyl-inner core oligosaccharide lipid A",C163H281N2O89P4,-11,0,0,,NaN,NaN,,"",,,,NaN,"",ggagicolipa,"",,cpd15475,MNXM55192,,NaN,,,,"",
ggbutal,"Gamma-glutamyl-gamma-butyraldehyde",C9H16O4N2,0,0,0,,NaN,NaN,,"",,,,NaN,"",ggbutal,"",,cpd11341,MNXM1378,,NaN,,,,"",
ggdp,"2-Trans,6-Trans,10-Trans-Geranylgeranyl Diphosphate",C20H33O7P2,-3,0,0,,735,NaN,,"",ggdp,,,NaN,"",ggdp,"",,cpd00289,MNXM139,,NaN,,,OINNEUNVOZHBOX-QIRCYJPOSA-K,"InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b18-11+,19-13+,20-15+",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
gggagicolipa,"Glucosyl-glucosyl-galactosyl-glucosyl-inner core oligosaccharide lipid A",C169H291N2O94P4,-11,0,0,,NaN,NaN,,"",,,,NaN,"",gggagicolipa,"",,cpd15477,MNXM55193,,NaN,,,,"",
ggn,"Primed Glycogenin (Glycogenin-8[1,4-Glc])",C48H81O41X,0,0,0,C01702,NaN,NaN,,"",ggn,ggn,,NaN,"",ggn,"",,,MNXM12747,,NaN,,,FWIVUUAQJLPCSQ-SLPGGIOYSA-N,"InChI=1S/C6H11O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2-10H,1H2/t3-,4+,5+,6+/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C]([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
gicolipa,"Glucosyl-inner core oligosaccharide lipid A",C151H261N2O79P4,-11,0,0,,NaN,NaN,,"",,,,NaN,"",gicolipa,"",,cpd15479,MNXM55194,,NaN,,,,"",
glac,"D-Glucurono-6,3-lactone",C6H8O6,0,176.1241,176.032088,C02670,2724333,18268,HMDB0006355,"",glac,glac,FDB023903,2006482,"CPD-526",glac,"D-glucuronic acid",,cpd01735,MNXM162962,,NaN,32449-92-6,DTXSID6041844,UYUXSRADSPPKRZ-SKNVOMKLSA-N,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1",[H]O[C@@]([H])(C([H])=O)[C@@]1([H])OC(=O)[C@@]([H])(O[H])[C@@]1([H])O[H]
glc_bD,"Beta D-glucose",C6H12O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",glc_bD,"",,cpd00190,MNXM41,,NaN,,,,"",
glc_D,"D-Glucose",C6H12O6,0,180.1559,180.0633881,C00031,5793,4167,HMDB0000122,"",glc_D,glc_D,FDB012530,5589,"GLC",glc__D,"Dextrose",,cpd00027,MNXM41,C00042470,133,50-99-7,DTXSID7022910,WQZGKKKJIJFFOK-GASJEMHNSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
glc1man,"Glucose-1,3-mannose oligosaccharide",C12H22O11,0,342.2965,342.1162115,C04147,440240,27554,HMDB0060068,"",glc1man,,,389224,"",glc1man,"",,,MNXM7382,,NaN,,,QIGJYVCQYDKYDW-WPMDEUETSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9+,10+,11-,12-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@]2([H])[C@]([H])(O[H])[C@]([H])(O[H])O[C@]([H])(C([H])([H])O[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
glc2man,"(2)[Glucose-1,3]-Mannose Oligosaccharide",C18H32O16,0,0,0,,NaN,NaN,,"",glc2man,,,NaN,"",glc2man,"",,,MNXM13501,,NaN,,,,"",
glc3man,"Glucose-1,2-(2)[Glucose-1,3]-Mannose Oligosaccharide",C24H42O21,0,0,0,,NaN,NaN,,"",glc3man,,,NaN,"",glc3man,"",,,MNXM18136,,NaN,,,,"",
glc3meacp,"Glucuronide-Conjugate of 3-Methoxy-Acetaminophen",C14H16NO9,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
glcmannan,"Konjac glucomannan, MW 77,500 (PMID:17962981), Man:Glc ~ 2:1. -> 286 man, 143 glc_D",C2574H4292O2146,0,0,0,G11598,4934,17020,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
glcn,"Gluconic acid",C6H11O7,-1,196.1553,196.0583027,C00257,10690,33198,HMDB0000625,"",glcn,glcn,FDB001980,10240,"GLUCONATE",glcn,"Gluconic acid",,cpd00222,MNXM341,C00007303,345,526-95-4,DTXSID8027169,RGHNJXZEOKUKBD-SQOUGZDYSA-M,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1/t2-,3-,4+,5-/m1/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C([O-])=O
glcr,"Glucaric acid",C6H8O8,-2,210.1388,210.0375673,C00818,33037,16002,HMDB0000663,"",glcr,,FDB022169,30577,"D-GLUCARATE",glcr,"Glucaric acid",,cpd00609,MNXM744,,5633,25525-21-7,,DSLZVSRJTYRBFB-LLEIAEIESA-L,"InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2-,3-,4+/m0/s1",[H]O[C@@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C([O-])=O
glctnb,"Galacto-N-biose",C14H25NO11,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
glctnbp,"Galacto-N-biose phosphate",C14H24NO14P,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
glcur,"D-Glucuronic acid",C6H9O7,-1,194.1394,194.0426527,C00191,444791,42717,HMDB0000127,"",glcur,glcur,FDB021897,392615,"GLUCURONATE",glcur,"GCU",DBMET00488,cpd00164,MNXM241,C00001123,161,,,AEMOLEFTQBMNLQ-AQKNRBDQSA-M,"InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/p-1/t1-,2-,3+,4-,6?/m0/s1",[H]OC1([H])O[C@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
glcur1p,"D-Glucuronic acid 1-phosphate",C6H8O10P,-3,274.1193,274.0089831,C05385,440650,35145,HMDB0003976,"",glcur1p,glcur1p,FDB023278,389532,"",glcur1p,"",,,MNXM1165,,NaN,13168-11-1,,AIQDYKMWENWVQJ-AQKNRBDQSA-K,"InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/p-3/t1-,2-,3+,4-,6?/m0/s1",[H]O[C@@]1([H])C([H])(OP([O-])([O-])=O)O[C@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@]1([H])O[H]
glgchlo,"Beta Glucan-Glycocholate Complex",C1200026H2200043NO1100006,0,0,0,,NaN,NaN,,"",glgchlo,glgchlo,,NaN,"",glgchlo,"",,,MNXM164589,,NaN,,,,"",
gln_L,"L-Glutamine",C5H10N2O3,0,146.1445,146.0691422,C00064,5961,18050,HMDB0000641,"",gln_L,gln_L,FDB012164,5746,"GLN",gln__L,"L-Glutamine",,cpd00053,MNXM37,C00001359,5614,56-85-9,DTXSID1023100,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",[H]N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
glnasngln,"Glutaminyl-Asparaginyl-Glutamine",C14H24N6O7,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,TWHDOEYLXXQYOZ-BIIVOSGPSA-N,"InChI=1S/C14H24N6O7/c15-6(1-3-9(16)21)12(24)20-8(5-11(18)23)13(25)19-7(14(26)27)2-4-10(17)22/h6-8H,1-5,15H2,(H2,16,21)(H2,17,22)(H2,18,23)(H,19,25)(H,20,24)(H,26,27)/t6-,7-,8+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]
glnhishis,"Glutaminyl-Histidyl-Histidine",C17H24N8O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GFLNKSQHOBOMNM-XQQFMLRXSA-N,"InChI=1S/C17H24N8O5/c18-11(1-2-14(19)26)15(27)24-12(3-9-5-20-7-22-9)16(28)25-13(17(29)30)4-10-6-21-8-23-10/h5-8,11-13H,1-4,18H2,(H2,19,26)(H,20,22)(H,21,23)(H,24,27)(H,25,28)(H,29,30)/t11-,12+,13-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C1=C([H])N([H])C([H])=N1
glnhislys,"Glutaminyl-Histidyl-Lysine",C17H30N7O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NNXIQPMZGZUFJJ-AVGNSLFASA-M,"InChI=1S/C17H29N7O5/c18-6-2-1-3-12(17(28)29)23-16(27)13(7-10-8-21-9-22-10)24-15(26)11(19)4-5-14(20)25/h8-9,11-13H,1-7,18-19H2,(H2,20,25)(H,21,22)(H,23,27)(H,24,26)(H,28,29)/p-1/t11-,12-,13-/m0/s1",[H]N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H]
glnlyslys,"Glutaminyl-Lysyl-Lysine",C17H36N6O5,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JRHPEMVLTRADLJ-AVGNSLFASA-M,"InChI=1S/C17H34N6O5/c18-9-3-1-5-12(22-15(25)11(20)7-8-14(21)24)16(26)23-13(17(27)28)6-2-4-10-19/h11-13H,1-10,18-20H2,(H2,21,24)(H,22,25)(H,23,26)(H,27,28)/p-1/t11-,12-,13-/m0/s1",[H]N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]
glnlystrp,"Glutaminyl-Lysyl-Tryptophan",C22H33N6O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,AMHIFFIUJOJEKJ-SZMVWBNQSA-M,"InChI=1S/C22H32N6O5/c23-10-4-3-7-17(27-20(30)15(24)8-9-19(25)29)21(31)28-18(22(32)33)11-13-12-26-16-6-2-1-5-14(13)16/h1-2,5-6,12,15,17-18,26H,3-4,7-11,23-24H2,(H2,25,29)(H,27,30)(H,28,31)(H,32,33)/p-1/t15-,17-,18-/m0/s1",[H]N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]
glnproglu,"Glutaminyl-Prolyl-Glutamate",C15H23N4O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HMIXCETWRYDVMO-GUBZILKMSA-M,"InChI=1S/C15H24N4O7/c16-8(3-5-11(17)20)14(24)19-7-1-2-10(19)13(23)18-9(15(25)26)4-6-12(21)22/h8-10H,1-7,16H2,(H2,17,20)(H,18,23)(H,21,22)(H,25,26)/p-1/t8-,9-,10-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([O-])=O
glntrpglu,"Glutaminyl-Tryptophanyl-Glutamate",C21H26N5O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DITJVHONFRJKJW-CWRNSKLLSA-M,"InChI=1S/C21H27N5O7/c22-13(5-7-17(23)27)19(30)26-16(9-11-10-24-14-4-2-1-3-12(11)14)20(31)25-15(21(32)33)6-8-18(28)29/h1-4,10,13,15-16,24H,5-9,22H2,(H2,23,27)(H,25,31)(H,26,30)(H,28,29)(H,32,33)/p-1/t13-,15-,16+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([O-])=O
glntyrleu,"Glutaminyl-Tyrosyl-Leucine",C20H30N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JKDBRTNMYXYLHO-XHSDSOJGSA-N,"InChI=1S/C20H30N4O6/c1-11(2)9-16(20(29)30)24-19(28)15(10-12-3-5-13(25)6-4-12)23-18(27)14(21)7-8-17(22)26/h3-6,11,14-16,25H,7-10,21H2,1-2H3,(H2,22,26)(H,23,27)(H,24,28)(H,29,30)/t14-,15+,16-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
gltcho,"Beta Glucan-Taurocholic Acid Complex",C1200026H2200045NO1100007S,0,0,0,,NaN,NaN,,"",gltcho,gltcho,,NaN,"",gltcho,"",,,MNXM164590,,NaN,,,,"",
gltdechol,"Beta Glucan-Taurodeoxycholic Acid Complex",C1200026H2200044NO1100006S,-1,0,0,,NaN,NaN,,"",,gltdechol,,NaN,"",gltdechol,"",,,MNXM164591,,NaN,,,,"",
glu_D,"D-Glutamate",C5H8NO4,-1,0,0,,NaN,NaN,HMDB0003339,"",,,,NaN,"",glu__D,"",,cpd00186,MNXM331,,NaN,,,,"",
glu_L,"L-Glutamic acid",C5H8NO4,-1,147.1293,147.0531578,C00025,33032,16015,HMDB0000148,"L-Glutamate;L-glutamate;L-glutamic acid",glu_L,glu_L,FDB012535,30572,"GLT",glu__L,"E",,cpd00023,MNXM89557,C00001358,5174,56-86-0,DTXSID5020659,WHUUTDBJXJRKMK-VKHMYHEASA-M,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1",[H][N+]([H])([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O
glu1sa,"L-Glutamate 1-semialdehyde",C5H9NO3,0,0,0,,NaN,NaN,,"",,,,NaN,"",glu1sa,"",,cpd02345,MNXM1453,,NaN,,,,"",
glu5p,"L-Glutamic acid 5-phosphate",C5H8NO7P,-2,227.1092,227.0194882,C03287,193475,17798,HMDB0001228,"",glu5p,glu5p,FDB022500,167893,"L-GLUTAMATE-5-P",glu5p,"",,cpd02097,MNXM1280,,6093,13254-53-0,DTXSID70157616,PJRXVIJAERNUIP-VKHMYHEASA-L,"InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/p-2/t3-/m0/s1",[H][N+]([H])([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C(=O)OP([O-])([O-])=O
glu5sa,"L-Glutamic gamma-semialdehyde",C5H9NO3,0,131.1299,131.0582432,C01165,193305,17232,HMDB0002104,"",glu5sa,glu5sa,FDB022847,167744,"L-GLUTAMATE_GAMMA-SEMIALDEHYDE",glu5sa,"",,cpd00858,MNXM245,,6488,496-92-4,,KABXUUFDPUOJMW-BYPYZUCNSA-N,"InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1",[H]C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
gluala,"gamma-Glutamylalanine",C8H13N2O5,-1,218.2072,218.0902716,C03740,440103,50619,HMDB0006248,"",gluala,gluala,FDB023860,389104,"",gluala,"",,,MNXM59390,,NaN,5875-41-2,,WQXXXVRAFAKQJM-WHFBIAKZSA-M,"InChI=1S/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)/p-1/t4-,5-/m0/s1",[H]N(C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@]([H])(C([O-])=O)C([H])([H])[H]
gluargleu,"Glutaminyl-Arginyl-Leucine",C17H32N6O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,KKCUFHUTMKQQCF-TUAOUCFPSA-N,"InChI=1S/C17H32N6O6/c1-9(2)8-12(16(28)29)23-15(27)11(4-3-7-21-17(19)20)22-14(26)10(18)5-6-13(24)25/h9-12H,3-8,18H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H4,19,20,21)/t10-,11+,12-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
gluasnleu,"Glutaminyl-Asparaginyl-Leucine",C15H25N4O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ZOXBSICWUDAOHX-AEJSXWLSSA-M,"InChI=1S/C15H26N4O7/c1-7(2)5-10(15(25)26)19-14(24)9(6-11(17)20)18-13(23)8(16)3-4-12(21)22/h7-10H,3-6,16H2,1-2H3,(H2,17,20)(H,18,23)(H,19,24)(H,21,22)(H,25,26)/p-1/t8-,9+,10-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
glucys,"gamma-Glutamylcysteine",C8H13N2O5S,-1,250.272,250.0623423,C00669,123938,17515,HMDB0001049,"yGluCys",glucys,glucys,FDB003603,110467,"L-GAMMA-GLUTAMYLCYSTEINE",glucys,"Gamma-Glutamylcysteine",DB03408,cpd00506,MNXM412,C00007507,5966,636-58-8,DTXSID90212978,RITKHVBHSGLULN-WHFBIAKZSA-M,"InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/p-1/t4-,5-/m0/s1",[H]SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C([O-])=O
gluglu,"Glutamyl-Glutamate",C10H14N2O7,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,KOSRFJWDECSPRO-NTSWFWBYSA-L,"InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-2/t5-,6+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O
gluilelys,"Glutamyl-Isoleucyl-Lysine",C17H32N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XTZDZAXYPDISRR-PNBMMQAZSA-N,"InChI=1S/C17H32N4O6/c1-3-10(2)14(21-15(24)11(19)7-8-13(22)23)16(25)20-12(17(26)27)6-4-5-9-18/h10-12,14H,3-9,18-19H2,1-2H3,(H,20,25)(H,21,24)(H,22,23)(H,26,27)/t10?,11-,12-,14+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
gluleu,"Glutamyl-Leucine",C11H19N2O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YBAFDPFAUTYYRW-JGVFFNPUSA-M,"InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-10(16)7(12)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/p-1/t7-,8+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
glumet,"Glutamyl-Methionine",C10H17N2O5S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JUXSWMRDPHRYQI-AADKRJSRSA-M,"InChI=1S/C10H18N2O5S/c1-2-5-18-9(10(16)17)12-8(15)6(11)3-4-7(13)14/h6,9H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/p-1/t6-,9?/m0/s1",[H]OC(=O)C([H])(SC([H])([H])C([H])([H])C([H])([H])[H])N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([O-])=O
glumethis,"Glutamyl-Methioninyl-Histidine",C16H24N5O6S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BHXSLRDWXIFKTP-PRWSFJOGSA-M,"InChI=1S/C16H25N5O6S/c1-28-5-4-11(20-14(24)10(17)2-3-13(22)23)15(25)21-12(16(26)27)6-9-7-18-8-19-9/h7-8,10-12H,2-6,17H2,1H3,(H,18,19)(H,20,24)(H,21,25)(H,22,23)(H,26,27)/p-1/t10-,11?,12-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)C([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1
gluside_hs,"D-Glucosyl-N-Acylsphingosine",C24H46NO7FULLRCO,0,0,0,C01190,22833534,18368,HMDB0000596,"",gluside_hs,gluside_hs,FDB022135,17215974,"Glucosyl-acyl-sphingosines",gluside_hs,"",,,MNXM5169,,5574,52050-17-6,,HHJTWTPUPVQKNA-KEVGHMQTSA-N,"InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18?,19?,20-,21-,22+,23-,24?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
glutaccoa,"Glutaconoyl-CoA",C26H36N7O19P3S,-4,0,0,C02411,NaN,NaN,,"",,,,NaN,"",,"",,cpd01599,,,63266,,,,"",
glutacoa,"Glutaconyl Coenzyme A",C26H35N7O19P3S,-5,0,0,,NaN,NaN,,"",,glutacoa,,NaN,"",,"",,,,,NaN,,,URTLOTISFJPPOU-UHFFFAOYSA-I,"InChI=1S/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h3,5,12-14,19-21,25,38-39H,4,6-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])=C([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
glutar,"Glutaric acid",C5H6O4,-2,132.1146,132.0422587,C00489,743,17859,HMDB0000661,"",,,FDB001477,723,"",glutar,"Glutaric acid",DB03553,cpd00379,MNXM1021,C00001184,3254,110-94-1,DTXSID2021654,JFCQEDHGNNZCLN-UHFFFAOYSA-L,"InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)/p-2",[H]C([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O
glutcoa,"Glutaryl-CoA",C26H37N7O19P3S,-5,881.633,881.1469024,C00527,439252,15524,HMDB0001339,"",glutcoa,glutcoa,FDB022563,388388,"GLUTARYL-COA",glutcoa,"Glutaryl-CoA",,cpd00413,MNXM382,,6173,103192-48-9,DTXSID10849588,SYKWLIJQEHRDNH-CKRMAKSASA-I,"InChI=1S/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h12-14,19-21,25,38-39H,3-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/t14-,19-,20-,21+,25-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
glutcon,"Glutaconate",C5H4O4,-2,0,0,,NaN,NaN,,"",,glutcon,,NaN,"",,"",,,,,NaN,,,XVOUMQNXTGKGMA-OWOJBTEDSA-L,"InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/p-2/b2-1+",[H]\C(=C(\[H])C([H])([H])C([O-])=O)C([O-])=O
gluthr,"Glutamyl-Threonine",C9H15N2O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JSIQVRIXMINMTA-KZLJYQGOSA-M,"InChI=1S/C9H16N2O6/c1-4(12)7(9(16)17)11-8(15)5(10)2-3-6(13)14/h4-5,7,12H,2-3,10H2,1H3,(H,11,15)(H,13,14)(H,16,17)/p-1/t4-,5-,7+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(O[H])C([H])([H])[H]
gluthrlys,"Glutamyl-Threonyl-Lysine",C15H28N4O7,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DTLLNDVORUEOTM-QFOLPQNPSA-N,"InChI=1S/C15H28N4O7/c1-8(20)12(19-13(23)9(17)5-6-11(21)22)14(24)18-10(15(25)26)4-2-3-7-16/h8-10,12,20H,2-7,16-17H2,1H3,(H,18,24)(H,19,23)(H,21,22)(H,25,26)/t8-,9-,10-,12+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
glutrna,"L-Glutamyl-tRNA(Glu)",C5H7NO3R,0,0,0,,NaN,NaN,,"",,,,NaN,"",glutrna,"",,cpd12227,MNXM89752,,NaN,,,,"",
glutrpala,"Glutamyl-Tryptophanyl-Alanine",C19H23N4O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ZQNCUVODKOBSSO-XEGUGMAKSA-N,"InChI=1S/C19H24N4O6/c1-10(19(28)29)22-18(27)15(23-17(26)13(20)6-7-16(24)25)8-11-9-21-14-5-3-2-4-12(11)14/h2-5,9-10,13,15,21H,6-8,20H2,1H3,(H,22,27)(H,23,26)(H,24,25)(H,28,29)/t10-,13-,15-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]
glx,"Glyoxylic acid",C2H1O3,-1,74.0355,74.00039393,C00048,760,16891,HMDB0000119,"",glx,glx,FDB001478,740,"GLYOX",glx,"Glyoxylic acid",DB04343,cpd00040,MNXM69,C00001186,3213,298-12-4,DTXSID5021594,HHLFWLYXYJOTON-UHFFFAOYSA-M,"InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)/p-1",[H]C(=O)C([O-])=O
gly,"Glycine",C2H5NO2,0,75.0666,75.03202841,C00037,750,15428,HMDB0000123,"glycine",gly,gly,FDB000484,730,"GLY",gly,"Glycine",DB00145,cpd00033,MNXM29,C00001361,20,56-40-6,DTXSID9020667,DHMQDGOQFOQNFH-UHFFFAOYSA-N,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",[H][N+]([H])([H])C([H])([H])C([O-])=O
glyald,"Glyceraldehyde",C3H6O3,0,90.0779,90.03169406,C02154,751,5445,HMDB0001051,"",glyald,glyald,FDB022392,731,"GLYCERALD",glyald,"Glyceraldehyde",,cpd00448,MNXM435,C00007413,4176,56-82-6,DTXSID70196464,MNQZXJOMYWMBOU-VKHMYHEASA-N,"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])C([H])=O
glyasn,"Glycyl-L-asparagine",C6H11N3O4,0,0,0,,NaN,NaN,HMDB0028836,"",,,,NaN,"",,"",,cpd11581,,,NaN,,,,"",
glyasp,"Glycyl-L-aspartate",C6H9N2O5,-1,0,0,,NaN,NaN,HMDB0028837,"",,,,NaN,"",,"",,cpd11589,,,NaN,,,,"",
glyb,"Betaine",C5H11NO2,0,117.1463,117.0789786,C00719,247,17750,HMDB0000043,"",glyb,glyb,FDB009020,242,"BETAINE",glyb,"Betaine",DB06756,cpd00540,MNXM289,C00007291,287,107-43-7,DTXSID8022666,KWIUHFFTVRNATP-UHFFFAOYSA-N,"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([O-])=O
glyc,"Glycerol",C3H8O3,0,92.0938,92.04734412,C00116,753,17522,HMDB0000131,"glycerol",glyc,glyc,FDB000756,733,"GLYCEROL",glyc,"Glycerol",DB04077,cpd00100,MNXM89612,C00001163,105,56-81-5,DTXSID9020663,PEDCQBHIVMGVHV-UHFFFAOYSA-N,"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2",[H]OC([H])([H])C([H])(O[H])C([H])([H])O[H]
glyc_R,"Glyceric acid",C3H5O4,-1,106.0773,106.0266087,C00258,439194,32398,HMDB0000139,"",glyc_R,glyc_R,FDB012242,388334,"GLYCERATE",glyc__R,"Glyceric acid",,cpd00223,MNXM189,C00001185,280,473-81-4,,RBNPOMFGQQGHHO-REOHCLBHSA-M,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/p-1/t2-/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])C([O-])=O
glyc_S,"L-Glyceric acid",C3H5O4,0,106.0773,106.0266087,,6326776,74324,HMDB0006372,"",glyc_S,glyc_S,FDB023907,4885497,"",glyc__S,"",,,MNXM147340,,NaN,28305-26-2,DTXSID00182557,RBNPOMFGQQGHHO-REOHCLBHSA-N,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1",[H]OC(=O)[C@@]([H])(O[H])C([H])([H])O[H]
glyc2p,"Glycerol 2-Phosphate",C3H7O6P,-2,0,0,,NaN,NaN,,"",,glyc2p,,NaN,"",glyc2p,"",,,MNXM2527,,NaN,,,DHCLVCXQIBBOPH-UHFFFAOYSA-L,"InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2",[H]OC([H])([H])C([H])(OP([O-])([O-])=O)C([H])([H])O[H]
glyc3p,"Glycerol 3-phosphate",C3H7O6P,-2,172.0737,172.0136745,C00093,439162,15978,HMDB0000126,"sn-glycerol 3-phosphate",glyc3p,glyc3p,FDB021800,388308,"GLYCEROL-3P",glyc3p,"Glycerol 3-phosphate",,cpd00080,MNXM66,,5161,57-03-4,DTXSID6023105,AWUCVROLDVIAJX-GSVOUGTGSA-L,"InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2/t3-/m1/s1",[H]OC([H])([H])[C@@]([H])(O[H])C([H])([H])OP([O-])([O-])=O
glyc45tca,"Glycerol teichoic acid (n=45), linked, unsubstituted",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15667,,,NaN,,,,"",
glyc45tcaala_D,"Glycerol teichoic acid (n=45), linked, D-ala substituted",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15668,,,NaN,,,,"",
glyc45tcaglc,"Glycerol teichoic acid (n=45), linked, glucose substituted",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15669,,,NaN,,,,"",
glyclt,"Glycolic acid",C2H3O3,-1,76.0514,76.01604399,C00160,757,17497,HMDB0000115,"",glyclt,glyclt,FDB003298,737,"GLYCOLLATE",glyclt,"Glycolic acid",DB03085,cpd00139,MNXM222,C00007461,3219,79-14-1,DTXSID0025363,AEMRFAOFKBGASW-UHFFFAOYSA-M,"InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)/p-1",[H]OC([H])([H])C([O-])=O
glycogen,"Glycogen",C6H10O5,0,0,0,,NaN,NaN,HMDB0000757,"",,,,NaN,"",glycogen,"",,cpd00155,MNXM55375,,NaN,,,,"",
glycogenb,"Glycogen(n-1)",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15302,,,NaN,,,,"",
glycys,"Gly-Cys",C5H10N2O3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15603,,,NaN,,,,"",
glygln,"Glycyl-L-glutamine",C7H13N3O4,0,0,0,,NaN,NaN,HMDB0028839,"",,,,NaN,"",,"",,cpd11580,,,NaN,,,,"",
glyglu,"Glycyl-L-glutamate",C7H11N2O5,-1,0,0,,NaN,NaN,HMDB0028840,"",,,,NaN,"",,"",,cpd11592,,,NaN,,,,"",
glygly,"Glycyl-glycine",C4H8N2O3,0,132.1179,132.0534921,C02037,11163,17201,HMDB0011733,"",glygly,,FDB028413,10690,"DIOXOPIPERAZINE",glygly,"Glycylglycine",,,MNXM4002,,NaN,556-50-3,DTXSID90862194,YMAWOPBAYDPSLA-UHFFFAOYSA-N,"InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)",[H]N(C(=O)C([H])([H])[N+]([H])([H])[H])C([H])([H])C([O-])=O
glygn1,"Glycogen, Structure 1 (Glycogenin-11[1,4-Glc])",C66H111O56X,0,0,0,,NaN,NaN,,"",glygn1,glygn1,,NaN,"",glygn1,"",,,MNXM11714,,NaN,,,,"",
glygn2,"Glycogen, Structure 2 (Glycogenin-1,6-{7[1,4-Glc], 4[1,4-Glc]})",C66H111O56X,0,0,0,,NaN,NaN,,"",glygn2,glygn2,,NaN,"",glygn2,"",,,MNXM8681,,NaN,,,,"",
glygn3,"Glycogen, Structure 3 (Glycogenin-7[1,4-Glc])",C42H71O36X,0,0,0,,NaN,NaN,,"",glygn3,glygn3,,NaN,"",glygn3,"",,,MNXM11715,,NaN,,,,"",
glygn4,"Glycogen, Structure 4 (Glycogenin-1,6-{2[1,4-Glc], [1,4-Glc]})",C18H31O16X,0,0,0,,NaN,NaN,,"",glygn4,glygn4,,NaN,"",glygn4,"",,,MNXM11716,,NaN,,,,"",
glygn5,"Glycogen, Structure 5 (Glycogenin-2[1,4-Glc])",C12H21O11X,0,0,0,,NaN,NaN,,"",glygn5,glygn5,,NaN,"",glygn5,"",,,MNXM11717,,NaN,,,,"",
glyhisasn,"Glycyl-Histidyl-Asparagine",C12H18N6O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,AYBKPDHHVADEDA-JGVFFNPUSA-N,"InChI=1S/C12H18N6O5/c13-3-10(20)17-7(1-6-4-15-5-16-6)11(21)18-8(12(22)23)2-9(14)19/h4-5,7-8H,1-3,13H2,(H2,14,19)(H,15,16)(H,17,20)(H,18,21)(H,22,23)/t7-,8+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C(=O)N([H])[H]
glyhislys,"Glycyl-Histidyl-Lysine",C14H25N6O4,1,340.3840027,340.1859033,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,49557-75-7,DTXSID30197831,MVORZMQFXBLMHM-WDEREUQCSA-O,"InChI=1S/C14H24N6O4/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24)/p+1/t10-,11+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
glyleu,"Glycylleucine",C8H16N2O3,0,188.2242,188.1160924,C02155,92843,185298,HMDB0000759,"",glyleu,,FDB022228,83812,"",glyleu,"L-leucine",DB01746,cpd15604,MNXM126241,,5727,869-19-2,,DKEXFJVMVGETOO-LURJTMIESA-N,"InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1",[H]N(C(=O)C([H])([H])[N+]([H])([H])[H])[C@]([H])(C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
glylyscys,"Glycyl-Lysyl-Cysteine",C11H23N4O4S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VLIJYPMATZSOLL-JGVFFNPUSA-O,"InChI=1S/C11H22N4O4S/c12-4-2-1-3-7(14-9(16)5-13)10(17)15-8(6-20)11(18)19/h7-8,20H,1-6,12-13H2,(H,14,16)(H,15,17)(H,18,19)/p+1/t7-,8+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])S[H]
glylysphe,"Glycyl-Lysyl-Phenylalanine",C17H27N4O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MHZXESQPPXOING-UONOGXRCSA-O,"InChI=1S/C17H26N4O4/c18-9-5-4-8-13(20-15(22)11-19)16(23)21-14(17(24)25)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,18-19H2,(H,20,22)(H,21,23)(H,24,25)/p+1/t13-,14+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
glymet,"Glycyl-L-methionine",C7H14N2O3S,0,0,0,,NaN,NaN,HMDB0028847,"",,,,NaN,"",,"",,cpd11591,,,NaN,,,,"",
glyphe,"Glycyl-Phenylalanine",C11H14N2O3,0,222.2405,222.1004423,,NaN,NaN,HMDB0028848,"",glyphe,glyphe,,NaN,"",glyphe,"",,cpd15605,MNXM8669,,NaN,,,JBCLFWXMTIKCCB-UHFFFAOYSA-N,"InChI=1S/C11H14N2O3/c12-7-10(14)13-9(11(15)16)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)",[H]N(C(=O)C([H])([H])[N+]([H])([H])[H])C([H])(C([O-])=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
glypro,"Glycylproline",C7H12N2O3,0,172.1818,172.0847923,,79101,356660,HMDB0000721,"",glypro,,FDB022202,71432,"",glypro,"",,cpd11588,MNXM11725,,5689,704-15-4,,KZNQNBZMBZJQJO-YFKPBYRVSA-N,"InChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1",[H][N+]([H])([H])C([H])([H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C([O-])=O
glysar,"Glycylsarcosine",C5H10N2O3,0,146.1459961,146.0691422,,93131,NaN,,"",glysar,glysar,,NaN,"",glysar,"",,,MNXM55458,,NaN,29816-01-1,DTXSID50183953,VYAMLSCELQQRAE-UHFFFAOYSA-N,"InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)",[H]C([H])([H])N(C(=O)C([H])([H])[N+]([H])([H])[H])C([H])([H])C([O-])=O
glytyr,"Glycyl-L-tyrosine",C11H14N2O4,0,0,0,,NaN,NaN,HMDB0028853,"",,,,NaN,"",,"",,cpd15606,,,NaN,,,,"",
glytyrlys,"Glycyl-Tyrosyl-Lysine",C17H27N4O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PNUFMLXHOLFRLD-UONOGXRCSA-O,"InChI=1S/C17H26N4O5/c18-8-2-1-3-13(17(25)26)21-16(24)14(20-15(23)10-19)9-11-4-6-12(22)7-5-11/h4-7,13-14,22H,1-3,8-10,18-19H2,(H,20,23)(H,21,24)(H,25,26)/p+1/t13-,14+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
glyvalhis,"Glycyl-Valyl-Histidine",C13H21N5O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,FULZDMOZUZKGQU-GXSJLCMTSA-N,"InChI=1S/C13H21N5O4/c1-7(2)11(18-10(19)4-14)12(20)17-9(13(21)22)3-8-5-15-6-16-8/h5-7,9,11H,3-4,14H2,1-2H3,(H,15,16)(H,17,20)(H,18,19)(H,21,22)/t9-,11+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1
glz,"Gliclazide",C15H20N3O3S,-1,323.4100037,323.1303627,D01599,3475,31654,HMDB0015252,"",,,,3356,"",,"Gliclazide",DB01120,,,,NaN,21187-98-4,DTXSID9023095,BOVGTQGAOIONJV-UHFFFAOYSA-N,"",
gm1_hs,"Ganglioside Gm1",C55H95N3O30FULLRCO,-1,0,0,C04911,NaN,18216,HMDB00117,"",gm1_hs,gm1_hs,,NaN,"",gm1_hs,"",,cpd12640,MNXM11641,,NaN,104443-62-1,DTXSID00883138,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[C@@](O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]3([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gm1a_hs,"Gm1Alpha",C55H95N3O30FULLRCO,-1,0,0,,NaN,NaN,,"",gm1a_hs,gm1a_hs,,NaN,"",gm1a_hs,"",,,MNXM92361,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[C@@](OC([H])([H])[C@@]2([H])O[C@@]([H])(O[C@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]2([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gm1b_hs,"Gm1B",C55H95N3O30FULLRCO,-1,0,0,G00125,NaN,NaN,,"",gm1b_hs,gm1b_hs,,NaN,"",gm1b_hs,"",,,MNXM8685,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[C@@](O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]4([H])C([H])([H])O[H])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gm2_hs,"Ganglioside GM2 (d18:1/12:0)",C49H85N3O25FULLRCO,-1,0,0,C04884,20057332,NaN,HMDB0004936,"",gm2_hs,gm2_hs,FDB023524,16744922,"CPD-1100",gm2_hs,"",,,MNXM11643,,7189,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[C@@](O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]3([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gm2a_hs,"Gm2Alpha",C49H85N3O25FULLRCO,-1,0,0,,NaN,NaN,,"",gm2a_hs,gm2a_hs,,NaN,"",gm2a_hs,"",,,MNXM92362,,NaN,,,,"",
gm3_hs,"Ganglioside GM3 (d18:1/12:0)",C41H72N2O20FULLRCO,-1,1097.3301,1096.650558,C04730,20057283,NaN,HMDB0004842,"",gm3_hs,gm3_hs,FDB023443,16744859,"ACETYLNEURAMINYL-ETCETERA-GLUCOS",gm3_hs,"",,,MNXM8636,,7101,54827-14-4,,WWDJRYLWFWMNJE-MDRDOSMGSA-N,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1([H])O[C@@](O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]3([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gmhep17bp,"D-Glycero-D-manno-heptose 1,7-bisphosphate",C7H12O13P2,-4,0,0,,NaN,NaN,,"",,,,NaN,"",gmhep17bp,"",,cpd08316,MNXM48518,,NaN,,,,"",
gmhep1p,"D-Glycero-D-manno-heptose 1-phosphate",C7H13O10P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",gmhep1p,"",,cpd04920,MNXM1661,,NaN,,,,"",
gmhep7p,"D-Glycero-D-manno-heptose 7-phosphate",C7H13O10P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",gmhep7p,"",,cpd04918,MNXM17114,,NaN,,,,"",
gmp,"Guanosine monophosphate",C10H12N5O8P,-2,363.2206,363.057999,C00144,6804,17345,HMDB0001397,"",gmp,gmp,FDB012390,6545,"GMP",gmp,"GMP",,cpd00126,MNXM113,C00019635,6216,85-32-5,DTXSID9044295,RQFCJASXJCIDSX-UUOKFMHZSA-L,"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/p-2/t3-,5-,6-,9-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC2=C1N=C(N([H])[H])N([H])C2=O
gncore1,"GlcNac-Alpha-1,4-Core 1",C22H37N2O15X,0,0,0,,NaN,NaN,,"",gncore1,gncore1,,NaN,"",gncore1,"",,,MNXM18091,,NaN,,,,"",
gncore1_rl,"released GlcNAc-alpha-1,4-Core 1",C22H38N2O16,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
gncore2,"GlcNac-Alpha-1,4-Core 2",C30H50N3O20X,0,0,0,,NaN,NaN,,"",gncore2,gncore2,,NaN,"",gncore2,"",,,MNXM18092,,NaN,,,,"",
gncore2_rl,"released GlcNAc-alpha-1,4-Core 2",C30H51N3O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
gp1c_hs,"Gp1C",C99H159N7O62FULLRCO,-5,0,0,,NaN,NaN,,"",gp1c_hs,gp1c_hs,,NaN,"",gp1c_hs,"",,,MNXM8689,,NaN,,,,"",
gp1calpha_hs,"Gp1C Alpha",C99H159N7O62FULLRCO,-5,0,0,,NaN,NaN,,"",gp1calpha_hs,gp1calpha_hs,,NaN,"",gp1calpha_hs,"",,,MNXM8690,,NaN,,,,"",[H]OC(=O)[C@]1(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[C@@](O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])(C(=O)O[H])C([H])([H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])O[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[C@]2(O[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[C@]5(O[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C5([H])[H])C(=O)O[H])[C@@]4([H])O[H])[C@@]3([H])N([H])C(=O)C([H])([H])[H])C2([H])[H])C(=O)O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H]
gpail_hs,"D-Glucosaminylphosphatidylinositol",C15H28NO13PFULLRCO2FULLR2CO2,0,0,0,C04248,NaN,17049,,"",gpail_hs,gpail_hs,,NaN,"",gpail_hs,"",,,MNXM1411,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O)[C@]([H])(N([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
gpi_hs,"Gpi Heparan Sulfate",C55H106N4O38P4FULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",gpi_hs,gpi_hs,,NaN,"",gpi_hs,"",,,MNXM6282,,NaN,,,,"",
gpi_prot_hs,"{[(Prot-PE-Man),(PE)-Man],[PE]}-Man-GlcN-AcylPI",C55H106N4O38P4FULLRCO2FULLR2CO2X,0,0,0,,NaN,NaN,,"",gpi_prot_hs,gpi_prot_hs,,NaN,"",gpi_prot_hs,"",,,MNXM11720,,NaN,,,,"",
gpi_sig,"Glycophosphatidylinositol (Gpi) Signal Sequence (C-Terminal Peptide)",Y,0,0,0,,NaN,NaN,,"",gpi_sig,gpi_sig,,NaN,"",gpi_sig,"",,,MNXM6283,,NaN,,,,"",
gq1b_hs,"Gq1B",C88H143N6O54FULLRCO,-4,0,0,C06139,NaN,27515,,"",gq1b_hs,gq1b_hs,,NaN,"",gq1b_hs,"",,,MNXM8691,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1([H])O[C@@](O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])C2([H])O[C@@](O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]5([H])[C@]([H])(O[C@@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]6([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]5([H])O[C@]5(OC([H])([C@]([H])(O[H])[C@]([H])(O[C@]6(OC([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C6([H])[H])C([O-])=O)C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C5([H])[H])C([O-])=O)C([H])([H])O[H])[C@]4([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gq1balpha_hs,"Gq1Balpha",C88H143N6O54FULLRCO,-4,0,0,G00129,NaN,NaN,,"",gq1balpha_hs,gq1balpha_hs,,NaN,"",gq1balpha_hs,"",,,MNXM7405,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1([H])O[C@@](OC([H])([H])[C@@]2([H])O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[C@]3(OC([H])([C@]([H])(O[H])[C@]([H])(O[C@]4(OC([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C4([H])[H])C([O-])=O)C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C3([H])[H])C([O-])=O)C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[C@]4(OC([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C4([H])[H])C([O-])=O)[C@@]3([H])O[H])[C@@]2([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gq1c_hs,"Gq1C",C88H143N6O54FULLRCO,-4,0,0,G00121,NaN,NaN,,"",gq1c_hs,gq1c_hs,,NaN,"",gq1c_hs,"",,,MNXM8692,,NaN,,,,"",
grdp,"Geranyl-PP",C10H17O7P2,-3,314.2091,314.068426,C00341,445995,17211,HMDB0001285,"",grdp,grdp,FDB001463,393471,"GERANYL-PP",grdp,"Geranyl pyrophosphate",DB02552,cpd00283,MNXM100,C00000846,6134,763-10-0,,GVVPGTZRZFNKDS-JXMROGBWSA-K,"InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/p-3/b10-7+",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)\C([H])([H])[H]
gsn,"Guanosine",C10H13N5O5,0,283.2407,283.0916686,C00387,6802,16750,HMDB0000133,"",gsn,gsn,FDB003632,6544,"GUANOSINE",gsn,"Guanosine",DB02857,cpd00311,MNXM401,C00019679,87,118-00-3,,NYHBQMYGNKIUIF-UUOKFMHZSA-N,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)[C@]([H])(O[H])[C@]1([H])O[H]
gt1a_hs,"Gt1A",C77H127N5O46FULLRCO,-3,0,0,C06138,NaN,27691,,"",gt1a_hs,gt1a_hs,,NaN,"",gt1a_hs,"",,,MNXM8693,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1([H])O[C@@](O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])C2([H])O[C@@](O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]5([H])[C@]([H])(O[C@@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]6([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]5([H])O[C@]5(OC([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C5([H])[H])C([O-])=O)C([H])([H])O[H])[C@]4([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gt1alpha_hs,"Gt1Aalpha",C77H127N5O46FULLRCO,-3,0,0,G00128,NaN,NaN,,"",gt1alpha_hs,gt1alpha_hs,,NaN,"",gt1alpha_hs,"",,,MNXM8694,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1([H])O[C@@](OC([H])([H])[C@@]2([H])O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[C@]3(OC([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C3([H])[H])C([O-])=O)C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[C@]4(OC([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C4([H])[H])C([O-])=O)[C@@]3([H])O[H])[C@@]2([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gt1b_hs,"Gt1B",C77H127N5O46FULLRCO,-3,0,0,C06140,NaN,28058,,"",gt1b_hs,gt1b_hs,,NaN,"",gt1b_hs,"",,cpd03660,MNXM8695,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1([H])O[C@@](O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])C2([H])O[C@@](O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[C@]5(OC([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C5([H])[H])C([O-])=O)[C@@]4([H])O[H])[C@@]3([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gt1c_hs,"Gt1C",C77H127N5O46FULLRCO,-3,0,0,G00120,NaN,NaN,,"",gt1c_hs,gt1c_hs,,NaN,"",gt1c_hs,"",,,MNXM11730,,NaN,,,,"",
gt2_hs,"Gt2",C71H117N5O41FULLRCO,-3,0,0,G00119,NaN,NaN,,"",gt2_hs,gt2_hs,,NaN,"",gt2_hs,"",,,MNXM11731,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1([H])O[C@@](O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])C2([H])O[C@@](O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])C3([H])O[C@@](O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]3([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gt3_hs,"Gt3",C63H104N4O36FULLRCO,-3,0,0,C06299,NaN,28541,,"",gt3_hs,gt3_hs,,NaN,"",gt3_hs,"",,,MNXM7406,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1([H])O[C@@](O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])C2([H])O[C@@](O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])C3([H])O[C@@](O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]3([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
gtacmp,"Glucuronide-Thiomethyl-Acetaminophen Conjugate",C15H18NO8S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
gthox,"Oxidized glutathione",C20H30N6O12S2,-2,612.631,612.1519619,C00127,975,17858,HMDB0003337,"glutathione disulfide",gthox,gthox,FDB023147,950,"OXIDIZED-GLUTATHIONE",gthox,"Glutathione disulfide",,cpd00111,MNXM151,,6893,27025-41-8,DTXSID5048972,YPZRWBKMTBYPTK-BJDJZHNGSA-L,"InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/p-2/t9-,10-,11-,12-/m0/s1",[H]N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C([H])([H])SSC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
gthrd,"Glutathione",C10H16N3O6S,-1,307.323,307.083806,C00051,124886,16856,HMDB0000125,"glutathione",gthrd,gthrd,FDB001498,111188,"GLUTATHIONE",gthrd,"Glutathione",DB00143,cpd00042,MNXM57,C00001518,44,70-18-8,DTXSID6023101,RWSXRVCMGQZWBV-WDSKDSINSA-M,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1",[H]SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O
gtp,"Guanosine triphosphate",C10H12N5O14P3,-4,523.1804,522.9906598,C00044,6830,15996,HMDB0001273,"GTP",gtp,gtp,FDB022527,6569,"GTP",gtp,"Guanosine triphosphate",,cpd00038,MNXM51,C00007223,6128,86-01-1,DTXSID30235328,XKMLYUALXHKNFT-UUOKFMHZSA-J,"InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC2=C1N=C(N([H])[H])N([H])C2=O
gtspmd,"Glutathionylspermidine",C17H36N6O5S,2,0,0,,NaN,NaN,,"",,,,NaN,"",gtspmd,"",,cpd03411,MNXM1329,,NaN,,,,"",
gua,"Guanine",C5H5N5O,0,151.1261,151.0494098,C00242,764,16235,HMDB0000132,"",gua,gua,FDB004222,744,"GUANINE",gua,"Guanine",DB02377,cpd00207,MNXM259,C00001501,315,73-40-5,DTXSID9052476,UYTPUPDQBNUYGX-UHFFFAOYSA-N,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",[H]N([H])C1=NC2=C(N=C([H])N2[H])C(=O)N1[H]
gudac,"Guanidoacetic acid",C3H7N3O2,0,117.1066,117.0538265,C00581,763,16344,HMDB0000128,"",gudac,gudac,FDB021898,743,"GUANIDOACETIC_ACID",gudac,"Glycocyamine",DB02751,,MNXM163818,C00051746,5163,352-97-6,,BPMFZUMJYQTVII-UHFFFAOYSA-N,"InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)",[H]N([H])C(N([H])C([H])([H])C([O-])=O)=[N+]([H])[H]
gudca3s,"Glycoursodeoxycholic acid 3-sulfate",C26H42NO8S,-1,0,0,,NaN,NaN,,"",,gudca3s,,NaN,"",,"",,,,,NaN,,,,"",
gullac,"L-Gulonolactone",C6H10O6,0,178.14,178.0477381,C01040,439373,17587,HMDB0003466,"",gullac,gullac,FDB023179,388493,"2-KETO-L-GULONOLACTONE",gullac,"",,cpd00765,MNXM928,,NaN,1128-23-0,DTXSID00331407,SXZYCXMUPBBULW-SKNVOMKLSA-N,"InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1",[H]OC([H])([H])[C@]([H])(O[H])[C@@]1([H])OC(=O)[C@@]([H])(O[H])[C@@]1([H])O[H]
guln,"Gulonic acid",C6H11O7,-1,196.1553,196.0583027,C00800,152304,16154,HMDB0003290,"",guln,guln,FDB023136,134243,"CPD-16836",guln,"",,cpd00594,MNXM1927,,344,20246-53-1,,RGHNJXZEOKUKBD-QTBDOELSSA-M,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/p-1/t2-,3+,4-,5-/m0/s1",[H]OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C([O-])=O
gum,"Gums",C2760000H5060000O2530000,0,0,0,,NaN,NaN,,"",gum,gum,,NaN,"",gum,"",,,MNXM163404,,NaN,,,,"",
gumdchac,"Guar Gum-Deoxyxholic Acid Complex",C2760024H5060039O2530004,-1,0,0,,NaN,NaN,,"",,gumdchac,,NaN,"",gumdchac,"",,,MNXM164825,,NaN,,,,"",
gumgchol,"Guar Gum-Glycocholate Complex",C2760026H5060043NO2530006,0,0,0,,NaN,NaN,,"",gumgchol,gumgchol,,NaN,"",gumgchol,"",,,MNXM164826,,NaN,,,,"",
gumtchol,"Guar Gum-Taurocholic Acid Complex",C2760026H5060045NO2530007S,0,0,0,,NaN,NaN,,"",gumtchol,gumtchol,,NaN,"",gumtchol,"",,,MNXM164827,,NaN,,,,"",
h,"Hydrogen Ion",H,1,1.0079,1.007825032,C00080,1038,15378,HMDB0059597,"",h,h,,1010,"",h,"Hydrogen_cation",,cpd00067,MNXM1,,NaN,12408-02-5,,GPRLSGONYQIRFK-UHFFFAOYSA-N,"InChI=1S/p+1",[H+]
h2,"Hydrogen",H2,0,2.0159,2.015650064,C00282,783,18276,HMDB0001362,"",,,FDB016247,762,"HYDROGEN-MOLECULE",h2,"Hydrogen",,cpd11640,MNXM195,,NaN,1333-74-0,,UFHFLCQGNIYNRP-UHFFFAOYSA-N,"InChI=1S/H2/h1H",[H][H]
h2co3,"Carbonic acid",CH2O3,0,62.0248,62.00039393,C01353,767,28976,HMDB0003538,"",,h2co3,FDB023191,747,"CARBON-DIOXIDE",h2co3,"Carbonic acid",,,MNXM60,,6944,463-79-6,DTXSID2049921,BVKZGUZCCUSVTD-UHFFFAOYSA-N,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",[O-]C([O-])=O
h2mb4p,"1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate",C5H9O8P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",h2mb4p,"",,cpd08615,MNXM606,,NaN,,,,"",
h2o,"Water",H2O,0,18.0153,18.01056469,C00001,962,15377,HMDB0002111,"H2O",h2o,h2o,FDB013390,937,"",h2o,"Water",,cpd00001,MNXM2,,3194,7732-18-5,DTXSID6026296,XLYOFNOQVPJJNP-UHFFFAOYSA-N,"InChI=1S/H2O/h1H2",[H]O[H]
h2o2,"Hydrogen peroxide",H2O2,0,34.0147,34.00547931,C00027,784,16240,HMDB0003125,"hydrogen peroxide",h2o2,h2o2,FDB014562,763,"HYDROGEN-PEROXIDE",h2o2,"Hydrogen peroxide",,cpd00025,MNXM22,,NaN,7722-84-1,DTXSID2020715,MHAJPDPJQMAIIY-UHFFFAOYSA-N,"InChI=1S/H2O2/c1-2/h1-2H",[H]OO[H]
h2s,"H2S",H2S,0,0,0,,NaN,NaN,HMDB0003276,"",,,,NaN,"",h2s,"",,cpd00239,MNXM89582,,NaN,,,,"",
h4mpt,"5,6,7,8-Tetrahydromethanopterin",C30H42N6O16P,-3,776.6827,776.2629659,C01217,5462234,17321,HMDB0060403,"",,,,4575335,"",h4mpt,"",,cpd00895,MNXM668,,NaN,,,SCBIBGUJSMHIAI-LHIIQLEZSA-N,"InChI=1S/C30H45N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/t12-,13+,16+,17-,18+,19-,21+,23+,24-,25-,29+/m1/s1",
ha,"Hyaluronic acid",C28H40N2O22,-2,425.3851,425.1533253,C00518,53477741,NaN,HMDB0002061,"",ha,ha,FDB022824,NaN,"",ha,"Hyaluronic acid",,,MNXM18575,,NaN,9004-61-9,DTXSID7046750,YWIVKILSMZOHHF-QJZPQSOGSA-N,"InChI=1S/C28H44N2O23.Na/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43;/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45);/q;+1/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25-,26+,27-,28-;/m1./s1",[Na+].[H]OC(=O)[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]3([H])[C@]([H])(O[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[H])[C@]4([H])N=C(O[H])C([H])([H])[H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[H])C(=O)O[H])[C@]2([H])N=C(O[H])C([H])([H])[H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
ha_deg1,"Hyaluronan Degradation Product 1",C22H33N2O16,-1,0,0,,NaN,NaN,,"",ha_deg1,ha_deg1,,NaN,"",ha_deg1,"",,,MNXM11834,,NaN,,,,"",
ha_pre1,"Hyaluronan biosynthesis, precursor 1",C14H20NO11,-1,379.3166,379.1114605,C04794,440484,16126,HMDB0060071,"",ha_pre1,ha_pre1,,389411,"",ha_pre1,"",,,MNXM7438,,NaN,,,DLGJWSVWTWEWBJ-UCFDOFRFSA-M,"InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/p-1/t5-,7+,8+,9+,10+,11+,13+,14-/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[C@]2([H])OC(=C([H])[C@]([H])(O[H])[C@@]2([H])O[H])C([O-])=O)[C@]1([H])O[H]
hacon_C,"Cis-Homoaconitate (iAF692)",C7H5O6,-3,0,0,,NaN,NaN,,"",,,,NaN,"",hacon_C,"",,cpd02483,MNXM920,,NaN,,,,"",
HC00001,"Albumin",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,DTXSID1040409,,"",
HC00002,"Antichymotrypsin",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC00003,"Antitrypsin",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC00004,"Apoa1",X,0,0,0,,NaN,NaN,,"",,HC00004,,NaN,"",HC00004,"",,,MNXM163754,,NaN,,,,"",
HC00005,"ApoB100",X,0,0,0,,NaN,NaN,,"",,HC00005,,NaN,"",,"",,,,,NaN,,,,"",
HC00006,"ApoC1",X,0,0,0,,NaN,NaN,,"",,HC00006,,NaN,"",,"",,,,,NaN,,,,"",
HC00007,"ApoC2",X,0,0,0,,NaN,NaN,,"",,HC00007,,NaN,"",,"",,,,,NaN,,,,"",
HC00008,"ApoC3",X,0,0,0,,NaN,NaN,,"",,HC00008,,NaN,"",,"",,,,,NaN,,,,"",
HC00009,"ApoE",X,0,0,0,,NaN,NaN,,"",,HC00009,,NaN,"",,"",,,,,NaN,,,,"",
HC00250,"Hydrogen sulfide",HS,-1,34.081,33.98772075,C00283,402,16136,HMDB0003276,"",HC00250,HC00250,FDB009599,391,"HS",HC00250,"Hydrogen sulfide",,,MNXM162964,C00007266,3193,,,RWSOTUBLDIXVET-UHFFFAOYSA-M,"InChI=1S/H2S/h1H2/p-1",[S-][H]
HC00319,"Malonic acid",C3H2O4,-2,104.0615,104.0109586,C00383,867,30794,HMDB0000691,"",,HC00319,FDB008117,844,"MALONATE",HC00319,"Malonic acid",DB02175,cpd00308,MNXM163844,C00001193,3237,141-82-2,DTXSID7021659,OFOBLEOULBTSOW-UHFFFAOYSA-L,"InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2",[H]C([H])(C([O-])=O)C([O-])=O
HC00342,"cis-Aconitic acid",C6H3O6,-3,174.1082,174.0164379,C00417,643757,32805,HMDB0000072,"",HC00342,HC00342,FDB008306,558863,"CIS-ACONITATE",HC00342,"",,,MNXM162425,C00001177,5130,585-84-2,DTXSID30883449,GTZCVFVGUGFEME-IWQZZHSRSA-K,"InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b3-1-",[H]\C(C([O-])=O)=C(\C([O-])=O)C([H])([H])C([O-])=O
HC00361,"Sedoheptulose 1,7-bisphosphate",C7H12O13P2,-4,370.1417,370.0066136,C00447,164735,17969,HMDB0060274,"",HC00361,HC00361,,144412,"",HC00361,"Sedoheptulose-bisphosphatase",,,MNXM163895,,NaN,9055-32-7,,OKHXOUGRECCASI-SHUUEZRQSA-J,"InChI=1S/C7H16O13P2/c8-3(1-19-21(13,14)15)5(10)7(12)6(11)4(9)2-20-22(16,17)18/h3,5-8,10-12H,1-2H2,(H2,13,14,15)(H2,16,17,18)/p-4/t3-,5-,6-,7-/m1/s1",[H]O[C@]([H])(C(=O)C([H])([H])OP([O-])([O-])=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])OP([O-])([O-])=O
HC00460,"Gentisic acid",C7H5O4,-1,154.121,154.0266087,C00628,3469,17189,HMDB0000152,"",,HC00460,FDB000844,3350,"",HC00460,"Gentisic acid",,cpd00479,MNXM850,C00002648,618,490-79-9,DTXSID30197659,WXTMDXOMEHJXQO-UHFFFAOYSA-M,"InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)/p-1",[H]OC1=C([H])C(C([O-])=O)=C(O[H])C([H])=C1[H]
HC00576,"Homocarnosine",C10H15N4O3,-1,0,0,C00884,NaN,NaN,HMDB0000745,"",HC00576,HC00576,,NaN,"",HC00576,"",,,MNXM56612,,NaN,,,CCLQKVKJOGVQLU-QMMMGPOBSA-M,"InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/p-1/t8-/m0/s1",[H]OC(=O)[C@@]([H])(N=C(O[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H]
HC00591,"2-Keto-glutaramic acid",C5H6NO4,-1,145.1134,145.0375077,C00940,48,30882,HMDB0001552,"",HC00591,HC00591,FDB022686,47,"2-KETO-GLUTARAMATE",HC00591,"",,cpd00695,MNXM575,,6318,18465-19-5,DTXSID60171604,COJBGNAUUSNXHX-UHFFFAOYSA-M,"InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10)/p-1",[H]N([H])C(=O)C([H])([H])C([H])([H])C(=O)C([O-])=O
HC00617,"Ferricytochrome B5",X,0,0,0,C00996,NaN,18097,,"",HC00617,HC00617,,NaN,"",,"",,,,,NaN,,,,"",
HC00619,"Ferrocytochrome B5",X,0,0,0,C00999,NaN,NaN,,"",HC00619,HC00619,,NaN,"",,"",,,,,NaN,,,,"",
HC00664,"D-Tagatose 6-phosphate",C6H11O9P,-2,260.1358,260.0297185,C01097,439396,4251,HMDB0006873,"",,HC00664,FDB024128,388513,"",HC00664,"",,,MNXM164716,,NaN,,,BGWGXPAPYGQALX-OEXCPVAWSA-L,"InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/p-2/t3-,4+,5+,6?/m1/s1",[H]OC([H])([H])C1(O[H])O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@]([H])(O[H])[C@]1([H])O[H]
HC00682,"S-Acetyldihydrolipoamide",C10H19NO2S2,0,249.393,249.0857202,C01136,1076,16807,HMDB0001526,"",HC00682,HC00682,FDB022671,1046,"S-ACETYLDIHYDROLIPOAMIDE",HC00682,"",,,MNXM4815,,6299,,,ARGXEXVCHMNAQU-UHFFFAOYSA-N,"InChI=1S/C10H19NO2S2/c1-8(12)15-9(6-7-14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)",[H]SC([H])([H])C([H])([H])C([H])(SC(=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[H]
HC00695,"(S)-Succinyldihydrolipoamide",C12H20NO4S2,-1,307.429,307.0911995,C01169,439425,17432,HMDB0001177,"",HC00695,,FDB022467,388536,"CPD0-341",HC00695,"",,cpd00860,MNXM3710,,6058,,,KWKBJWYJJBQOAE-UHFFFAOYSA-M,"InChI=1S/C12H21NO4S2/c13-10(14)4-2-1-3-9(18)7-8-19-12(17)6-5-11(15)16/h9,18H,1-8H2,(H2,13,14)(H,15,16)/p-1",[H]SC([H])(C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[H]
HC00718,"N-Methylethanolaminium Phosphate",C3H9NO4P,-1,0,0,C01210,439436,16463,,"",HC00718,HC00718,,NaN,"",HC00718,"",,cpd00888,MNXM1491,,NaN,,,HZDCAHRLLXEQFY-UHFFFAOYSA-M,"InChI=1S/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)/p-1",[H]C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])OP([O-])([O-])=O
HC00822,"Chitobiose",C16H28N2O11,0,426.3731,426.1485743,C01674,22833609,NaN,HMDB0003556,"",HC00822,HC00822,FDB023196,17216232,"CHITOBIOSE",HC00822,"Chitobiose",,,MNXM147448,,6953,577-76-4,,CDOJPCSDOXYJJF-AGBFQKNOSA-N,"InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16+/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])(O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
HC00832,"L-Fuculose",C6H12O5,0,164.1565,164.0684735,C01721,6857362,17617,HMDB0060267,"",HC00832,,,5256704,"L-FUCULOSE",HC00832,"Fuculose",,,MNXM1748,C00019650,NaN,13074-08-3,,QZNPNKJXABGCRC-LFRDXLMFSA-N,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1",[H]OC([H])([H])C(=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])[H]
HC00900,"Methylmalonic acid",C4H4O4,-2,118.088,118.0266087,C02170,487,30860,HMDB0000202,"",HC00900,HC00900,FDB021905,473,"",HC00900,"Methylmalonic acid",,cpd01468,MNXM1572,,3712,516-05-2,DTXSID00199549,ZIYVHBGGAOATLY-UHFFFAOYSA-L,"InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)/p-2",[H]C([H])([H])C([H])(C([O-])=O)C([O-])=O
HC00955,"L-3-Cyanoalanine",C4H5N2O2,-1,114.1026,114.0429274,C02512,439742,16934,HMDB0060245,"",,HC00955,,388802,"CPD-603",HC00955,"",,cpd01651,MNXM1014,,NaN,,,BXRLWGXPSRYJDZ-VKHMYHEASA-M,"InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/p-1/t3-/m0/s1",[H][N+]([H])([H])[C@]([H])(C([O-])=O)C([H])([H])C#N
HC01104,"4-Nitrophenyl-Phosphate",C6H4NO6P,-2,0,0,C03360,378,17440,,"",HC01104,HC01104,,NaN,"",HC01104,"",,cpd02135,MNXM3867,,NaN,,,XZKIHKMTEMTJQX-UHFFFAOYSA-L,"InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)/p-2",[H]C1=C([H])C(=C([H])C([H])=C1OP([O-])([O-])=O)[N+]([O-])=O
HC01115,"N-Glycolylneuraminic acid",C11H18NO10,-1,325.2693,325.1008958,C03410,123802,62084,HMDB0000833,"",HC01115,,FDB001165,110352,"",HC01115,"N-glycolylneuraminic_acid",,,MNXM5842,,3580,1113-83-3,,FDJKUWYYUZCUJX-PGIATKPXSA-M,"InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/p-1/t4-,5+,7+,8+,9+,11?/m0/s1",[H]OC([H])([H])C(=O)N([H])[C@]1([H])[C@@]([H])(O[H])C([H])([H])C(O[H])(O[C@@]1([H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])C([O-])=O
HC01118,"Presqualene diphosphate",C30H49O7P2,-3,586.6772,586.318827,C03428,5280592,15442,HMDB0001278,"",HC01118,HC01118,FDB022531,4444207,"CPD-465",,"",,,,,6132,29849-75-0,,ATZKAUGGNMSCCY-VYCBRMPGSA-K,"InChI=1S/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,35)(H2,31,32,33)/p-3/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])[C@@]1([H])[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
HC01161,"Apo-ACP",X,0,0,0,C03688,NaN,NaN,,"",HC01161,,,NaN,"",HC01161,"",,,MNXM2214,,NaN,,,,"",
HC01162,"CMP-N-glycoloylneuraminate",C20H29N4O17P,-2,630.4505,630.1421821,C03691,53481387,18098,HMDB0012206,"",HC01162,,FDB028851,NaN,"CPD-262",HC01162,"",,,MNXM163617,,NaN,98300-80-2,,HOEWKBQADMRCLO-UIUGZIMDSA-L,"InChI=1S/C20H31N4O17P/c21-10-1-2-24(19(35)22-10)17-15(32)14(31)9(39-17)6-38-42(36,37)41-20(18(33)34)3-7(27)12(23-11(29)5-26)16(40-20)13(30)8(28)4-25/h1-2,7-9,12-17,25-28,30-32H,3-6H2,(H,23,29)(H,33,34)(H,36,37)(H2,21,22,35)/p-2/t7-,8+,9+,12+,13+,14+,15+,16+,17+,20+/m0/s1",[H]OC([H])([H])C(=O)N([H])[C@]1([H])[C@@]([H])(O[H])C([H])([H])[C@](OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=NC3=O)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])(O[C@@]1([H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])C([O-])=O
HC01180,"D-Tagatose 1,6-bisphosphate",C6H10O12P2,-4,340.1157,339.9960489,C03785,440117,4250,HMDB0006872,"",,HC01180,FDB024127,389117,"",HC01180,"",,,MNXM164715,,NaN,,,RNBGYGVWRKECFJ-OEXCPVAWSA-J,"InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/p-4/t3-,4+,5+,6?/m1/s1",[H]O[C@@]1([H])[C@]([H])(OC(O[H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])C([H])([H])OP([O-])([O-])=O
HC01223,"3-Hydroxyisobutyryl Coenzyme A",C25H38N7O18P3S,-4,0,0,C04047,45259165,15481,,"",HC01223,HC01223,,NaN,"",,"",,,,,NaN,,,WWEOGFZEFHPUAM-MIZDRFBCSA-J,"InChI=1S/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,33,35-36H,4-10H2,1-3H3,(H,27,34)(H,28,37)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t13?,14-,17-,18-,19+,23-/m1/s1",[H]OC([H])([H])C([H])(C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O)C([H])([H])[H]
HC01231,"D-Pantothenoyl-L-cysteine",C12H21N2O6S,-1,322.378,322.1198571,C04079,440217,18416,HMDB0006834,"",HC01231,,FDB024110,389202,"",HC01231,"",,cpd02524,MNXM3059,,NaN,,,QSYCTARXWYLMOF-CBAPKCEASA-M,"InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/p-1/t7-,9-/m0/s1",[H]OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])S[H]
HC01254,"6-Lactoyltetrahydropterin",C9H13N5O3,0,239.2312,239.1018393,C04244,169508,17248,HMDB0002065,"",HC01254,HC01254,FDB022828,148245,"6-LACTOYL-5678-TETRAHYDROPTERIN",HC01254,"",,,MNXM1902,,6468,33405-80-0,,HKCYZTKHPLJZDR-UHFFFAOYSA-N,"InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17)",[H]OC([H])(C(=O)C1([H])N([H])C2=C(N=C(N([H])[H])N([H])C2=O)N([H])C1([H])[H])C([H])([H])[H]
HC01255,"But-2-Enoyl-ACP",C4H5OSR,0,0,0,C04246,NaN,NaN,,"",HC01255,,,NaN,"",,"",,,,,NaN,,,,"",[H]\C(=C(\[H])C([H])([H])[H])C(=O)S[*]
HC01321,"(R)-3-Hydroxybutanoyl-ACP",C4H7O2SR,0,0,0,C04618,NaN,NaN,,"",HC01321,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@]([H])(C([H])([H])[H])C([H])([H])C(=O)S[*]
HC01322,"(R)-3-Hydroxydecanoyl-ACP",C10H19O2SR,0,0,0,C04619,NaN,NaN,,"",HC01322,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]([H])(C([H])([H])C(=O)S[*])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC01323,"(R)-3-Hydroxyoctanoyl-ACP",C8H15O2SR,0,0,0,C04620,NaN,NaN,,"",HC01323,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]([H])(C([H])([H])C(=O)S[*])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC01326,"(R)-3-Hydroxypalmitoyl-ACP",C16H31O2SR,0,0,0,C04633,NaN,NaN,,"",HC01326,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]([H])(C([H])([H])C(=O)S[*])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC01335,"(R)-3-Hydroxytetradecanoyl-ACP",C40H45N11O19,-6,0,0,C04688,NaN,NaN,,"",HC01335,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]([H])(C([H])([H])C(=O)S[*])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC01361,"7,8-Dihydroneopterin",C9H13N5O4,0,255.2306,255.0967539,C04874,659,17001,HMDB0002275,"",,HC01361,FDB022940,639,"DIHYDRONEOPTERIN-P3",HC01361,"",,,MNXM993,C00007312,6588,1218-98-0,DTXSID00153368,YQIFAMYNGGOTFB-XINAWCOVSA-N,"InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6+/m1/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1=NC2=C(N=C(N([H])[H])N([H])C2=O)N([H])C1([H])[H]
HC01376,"S-(2-Methylbutanoyl)-dihydrolipoamide",C13H25NO2S2,0,291.473,291.1326704,C05118,440565,28692,HMDB0006869,"",HC01376,HC01376,FDB024125,389465,"",HC01376,"",,cpd14703,MNXM9096,,NaN,,,UFNCWFSSEGPJNL-UHFFFAOYSA-N,"InChI=1S/C13H25NO2S2/c1-3-10(2)13(16)18-9-8-11(17)6-4-5-7-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)",[H]SC([H])(C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[H]
HC01377,"S-(3-Methylbutanoyl)-dihydrolipoamide-E",C13H25NO2S2,0,291.473,291.1326704,C05119,440566,27462,HMDB0006867,"",HC01377,HC01377,FDB024123,389466,"",HC01377,"",,cpd14699,MNXM5589,,NaN,,,KMUSXGCRMMQDBP-UHFFFAOYSA-N,"InChI=1S/C13H25NO2S2/c1-10(2)9-13(16)18-8-7-11(17)5-3-4-6-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)",[H]SC([H])(C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[H]
HC01397,"(S)-3-Hydroxyhexadecanoyl-CoA",C37H62N7O18P3S,-4,1021.942,1021.339789,C05258,440600,27402,HMDB0003932,"(S)-3-hydroxypalmitoyl-CoA",HC01397,HC01397,FDB023251,389498,"",,"",,,,,NaN,35106-50-4,,DEHLMTDDPWDRDR-BCIKBWLNSA-J,"InChI=1S/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t25-,26+,30+,31+,32-,36+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
HC01405,"(S)-Hydroxyoctanoyl-CoA",C29H46N7O18P3S,-4,909.73,909.2145881,C05266,53477508,28632,HMDB0003940,"(S)-3-hydroxyoctanoyl-CoA",,HC01405,FDB023259,NaN,"",,"",,,,,NaN,79171-48-5,,ATVGTMKWKDUCMS-OTOYJEMWSA-J,"InChI=1S/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t17-,18+,22+,23+,24-,28+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
HC01406,"3-Oxooctanoyl-CoA",C29H44N7O18P3S,-4,907.714,907.198938,C05267,440608,28264,HMDB0003941,"3-oxooctanoyl-CoA",HC01406,HC01406,FDB023260,389506,"7-METHYL-3-OXOOCTANOYL-COA",,"",,,,,NaN,54684-64-9,DTXSID40331507,WPIVBCGRGVNDDT-CECATXLMSA-J,"InChI=1S/C29H48N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-16,18,22-24,28,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/p-4/t18-,22-,23-,24+,28-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
HC01407,"(S)-Hydroxyhexanoyl-CoA",C27H42N7O18P3S,-4,881.677,881.1832879,C05268,440609,28276,HMDB0003942,"(S)-3-hydroxyhexanoyl-CoA",HC01407,HC01407,FDB023261,389507,"",,"",,,,,NaN,5060-32-2,,VAAHKRMGOFIORX-IKTBLOROSA-J,"InChI=1S/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t15-,16+,20+,21+,22-,26+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
HC01408,"3-Oxohexanoyl-CoA",C27H40N7O18P3S,-4,879.661,879.1676379,C05269,440610,27648,HMDB0003943,"3-oxohexanoyl-CoA",HC01408,HC01408,FDB023262,389508,"K-HEXANOYL-COA",,"",,,,,NaN,19774-86-8,,NFOYYXQAVVYWKV-HDRQGHTBSA-J,"InChI=1S/C27H44N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-14,16,20-22,26,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t16-,20-,21-,22+,26-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
HC01412,"(2E)-Tetradecenoyl Coenzyme A",C35H56N7O17P3S,-4,0,0,C05273,NaN,27721,,"trans-tetradec-2-enoyl-CoA",HC01412,HC01412,,NaN,"",,"",,,,,NaN,,,MBCVYCOKMMMWLX-YYMFEJJQSA-J,"InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b15-14+/t24-,28-,29-,30+,34-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
HC01415,"(2E)-Octenoyl-CoA",C29H44N7O17P3S,-4,891.714,891.2040234,C05276,5280769,27537,HMDB0003949,"trans-oct-2-enoyl-CoA",HC01415,HC01415,FDB023268,4444335,"",,"",,,,,NaN,10018-94-7,DTXSID90331512,CPSDNAXXKWVYIY-IKYZEIRISA-J,"InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h8-9,16-18,22-24,28,39-40H,4-7,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b9-8+/t18-,22-,23-,24+,28-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
HC01434,"Oxalosuccinic acid",C6H3O7,-3,190.1076,190.0113525,C05379,972,7815,HMDB0003974,"",HC01434,HC01434,FDB023277,947,"OXALO-SUCCINATE",HC01434,"Oxalosuccinate",,cpd03187,MNXM1289,,6996,1948-82-9,,UFSCUAXLTRFIDC-UHFFFAOYSA-K,"InChI=1S/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3",[H]C([H])(C([O-])=O)C([H])(C([O-])=O)C(=O)C([O-])=O
HC01435,"3-Carboxy-1-hydroxypropylthiamine diphosphate",C16H21N4O10P2S,-3,527.403,527.0766618,C05381,440649,1463,HMDB0006744,"",HC01435,,FDB024054,389531,"",HC01435,"",,cpd03189,MNXM3480,,NaN,,,ZWUKRGPVMMTMAF-UHFFFAOYSA-K,"InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,12,21H,3-6,8H2,1-2H3,(H5-,17,18,19,22,23,24,25,26,27,28)/p-3",[H]OC([H])(C1=[N+](C(=C(S1)C([H])([H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)C([H])([H])[H])C([H])([H])C1=C(N=C(N=C1[H])C([H])([H])[H])N([H])[H])C([H])([H])C([H])([H])C([O-])=O
HC01440,"3-Keto-b-D-galactose",C6H10O6,0,178.14,178.0477381,C05394,440653,27453,HMDB0001385,"",,HC01440,FDB022595,389534,"CPD-1242",HC01440,"",,cpd03193,MNXM4339,,6206,,,APIQNBNBIICCON-VPXOEYFHSA-N,"InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2/t2-,3+,5-,6-/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[H])[C@]([H])(O[H])C(=O)[C@@]1([H])O[H]
HC01441,"Lactose-6P",C12H21O14P,-2,0,0,C05396,NaN,NaN,,"",HC01441,HC01441,,NaN,"",HC01441,"",,,MNXM163840,,NaN,,,ITPHOIFCAFNCLL-QKKXKWKRSA-N,"InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[C@]1([H])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
HC01444,"Galactosylglycerol",C9H18O8,0,254.2344,254.1001676,C05401,656504,15754,HMDB0006790,"",HC01444,HC01444,FDB024079,570889,"",HC01444,"",,cpd03197,MNXM2608,,NaN,,,NHJUPBDCSOGIKX-NVMJTSJSSA-N,"InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])C([H])([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
HC01446,"3'-Ketolactose",C12H20O11,0,340.2806,340.1005615,C05403,440659,NaN,HMDB0001030,"",,HC01446,FDB022379,389539,"3-KETOLACTOSE",HC01446,"",,,MNXM36578,,NaN,15990-62-2,,HKKHTABTHSUDBP-ILXILVFVSA-N,"InChI=1S/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-5,7-15,17-20H,1-2H2/t3-,4-,5+,7-,8-,9-,10-,11?,12+/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])(O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])C(=O)[C@@]1([H])O[H]
HC01459,"3a,7a,12a,24-Tetrahydroxy-5b-cholestanoyl-CoA",C48H76N7O21P3S,-4,1216.169,1215.434083,C05450,440677,27458,HMDB0006890,"",HC01459,HC01459,FDB024137,389556,"",HC01459,"",,cpd03233,MNXM827,,NaN,,,PXHZOQNODUPJKC-YZBUYOTGSA-J,"InChI=1S/C48H80N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-34,36,38-40,44,56-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/p-4/t24-,25?,26+,27-,28-,29+,30+,31?,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])(O[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
HC01496,"2-Amino-3-Oxoadipate",C6H8NO5,-1,0,0,C05520,440714,NaN,,"",HC01496,HC01496,,NaN,"",,"",,,,,NaN,,,HXWZRYKURKEOSO-UHFFFAOYSA-M,"InChI=1S/C6H9NO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2,7H2,(H,9,10)(H,11,12)/p-1",[H][N+]([H])([H])C([H])(C([O-])=O)C(=O)C([H])([H])C([H])([H])C([O-])=O
HC01501,"Thiosulfate",HO3S2,-1,112.128,111.9288852,C00320,1084,16094,HMDB0000257,"",HC01501,HC01501,FDB021921,1054,"S2O3",HC01501,"Thiosulfate",,,MNXM164836,,5260,14383-50-7,,DHCDFWKWKRSZHF-UHFFFAOYSA-M,"InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-1",[H]SS([O-])(=O)=O
HC01522,"Gentisate aldehyde",C7H6O3,0,138.1207,138.0316941,C05585,70949,28508,HMDB0004062,"",,HC01522,FDB023295,64111,"",HC01522,"",,,MNXM4270,,NaN,1194-98-5,DTXSID1061601,CLFRCXCBWIQVRN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H",[H]OC1=C([H])C([H])=C(O[H])C(C([H])=O)=C1[H]
HC01577,"gamma-Glutamyl-beta-cyanoalanine",C9H12N3O5,-1,243.2166,243.0855205,C05711,53297342,10565,HMDB0060478,"",,HC01577,,NaN,"",HC01577,"",,cpd03407,MNXM11629,,NaN,,,QUAADUAOVLZBJM-WDSKDSINSA-M,"InChI=1S/C9H13N3O5/c10-4-3-6(9(16)17)12-7(13)2-1-5(11)8(14)15/h5-6H,1-3,11H2,(H,12,13)(H,14,15)(H,16,17)/p-1/t5-,6-/m0/s1",[H]N(C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@]([H])(C([O-])=O)C([H])([H])C#N
HC01587,"Acetoacetyl-ACP",X,0,0,0,C05744,NaN,NaN,,"",HC01587,,,NaN,"",,"",,,,,NaN,,,,"",[H]C([H])([H])C(=O)C([H])([H])C(=O)S[*]
HC01588,"Butyryl-ACP",X,0,0,0,C05745,NaN,NaN,,"",HC01588,,,NaN,"",,"",,,,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C(=O)S[*]
HC01589,"3-Oxohexanoyl-ACP",X,0,0,0,C05746,NaN,NaN,,"",HC01589,,,NaN,"",,"",,,,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(=O)S[*]
HC01590,"D-3-Hydroxyhexanoyl-ACP",C6H11O2SR,0,0,0,C05747,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]([H])(C([H])([H])C(=O)S[*])C([H])([H])C([H])([H])C([H])([H])[H]
HC01591,"(2E)-Hexenoyl-ACP",C6H9OSR,0,0,0,C05748,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)S[*]
HC01592,"Hexanoyl-ACP",X,0,0,0,C05749,NaN,NaN,,"",HC01592,,,NaN,"",,"",,,,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)S[*]
HC01593,"3-Oxooctanoyl-ACP",X,0,0,0,C05750,NaN,NaN,,"",HC01593,,,NaN,"",,"",,,,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(=O)S[*]
HC01594,"(2E)-Octenoyl-ACP",C8H13OSR,0,0,0,C05751,NaN,NaN,,"",HC01594,,,NaN,"",,"",,,,,NaN,,,,"",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)S[*]
HC01595,"Octanoyl-ACP",C8H15ORS,0,0,0,C05752,NaN,NaN,,"",HC01595,,,NaN,"",,"",,,,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)S[*]
HC01596,"3-Oxodecanoyl-ACP",X,0,0,0,C05753,NaN,NaN,,"",HC01596,,,NaN,"",,"",,,,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(=O)S[*]
HC01597,"(2E)-Decenoyl-ACP",C10H17OSR,0,0,0,C05754,NaN,NaN,,"",HC01597,,,NaN,"",,"",,,,,NaN,,,,"",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)S[*]
HC01598,"Decanoyl-ACP",C10H19ORS,0,0,0,C05755,NaN,NaN,,"",HC01598,,,NaN,"",,"",,,,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)S[*]
HC01599,"3-Oxododecanoyl-ACP",X,0,0,0,C05756,NaN,NaN,,"",HC01599,,,NaN,"",,"",,,,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(=O)S[*]
HC01600,"D-3-Hydroxydodecanoyl-ACP",C12H23O2SR,0,0,0,C05757,NaN,NaN,,"",HC01600,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]([H])(C([H])([H])C(=O)S[*])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC01601,"(2E)-Dodecenoyl-ACP",C12H21OSR,0,0,0,C05758,NaN,NaN,,"",HC01601,,,NaN,"",,"",,,,,NaN,,,,"",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)S[*]
HC01602,"3-Oxotetradecanoyl-ACP",X,0,0,0,C05759,NaN,NaN,,"",HC01602,,,NaN,"",,"",,,,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(=O)S[*]
HC01603,"(2E)-Tetradecenoyl-ACP",X,0,0,0,C05760,NaN,NaN,,"",HC01603,,,NaN,"",,"",,,,,NaN,,,,"",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)S[*]
HC01605,"3-Oxohexadecanoyl-ACP",X,0,0,0,C05762,NaN,NaN,,"",HC01605,,,NaN,"",,"",,,,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(=O)S[*]
HC01606,"(2E)-Hexadecenoyl-ACP",C16H29OSR,0,0,0,C05763,NaN,NaN,,"",HC01606,,,NaN,"",,"",,,,,NaN,,,,"",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)S[*]
HC01609,"Uroporphyrinogen I",C40H36N4O16,-8,836.7946,836.2752314,C05766,440775,28766,HMDB0002211,"",,HC01609,FDB022910,389644,"CPD-11444",HC01609,"Uroporphyrinogen I",,cpd03414,MNXM165232,,6550,1867-62-5,,QTTNOSKSLATGQB-UHFFFAOYSA-F,"InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/p-8",[H]N1C2=C(C(=C1C([H])([H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C(=C(N1[H])C2([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
HC01651,"Formamidopyrimidine nucleoside triphosphate",C10H14N5O15P3,-4,541.1957,541.0012245,C05922,440840,58104,HMDB0006822,"",HC01651,,FDB024102,389682,"",HC01651,"",,cpd03518,MNXM53766,,NaN,,,NDXMRXXKCCKQQV-UUOKFMHZSA-N,"InChI=1S/C10H18N5O15P3/c11-10-14-7(4(12-2-16)8(19)15-10)13-9-6(18)5(17)3(28-9)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,12,16)(H,23,24)(H,25,26)(H2,20,21,22)(H4,11,13,14,15,19)/t3-,5-,6-,9-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])N([H])C1=C(N([H])C([H])=O)C(=O)N([H])C(=N1)N([H])[H]
HC01652,"2,5-Diaminopyrimidine nucleoside triphosphate",C9H14N5O14P3,-4,513.1856,513.0063098,C05923,440841,929,HMDB0006821,"",HC01652,,FDB024101,389683,"",HC01652,"",,cpd03519,MNXM2773,,NaN,,,CRXOALRUOMUPMC-UMMCILCDSA-J,"InChI=1S/C9H18N5O14P3/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(26-8)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2,4-5,8,15-16H,1,10H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,11,12,13,14,17)/p-4/t2-,4-,5-,8-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@]1([H])O[H])N([H])C1=C(N([H])[H])C(=O)N([H])C(=N1)N([H])[H]
HC01668,"Propinol adenylate",C13H17N5O8P,-1,403.2845,403.0892991,C05983,440863,62415,HMDB0006806,"",HC01668,HC01668,FDB024092,389700,"",HC01668,"",,cpd03560,MNXM163561,,NaN,,,ZGNGGJLVZZHLQM-ZRFIDHNTSA-N,"InChI=1S/C13H18N5O8P/c1-2-7(19)26-27(22,23)24-3-6-9(20)10(21)13(25-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H,22,23)(H2,14,15,16)/t6-,9-,10-,13-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP(=O)(O[H])OC(=O)C([H])([H])C([H])([H])[H])[C@@]1([H])O[H])N1C([H])=NC2=C1N=C([H])N=C2N([H])[H]
HC01672,"Acetyl adenylate",C12H15N5O8P,-1,389.2579,389.073649,C05993,440867,37666,HMDB0006880,"",HC01672,HC01672,FDB024132,389703,"ACETYL_AMP",HC01672,"",,,MNXM4377,,NaN,13015-87-7,DTXSID60156370,UBPVOHPZRZIJHM-GTBBIVDNSA-M,"InChI=1S/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)/p-1/t6-,8-,9-,12-/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OC(=O)C([H])([H])[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
HC01700,"gamma-Glutamyl-beta-aminopropiononitrile",C8H13N3O3,0,199.2071,199.0956913,C06114,440920,28092,HMDB0060477,"",,HC01700,,389750,"",HC01700,"",,cpd03646,MNXM8633,,NaN,,,VQPVVWAFTIFKDD-LURJTMIESA-N,"InChI=1S/C8H13N3O3/c9-4-1-5-11-7(12)3-2-6(10)8(13)14/h6H,1-3,5,10H2,(H,11,12)(H,13,14)/t6-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C#N
HC01710,"2,5-Diamino-6-(5'-triphosphoryl-3',4'-trihydroxy-2'-oxopentyl)-amino-4-oxopyrimidine",C9H14N5O14P3,-4,513.1856,513.0063098,C06148,440923,NaN,HMDB0006823,"",HC01710,,FDB024103,389753,"",HC01710,"",,cpd03666,MNXM4269,,NaN,,,ZJYBJXKSWQPKFW-UHFFFAOYSA-N,"InChI=1S/C9H18N5O14P3/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-26-30(22,23)28-31(24,25)27-29(19,20)21/h4,6,16-17H,1-2,10H2,(H,22,23)(H,24,25)(H2,19,20,21)(H4,11,12,13,14,18)",[H]OC([H])(C(=O)C([H])([H])N([H])C1=C(N([H])[H])C(=O)N([H])C(=N1)N([H])[H])C([H])(O[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])O[H]
HC01712,"S-Glutaryldihydrolipoamide",C13H22NO4S2,-1,321.456,321.1068496,C06157,11953879,28391,HMDB0006832,"",HC01712,HC01712,FDB024108,10128178,"",HC01712,"",,,MNXM81222,,NaN,,,PWTIHZUSTBSVGF-UHFFFAOYSA-M,"InChI=1S/C13H23NO4S2/c14-11(15)5-2-1-4-10(19)8-9-20-13(18)7-3-6-12(16)17/h10,19H,1-9H2,(H2,14,15)(H,16,17)/p-1",[H]SC([H])(C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[H]
HC01787,"Lepidimoide",X,0,0,0,C08241,NaN,NaN,,"",HC01787,,,NaN,"",HC01787,"",,,MNXM95193,,NaN,,,ZGUYXYAGTSSIIA-ZFXQZNNKSA-M,"InChI=1S/C12H18O10.Na/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18;/h2-4,6-9,11-16,19H,1H3,(H,17,18);/q;+1/p-1/t3-,4-,6-,7+,8+,9+,11?,12+;/m0./s1",[Na+].[H]OC1([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[C@@]1([H])OC(=C([H])[C@]([H])(O[H])[C@@]1([H])O[H])C([O-])=O
HC01797,"Activated Methyl Group",CH3X,0,0,0,C10905,NaN,NaN,,"",,,,NaN,"",HC01797,"",,,MNXM2964,,NaN,,,,"",[H]C([H])([H])[*]
HC01842,"Phosphodimethylethanolamine",C4H10NO4P,-2,169.1170044,169.0503949,C13482,151438,31997,,"",HC01842,HC01842,,NaN,"",HC01842,"",,,MNXM2261,,NaN,6909-62-2,DTXSID00219130,BLHVJAAEHMLMOI-UHFFFAOYSA-L,"InChI=1S/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)/p-2",[H]C([H])([H])N(C([H])([H])[H])C([H])([H])C([H])([H])OP([O-])([O-])=O
HC01852,"Fibrinogen",X,0,0,0,C00393,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC01939,"Haptoglobin",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC01942,"Plasminogen",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC01943,"Prothrombin",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC01944,"Apotransferin",X,0,0,0,C05780,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC01988,"Stearoyl-ACP",X,0,0,0,,NaN,NaN,,"",HC01988,,,NaN,"",,"",,cpd12458,,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)S[*]
HC02020,"CE(16:0)",C43H76O2,0,625.0623,624.5845317,C11251,246520,3663,HMDB0000885,"",HC02020,HC02020,FDB022299,215725,"Cholesterol-esters",HC02020,"",,,MNXM163779,,5844,601-34-3,DTXSID40889356,BBJQPKLGPMQWBU-JADYGXMDSA-N,"InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1",[H]C1=C2C([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]2([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
HC02021,"Cholest-5-En-3Beta-Yl (9Z-Hexadecenoate)",C43H74O2,-1,0,0,,NaN,NaN,,"",HC02021,HC02021,,NaN,"",HC02021,"",,,MNXM164676,,NaN,,,HODJWNWCVNUPAQ-QCNMZLESSA-N,"InChI=1S/C43H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h12-13,24,33-34,36-40H,7-11,14-23,25-32H2,1-6H3/b13-12-/t34-,36?,37+,38-,39+,40+,42+,43-/m0/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02022,"cholest-5-en-3beta-yl octadecanoate",C45H80O2,0,653.133,652.6158318,,118246,82750,HMDB0062461,"",HC02022,HC02022,,NaN,"",,"",,,,,NaN,35602-69-8,,XHRPOTDGOASDJS-XNTGVSEISA-N,"InChI=1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1",[H]C1=C2C([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]2([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
HC02023,"CE(18:1(9Z))",C45H78O2,0,651.117,650.6001818,C14641,5283632,46898,HMDB0000918,"",HC02023,HC02023,FDB022317,4446726,"Cholesterol-esters",HC02023,"",,,MNXM163778,,5872,303-43-5,,RJECHNNFRHZQKU-RMUVNZEASA-N,"InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
HC02024,"CE(18:2(9Z,12Z))",C45H76O2,0,649.101,648.5845317,C15441,5287939,41509,HMDB0000610,"",HC02024,HC02024,FDB022141,4450205,"Cholesterol-esters",HC02024,"",,,MNXM163777,,5584,604-33-1,DTXSID00889357,NAACPBBQTFFYQB-LJAITQKLSA-N,"InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
HC02025,"Cholest-5-En-3Beta-Yl (9Z,12Z,15Z-Octadecatrienoate)",C45H74O2,0,0,0,,NaN,NaN,,"",HC02025,HC02025,,NaN,"",HC02025,"",,,MNXM164674,,NaN,,,FYMCIBHUFSIWCE-IPXAICNQSA-N,"InChI=1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h8-9,11-12,14-15,26,35-36,38-42H,7,10,13,16-25,27-34H2,1-6H3/b9-8-,12-11-,15-14-/t36-,38?,39+,40-,41+,42+,44+,45-/m0/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
HC02026,"Cholesterol-Ester-Gamma-Lin",C45H74O2,0,0,0,,NaN,NaN,,"",HC02026,HC02026,,NaN,"",HC02026,"",,,MNXM164675,,NaN,,,,"",
HC02027,"Cholest-5-En-3Beta-Yl (5Z,8Z,11Z,14Z-Eicosatetraenoate)",C47H76O2,0,0,0,,NaN,NaN,,"",HC02027,HC02027,,NaN,"",HC02027,"",,,MNXM163776,,NaN,,,IMXSFYNMSOULQS-HGISDRLNSA-N,"InChI=1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/b12-11-,15-14-,18-17?,21-20-/t38-,40?,41+,42-,43+,44+,46+,47-/m0/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02029,"1-Hexadecanoyl-Sn-Glycero-3-Phosphate",C19H37O7P,-2,0,0,,NaN,NaN,,"",HC02029,,,NaN,"",,"",,,,,NaN,,,YNDYKPRNFWPPFU-SFHVURJKSA-N,"InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m0/s1",[H]O[C@@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
HC02030,"1-(9Z-Hexadecenoyl)-Glycero-3-Phosphate",C19H35O7P,-2,0,0,,NaN,NaN,,"",HC02030,,,NaN,"",,"",,,,,NaN,,,GLGQZYWTNAOWHT-FPLPWBNLSA-N,"InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h7-8,18,20H,2-6,9-17H2,1H3,(H2,22,23,24)/b8-7-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
HC02031,"1-Octadecanoyl-Sn-Glycero-3-Phosphate",C21H41O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LAYXSTYJRSVXIH-FQEVSTJZSA-N,"InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)/t20-/m0/s1",[H]O[C@@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
HC02032,"1-(9Z-Octadecenoyl)-Sn-Glycero-3-Phosphate",C21H39O7P,-2,0,0,,NaN,NaN,,"",HC02032,,,NaN,"",,"",,,,,NaN,,,WRGQSWVCFNIUNZ-KTKRTIGZSA-L,"InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/p-2/b10-9-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP([O-])([O-])=O
HC02033,"1-(9Z,12Z-Octadecadienoyl)-Glycero-3-Phosphate",C21H37O7P,-2,0,0,,NaN,NaN,,"",HC02033,,,NaN,"",,"",,,,,NaN,,,ZQTAMPRZFOOEEP-GSNKCQISSA-N,"InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-/t20-/m0/s1",[H]O[C@@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
HC02036,"1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-Sn-Glycero-3-Phosphate",C23H37O7P,-2,0,0,,NaN,NaN,,"",HC02036,,,NaN,"",,"",,,,,NaN,,,XBFQFMCUPHZKTI-HUDVFFLJSA-N,"InChI=1S/C23H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h6-7,9-10,12-13,15-16,22,24H,2-5,8,11,14,17-21H2,1H3,(H2,26,27,28)/b7-6-,10-9-,13-12-,16-15-/t22-/m0/s1",[H]O[C@@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
HC02038,"1-Acylglycerol-3P-Ld-Pc-Pool",C4H6O7PR,-2,0,0,C00681,NaN,16975,,"1-acyl-sn-glycerol 3-phosphate",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@]([H])(C([H])([H])OC([*])=O)C([H])([H])OP(=O)(O[H])O[H]
HC02039,"1-Acylglycerol-3P-Ld-Pe-Pool",C4H6O7PR,-2,0,0,C00681,NaN,16975,,"1-acyl-sn-glycerol 3-phosphate",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@]([H])(C([H])([H])OC([*])=O)C([H])([H])OP(=O)(O[H])O[H]
HC02040,"1-Acylglycerol-3P-Ld-Ps-Pool",C4H6O7PR,-2,0,0,C00681,NaN,16975,,"1-acyl-sn-glycerol 3-phosphate",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@]([H])(C([H])([H])OC([*])=O)C([H])([H])OP(=O)(O[H])O[H]
HC02041,"1-Acylglycerol-3P-Ld-Pi-Pool",C4H6O7PR,-2,0,0,C00681,NaN,16975,,"1-acyl-sn-glycerol 3-phosphate",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@]([H])(C([H])([H])OC([*])=O)C([H])([H])OP(=O)(O[H])O[H]
HC02042,"1-Acylglycerol-3P-Ld-Sm-Pool",C4H6O7PR,-2,0,0,C00681,NaN,16975,,"1-acyl-sn-glycerol 3-phosphate",,HC02042,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@]([H])(C([H])([H])OC([*])=O)C([H])([H])OP(=O)(O[H])O[H]
HC02043,"Acyl Coenzyme A-Ld-Tg2-Pool",C22H31N7O17P3SR,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC02044,"Acyl Coenzyme A-Ld-Pc-Pool",C22H31N7O17P3SR,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC02045,"Acyl Coenzyme A-Ld-Pe-Pool",C22H31N7O17P3SR,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC02046,"Acyl Coenzyme A-Ld-Ps-Pool",C22H31N7O17P3SR,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC02047,"Acyl Coenzyme A-Ld-Pi-Pool",C22H31N7O17P3SR,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC02048,"Acyl Coenzyme A-Ld-Sm-Pool",C22H31N7O17P3SR,-4,0,0,,NaN,NaN,,"",,HC02048,,NaN,"",,"",,,,,NaN,,,,"",
HC02050,"Phosphatidate-Ld-Pc-Pool",C5H5O8PR2,-2,0,0,C00416,NaN,16337,,"",,HC02050,,NaN,"",,"",,,,,5644,,,,"",[H]OP(=O)(O[H])OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
HC02051,"Phosphatidate-Ld-Pe-Pool",C5H5O8PR2,-2,0,0,C00416,NaN,16337,,"",,HC02051,,NaN,"",,"",,,,,5644,,,,"",[H]OP(=O)(O[H])OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
HC02052,"Phosphatidate-Ld-Ps-Pool",C5H5O8PR2,-2,0,0,C00416,NaN,16337,,"",,,,NaN,"",,"",,,,,5644,,,,"",[H]OP(=O)(O[H])OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
HC02053,"Phosphatidate-Ld-Pi-Pool",C5H5O8PR2,-2,0,0,C00416,NaN,16337,,"",,,,NaN,"",,"",,,,,5644,,,,"",[H]OP(=O)(O[H])OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
HC02054,"Phosphatidate-Ld-Sm-Pool",C5H5O8PR2,-2,0,0,C00416,NaN,16337,,"",,HC02054,,NaN,"",,"",,,,,5644,,,,"",[H]OP(=O)(O[H])OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
HC02056,"1,2-Diacylglycerol-Ld-Pc-Pool",C5H6O5R2,0,0,0,C00641,NaN,17815,,"1,2-diacyl-sn-glycerol",,HC02056,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
HC02057,"1,2-Diacylglycerol-Ld-Pe-Pool",C5H6O5R2,0,0,0,C00641,NaN,17815,,"1,2-diacyl-sn-glycerol",,HC02057,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
HC02058,"1,2-Diacylglycerol-Ld-Ps-Pool",C5H6O5R2,0,0,0,C00641,NaN,17815,,"1,2-diacyl-sn-glycerol",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
HC02059,"1,2-Diacylglycerol-Ld-Pi-Pool",C5H6O5R2,0,0,0,C00641,NaN,17815,,"1,2-diacyl-sn-glycerol",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
HC02060,"1,2-Diacylglycerol-Ld-Sm-Pool",C5H6O5R2,0,0,0,C00641,NaN,17815,,"1,2-diacyl-sn-glycerol",,HC02060,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
HC02061,"Acyl Coenzyme A-Ld-Tg3-Pool",C22H31N7O17P3SR,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC02063,"Fatty-Acid-Ld-Tg3-Pool",CHO2R,0,0,0,C00162,NaN,35366,,"fatty acid;fatty acids",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([*])=O
HC02064,"Fatty-Acid-Ld-Tg2-Pool",CHO2R,0,0,0,C00162,NaN,35366,,"fatty acid;fatty acids",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([*])=O
HC02065,"Fatty-Acid-Ld-Tg1-Pool",CHO2R,0,0,0,C00162,NaN,35366,,"fatty acid;fatty acids",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([*])=O
HC02066,"Fatty-Acid-Ld-Pc-Pool",CHO2R,0,0,0,C00162,NaN,35366,,"fatty acid;fatty acids",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([*])=O
HC02067,"Fatty-Acid-Ld-Pe-Pool",CHO2R,0,0,0,C00162,NaN,35366,,"fatty acid;fatty acids",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([*])=O
HC02068,"Fatty-Acid-Ld-Ps-Pool",CHO2R,0,0,0,C00162,NaN,35366,,"fatty acid;fatty acids",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([*])=O
HC02069,"Fatty-Acid-Ld-Pi-Pool",CHO2R,0,0,0,C00162,NaN,35366,,"fatty acid;fatty acids",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([*])=O
HC02070,"Fatty-Acid-Ld-Sm-Pool",CHO2R,0,0,0,C00162,NaN,35366,,"fatty acid;fatty acids",,HC02070,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([*])=O
HC02071,"1-Acylglycerol-Ld-Tg1-Pool",C4H7O4R,0,0,0,C01885,NaN,17408,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(O[H])C([H])([H])OC([*])=O
HC02072,"1-Acylglycerol-Ld-Pc-Pool",C4H7O4R,0,0,0,C01885,NaN,17408,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(O[H])C([H])([H])OC([*])=O
HC02073,"1-Acylglycerol-Ld-Pe-Pool",C4H7O4R,0,0,0,C01885,NaN,17408,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(O[H])C([H])([H])OC([*])=O
HC02074,"1-Acylglycerol-Ld-Ps-Pool",C4H7O4R,0,0,0,C01885,NaN,17408,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(O[H])C([H])([H])OC([*])=O
HC02075,"1-Acylglycerol-Ld-Pi-Pool",C4H7O4R,0,0,0,C01885,NaN,17408,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(O[H])C([H])([H])OC([*])=O
HC02076,"1-Acylglycerol-Ld-Sm-Pool",C4H7O4R,0,0,0,C01885,NaN,17408,,"",,HC02076,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(O[H])C([H])([H])OC([*])=O
HC02079,"Pe-Ps-Ld-Pool",C7H12NO8PR2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC02080,"Bile-Pc-Pool",C10H19NO8PR2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC02082,"Acyl Coenzyme A-Bile-Pc-Pool",C22H31N7O17P3SR,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC02084,"1-Acylglycerol-3P-Bile-Pc-Pool",C4H6O7PR,-2,0,0,C00681,NaN,16975,,"1-acyl-sn-glycerol 3-phosphate",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@]([H])(C([H])([H])OC([*])=O)C([H])([H])OP(=O)(O[H])O[H]
HC02085,"1,2-Diacylglycerol-Bile-Pc-Pool",C5H6O5R2,0,0,0,C00641,NaN,17815,,"1,2-diacyl-sn-glycerol",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
HC02086,"PA(16:0/16:0)",C5H5O8PR2,-2,648.903,648.4730062,C00416,446066,NaN,HMDB0000674,"",,,FDB022175,393518,"",,"",,,,,5644,7091-44-3,,PORPENFLTBBHSG-MGBGTMOVSA-N,"",[H]OP(=O)(O[H])OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
HC02089,"Acyl Coenzyme A-Cl-Pool",C22H31N7O17P3SR,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC02091,"1-Acylglycerol-3P-Cl-Pool",C4H6O7PR,-2,0,0,C00681,NaN,16975,,"1-acyl-sn-glycerol 3-phosphate",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@]([H])(C([H])([H])OC([*])=O)C([H])([H])OP(=O)(O[H])O[H]
HC02093,"Phosphatidate-Cl-Pool",C5H5O8PR2,-2,0,0,C00416,NaN,16337,,"",,,,NaN,"",,"",,,,,5644,,,,"",[H]OP(=O)(O[H])OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
HC02094,"Cytidine-5'-Diphosphate-Diacylglycerol-Cl-Pool",C14H17N3O15P2R2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC02097,"3-Oxostearoyl-ACP",X,0,0,0,,NaN,NaN,,"",HC02097,,,NaN,"",,"",,cpd14938,,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C(=O)S[*]
HC02098,"3-Hydroxystearoyl-ACP",C18H35O2SR,0,0,0,,NaN,NaN,,"",HC02098,,,NaN,"",,"",,cpd14939,,,NaN,,,,"",[H]O[C@@]([H])(C([H])([H])C(=O)S[*])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02099,"(2E)-Octadecenoyl-ACP",C18H33OSR,0,0,0,,NaN,NaN,,"",HC02099,,,NaN,"",,"",,cpd14940,,,NaN,,,,"",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)S[*]
HC02110,"4a-Methylzymosterol",C28H46O,0,398.6642,398.3548661,C05103,22212495,1949,HMDB0001217,"",HC02110,HC02110,FDB022496,20036827,"4-METHYL-824-CHOLESTADIENOL",,"",,,,,6087,,,FOUJWBXBKVVHCJ-YIJYGBTNSA-N,"InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24+,26+,27-,28+/m1/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C3=C(C([H])([H])C([H])([H])[C@@]2([H])[C@]1([H])C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])[H]
HC02111,"Adenosine triphosphate",X,0,507.181,506.9957452,C00002,5957,15422,HMDB0000538,"",,,FDB021813,5742,"ATP",HC02111,"Adenosine triphosphate",DB00171,,MNXM164571,C00001491,5523,56-65-5,DTXSID6022559,ZKHQWZAMYRWXGA-KQYNXXCUSA-N,"InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1",[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=NC2=C1N=C([H])N=C2N([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])O[H]
HC02112,"NADH",X,0,665.441,665.1247717,C00004,928,16908,HMDB0001487,"",,,FDB022649,903,"NADH",HC02112,"NADH",DB00157,,MNXM163520,C00019343,3687,58-68-4,DTXSID30889320,BOPGDPNILDQYTO-NNYOXOHSSA-N,"InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C([H])([H])C(=C3[H])C(=O)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=NC2=C1N=C([H])N=C2N([H])[H]
HC02113,"Nadph-Redox-Potential",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",HC02113,"",,,MNXM163521,,NaN,,,ACFIXJIJDZMPPO-NNYOXOHSSA-N,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C3N=C([H])N=C4N([H])[H])[C@]([H])(OP(=O)(O[H])O[H])[C@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C([H])([H])C(=C1[H])C(=O)N([H])[H]
HC02114,"FADH",X,0,787.5656,787.1727845,C01352,446013,17877,HMDB0001197,"",,,FDB022483,393487,"FADH2",HC02114,"FADH",DB03147,,MNXM167729,,6073,1910-41-4,,YPZRHBJKEMOYQH-UYBVJOGSSA-N,"InChI=1S/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1",[H]O[C@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])N1C2=C(N([H])C3=C1C([H])=C(C(=C3[H])C([H])([H])[H])C([H])([H])[H])C(=O)N([H])C(=O)N2[H]
HC02115,"Proton-Gradient",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GPRLSGONYQIRFK-FTGQXOHASA-N,"InChI=1S/p+1/i/hH",[1H+]
HC02116,"Activated-Sulphur",X,0,0,0,,NaN,NaN,,"",HC02116,,,NaN,"",HC02116,"",,,MNXM166880,,NaN,,,,"",
HC02119,"S-Adenosylmethioninamine",X,0,355.436,355.1552343,C01137,439415,15625,HMDB0000988,"",HC02119,,FDB022353,388529,"S-ADENOSYLMETHIONINAMINE",HC02119,"S-Adenosylmethioninamine",,,MNXM166890,,3501,22365-13-5,,ZUNBITIXDCPNSD-LSRJEVITSA-N,"InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/t8-,10-,11-,14-,24?/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])[S+](C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])[C@@]1([H])O[H])N1C([H])=NC2=C1N=C([H])N=C2N([H])[H]
HC02121,"S-(Hydroxymethyl)glutathione",C11H18N3O7S,-1,337.349,337.0943707,C14180,447123,48926,HMDB0004662,"",,HC02121,FDB023393,394301,"S-HYDROXYMETHYLGLUTATHIONE",HC02121,"",,,MNXM165122,,7068,32260-87-0,,PIUSLWSYOYFRFR-BQBZGAKWSA-M,"InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/p-1/t6-,7-/m0/s1",[H]OC([H])([H])SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O
HC02136,"Glycogenin-G7G1",C48H81O41X,0,0,0,,NaN,NaN,,"",HC02136,HC02136,,NaN,"",HC02136,"",,,MNXM164816,,NaN,,,,"",
HC02154,"Gm4-Pool",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",HC02154,"",,,MNXM164821,,NaN,,,,"",
HC02160,"Ganglioside GM2 (d18:1/12:0)",X,0,1300.5227,1299.729931,C04884,20057332,NaN,HMDB0004936,"",,HC02160,FDB023524,16744922,"CPD-1100",HC02160,"",,,MNXM164819,,7189,104443-57-4,,UBCMQDIOEUZUPT-XYXKSNPQSA-N,"",[H]OC(=O)[C@]1(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]3([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])O[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H]
HC02161,"Gm1-Pool",X,0,0,0,C04911,NaN,18216,HMDB00117,"",,HC02161,,NaN,"",HC02161,"",,,MNXM164818,,NaN,,,,"",[H]OC(=O)[C@]1(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]3([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])O[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H]
HC02180,"Thromboxane B2",C20H33O6,-1,370.4804,370.2355388,C05963,5283137,28728,HMDB0003252,"",,HC02180,FDB023130,4446261,"",HC02180,"Thromboxane B2",,,MNXM87150,,422,54397-85-2,,XNRNNGPBEPRNAR-XKHPYWLKSA-M,"InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/p-1/b7-4+,13-12?/t15-,16-,17-,18+,20?/m0/s1",[H]O[C@]([H])(C([H])=C([H])[C@@]1([H])OC([H])(O[H])C([H])([H])[C@]([H])(O[H])[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02187,"Reverse-triiodthyronine",C15H12I3NO4,0,650.9735,650.7900381,,NaN,28774,HMDB0060074,"",,HC02187,,NaN,"",HC02187,"",,,MNXM690,,NaN,,,HZCBWYNLGPIQRK-UHFFFAOYSA-N,"InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)",[H]OC1=C(I)C([H])=C(OC2=C(I)C([H])=C(C([H])=C2[H])C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H])C([H])=C1I
HC02191,"Lithocholic acid",C24H39O3,-1,376.5726,376.2977451,C03990,11740284,16325,HMDB0000761,"",HC02191,HC02191,FDB022230,9914991,"",HC02191,"Lithocholic_acid",,,MNXM886,C00051298,209,434-13-9,DTXSID6020779,SMEROWZSTRWXGI-HVATVPOCSA-M,"InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/p-1/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]23[H])C1([H])[H]
HC02192,"Lithocholyltaurine",C26H44NO5S,-1,483.704,483.3018442,C02592,53477716,36259,HMDB0000722,"",HC02192,HC02192,FDB022203,NaN,"TAUROLITHOCHOLATE",HC02192,"",,,MNXM2868,,5690,516-90-5,,QBYUNVOYXHFVKC-GBURMNQMSA-M,"InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S([O-])(=O)=O)[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]23[H])C1([H])[H]
HC02193,"Lithocholic acid glycine conjugate",C26H42NO4,-1,433.6239,433.3192089,C15557,115245,37998,HMDB0000698,"",HC02193,HC02193,FDB022187,103116,"",HC02193,"",,,MNXM4602,,5666,474-74-8,,XBSQTYHEGZTYJE-OETIFKLTSA-M,"InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/p-1/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([O-])=O)[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]23[H])C1([H])[H]
HC02194,"Ursodeoxycholic acid",C24H39O4,-1,392.572,392.2926598,C07880,31401,9907,HMDB0000946,"",,HC02194,FDB022332,29131,"",HC02194,"Ursodeoxycholic acid",DB01586,,MNXM146506,C00032464,5893,128-13-2,DTXSID6023731,RUDATBOHQWOJDD-ZAXPUSGHSA-M,"InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15?,16-,17?,18?,19?,20+,22?,23+,24-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])(C1([H])[H])C([H])([H])[C@]([H])(O[H])C1([H])C3([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])C21[H]
HC02195,"Tauroursodeoxycholate",C26H45NO6S,0,0,0,,NaN,NaN,,"",,HC02195,,NaN,"",HC02195,"",,,MNXM162420,,NaN,,,BHTRKEVKTKCXOH-LBSADWJPSA-N,"InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C1([H])[H])C([H])([H])[C@]([H])(O[H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S(=O)(=O)O[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
HC02196,"Glycoursodeoxycholic acid",C26H43NO5,0,449.6233,449.3141235,,12310288,542261,HMDB0000708,"",,HC02196,FDB022194,19973534,"",HC02196,"",,,MNXM162410,,5676,64480-66-6,,GHCZAUBVMUEKKP-XROMFQGDSA-N,"InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1",[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
HC02197,"Sulfolithocholylglycine",C26H41NO7S,-2,513.687,513.2760234,C11301,53477756,NaN,HMDB0002639,"",,HC02197,FDB023034,NaN,"",HC02197,"",,,MNXM4834,,6725,15324-64-8,,FHXBAFXQVZOILS-OETIFKLTSA-L,"InChI=1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/p-2/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1",[H]N(C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(OS([O-])(=O)=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C([H])([H])C([O-])=O
HC02198,"Taurolithocholic acid 3-sulfate",C26H43NO8S2,-2,563.767,563.2586588,C03642,440071,17864,HMDB0002580,"",,HC02198,FDB023028,389078,"TAUROLITHOCHOLATE-SULFATE",HC02198,"",,,MNXM162796,,6716,15324-65-9,,HSNPMXROZIQAQD-GBURMNQMSA-L,"InChI=1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/p-2/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1",[H]N(C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(OS([O-])(=O)=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C([H])([H])C([H])([H])S([O-])(=O)=O
HC02199,"Glutathionyl-Leuc4",X,0,0,0,,NaN,NaN,,"",HC02199,HC02199,,NaN,"",HC02199,"",,,MNXM162246,,NaN,,,,"",
HC02200,"1-(S-Glutathionyl)-2,4-Dinitrobenzene",C16H17N5O10S,-2,0,0,,NaN,NaN,,"",HC02200,HC02200,,NaN,"",HC02200,"",,,MNXM162247,,NaN,,,FXEUKVKGTKDDIQ-UWVGGRQHSA-L,"InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/p-2/t9-,10-/m0/s1",[H]N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C([H])([H])SC1=C(C([H])=C(C([H])=C1[H])[N+]([O-])=O)[N+]([O-])=O)C([H])([H])C([O-])=O
HC02201,"S-Glutathionyl-Ethacrynic-Acid",C23H25Cl2N3O9S,-2,0,0,,NaN,NaN,,"",HC02201,HC02201,,NaN,"",HC02201,"",,,MNXM162248,,NaN,,,BIJQYNCUDQBFTN-KBPBESRZSA-L,"InChI=1S/C23H27Cl2N3O9S/c1-3-11(2)21(33)12-4-6-15(20(25)19(12)24)37-9-18(32)38-10-14(22(34)27-8-17(30)31)28-16(29)7-5-13(26)23(35)36/h4,6,13-14H,2-3,5,7-10,26H2,1H3,(H,27,34)(H,28,29)(H,30,31)(H,35,36)/p-2/t13-,14-/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC(=O)C([H])([H])OC1=C(Cl)C(Cl)=C(C([H])=C1[H])C(=O)C(=C([H])[H])C([H])([H])C([H])([H])[H]
HC02202,"Prostaglandin A1",C20H31O4,-1,336.4657,336.2300595,C04685,5281912,15545,HMDB0002656,"",,HC02202,FDB023040,4445196,"CPD-1911",HC02202,"",,,MNXM4788,,407,14152-28-4,,BGKHCLZFGPIKKU-LDDQNKHRSA-M,"InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/p-1/b14-12+/t16-,17-,18+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])C([H])=C([H])C(=O)[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02203,"Prostaglandin A2",C20H29O4,-1,334.4498,334.2144094,C05953,5280880,27820,HMDB0002752,"",HC02203,HC02203,FDB023060,4444403,"",HC02203,"",,,MNXM7702,,3465,13345-50-1,,MYHXHCUNDDAEOZ-FOSBLDSVSA-M,"InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/p-1/b7-4-,14-12+/t16-,17-,18+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])C([H])=C([H])C(=O)[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02204,"Prostaglandin B1",C20H31O4,-1,336.4657,336.2300595,C00959,5280388,27624,HMDB0002982,"",,HC02204,FDB023088,4444076,"",HC02204,"",,,MNXM78287,,408,13345-51-2,,YBHMPNRDOVPQIN-VSOYFRJCSA-M,"InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/p-1/b14-12+/t17-/m0/s1",[H]O[C@]([H])(C([H])=C([H])C1=C(C(=O)C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02205,"Prostaglandin B2",C20H29O4,-1,334.4498,334.2144094,C05954,5288144,28099,HMDB0004236,"",HC02205,HC02205,FDB023342,4450370,"",HC02205,"",,,MNXM12766,,NaN,13367-85-6,,PRFXRIUZNKLRHM-HKVRTXJWSA-M,"InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/p-1/b7-4-,14-12+/t17-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])C1=C(C(=O)C([H])([H])C1([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02206,"Prostaglandin C1",C20H31O4,-1,336.4657,336.2300595,C04686,5280715,15546,HMDB0060104,"",,HC02206,,4444299,"",HC02206,"",,,MNXM4789,,NaN,,,PUIBPGHAXSCVRF-QHFGJBOXSA-M,"InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-14,17-18,21H,2-11,15H2,1H3,(H,23,24)/p-1/b14-12+/t17-,18+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])C1=C([H])C([H])([H])C(=O)[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02207,"Prostaglandin-c2",C20H29O4,-1,334.4498,334.2144094,C05955,5280882,27555,HMDB0060095,"",HC02207,HC02207,,4444405,"",HC02207,"",,,MNXM7703,,NaN,,,CMBOTAQMTNMTBD-KLASNZEFSA-M,"InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-14,17-18,21H,2-3,5-6,8-11,15H2,1H3,(H,23,24)/p-1/b7-4-,14-12+/t17-,18+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])C1=C([H])C([H])([H])C(=O)[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02208,"Prostaglandin D1",C20H33O5,-1,354.481,354.2406242,C06438,5280936,27696,HMDB0005102,"",,,FDB023631,4444438,"",HC02208,"",,,MNXM78290,,NaN,17968-82-0,,CIMMACURCPXICP-PNQRDDRVSA-M,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/p-1/b13-12+/t15-,16+,17+,18-/m0/s1",[H]O[C@]([H])(C([H])=C([H])[C@@]1([H])C(=O)C([H])([H])[C@]([H])(O[H])[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02210,"Prostaglandin D3",C20H29O5,-1,350.4492,350.2093241,C13802,5282260,34939,HMDB0003034,"",,,FDB023097,4445434,"",HC02210,"",,,MNXM78292,,2560,71902-47-1,,ANOICLBSJIMQTA-WXGBOJPQSA-M,"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/p-1/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])C(=O)C([H])([H])[C@]([H])(O[H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
HC02213,"Prostaglandin E3",C20H29O5,-1,350.4492,350.2093241,C06439,5280937,28031,HMDB0002664,"",,HC02213,FDB023042,4444439,"",HC02213,"",,,MNXM78294,,3494,802-31-3,,CBOMORHDRONZRN-QLOYDKTKSA-M,"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h3-4,6-7,12-13,15-17,19,21,23H,2,5,8-11,14H2,1H3,(H,24,25)/p-1/b6-3-,7-4-,13-12+/t15-,16+,17+,19+/m0/s1",[H]O[C@]([H])(C([H])=C([H])[C@@]1([H])[C@]([H])(O[H])C([H])([H])C(=O)[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
HC02214,"Prostaglandin F1a",C20H35O5,-1,356.4968,356.2562743,C06475,5280939,28852,HMDB0002685,"",,,FDB023044,4444441,"",HC02214,"",,,MNXM78295,,3503,745-62-0,,DZUXGQBLFALXCR-CDIPTNKSSA-M,"InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/p-1/b13-12+/t15-,16+,17+,18-,19+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02216,"Prostaglandin F2b",C20H33O5,-1,354.481,354.2406242,C02314,5280506,28922,HMDB0001483,"",,,FDB022647,4444144,"CPD-8348",HC02216,"",,,MNXM78297,,NaN,4510-16-1,,PXGPLTODNUVGFL-PTTZIUQESA-M,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4+,13-12+/t15-,16+,17+,18+,19+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02217,"Prostaglandin G2",C20H31O6,-1,368.4645,368.2198888,C05956,5280883,27647,HMDB0003235,"prostaglandin G2",,HC02217,FDB023127,4444406,"",HC02217,"Prostaglandin_G2",,,MNXM1337,,3508,51982-36-6,,SGUKUZOVHSFKPH-YNNPMVKQSA-M,"InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/p-1/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",[H]OO[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])[C@]2([H])OO[C@@]([H])(C2([H])[H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC02220,"Sulfochenodeoxycholate",C24H38O7S,-2,0,0,,NaN,NaN,,"",,HC02220,,NaN,"",HC02220,"",,,MNXM163000,,NaN,,,WHMOBEGYTDWMIG-HEGLNSLBSA-N,"InChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(31-32(28,29)30)12-15(23)13-20(22)25/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15+,16-,17-,18+,19+,20?,22+,23+,24-/m1/s1",[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(OS(=O)(=O)O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
HC02222,"Mitoapo-ACP",X,0,0,0,C03688,NaN,NaN,,"",HC02222,,,NaN,"",,"",,,,,NaN,,,,"",
HC02223,"Mito-ACP",X,0,0,0,C03688,NaN,NaN,,"",HC02223,,,NaN,"",,"",,,,,NaN,,,,"",
HC02228,"Hexadecenal",C16H30O,0,0,0,C06123,NaN,NaN,,"",HC02228,HC02228,,NaN,"",HC02228,"",,,MNXM149061,,NaN,,,KLJFYXOVGVXZKT-UHFFFAOYSA-N,"InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h14-16H,2-13H2,1H3",[H]C(=O)C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
HC10695,"Cis-Laur-5-Enoyl Coenzyme A",C33H52N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,RCVJZGBRLGUTKT-HTMDDOFJSA-J,"InChI=1S/C33H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h9-10,20-22,26-28,32,43-44H,4-8,11-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b10-9-/t22?,26?,27?,28?,32-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
HC10782,"3-Oxomyrist-7-Enoyl Coenzyme A",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC10784,"Cis-Myrist-7-Enoyl Coenzyme A",C35H56O17P3SN7,-4,0,0,,NaN,NaN,,"",,HC10784,,NaN,"",,"",,,,,NaN,,,,"",
HC10853,"3-Oxopalmitoleoyl Coenzyme A",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
HC10856,"Trans,Cis-Octadeca-2,9-Dienoyl Coenzyme A",C39H62N7O17P3S,-4,0,0,,NaN,NaN,,"",HC10856,HC10856,,NaN,"",,"",,,,,NaN,,,REOYMONHGHULEY-PPSVNWDXSA-J,"InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,18-19,26-28,32-34,38,49-50H,4-10,13-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b12-11-,19-18+/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
HC10857,"(S)-3-Hydroxyoleyleoyl Coenzyme A",C39H64N7O18P3S,-4,0,0,,NaN,NaN,,"",HC10857,HC10857,,NaN,"",,"",,,,,NaN,,,LHAYYTCFPMUQNR-DFXYPYGHSA-J,"InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h11-12,25-28,32-34,38,47,50-51H,4-10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b12-11-/t27-,28+,32+,33+,34-,38+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
HC10858,"3-Oxooleoyl Coenzyme A",C39H62N7O18P3S,-4,0,0,,NaN,NaN,,"",HC10858,HC10858,,NaN,"",,"",,,,,NaN,,,AIBRRZPWIUCLCH-DJVIHCHSSA-J,"InChI=1S/C26H38N7O18P3S/c1-26(2,20(36)23(37)29-5-3-16(34)28-6-8-55-25(38)14-4-7-46-9-14)11-48-54(44,45)51-53(42,43)47-10-15-19(50-52(39,40)41)18(35)24(49-15)33-13-32-17-21(27)30-12-31-22(17)33/h4,7,9,12-13,15,18-20,24,35-36H,3,5-6,8,10-11H2,1-2H3,(H,28,34)(H,29,37)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,18-,19-,20+,24-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C1=C([H])OC([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
HC10859,"Malonylcarnitine",C10H17NO6,-2,247.2451,247.1055873,,22833583,86047,HMDB0002095,"",HC10859,HC10859,FDB022843,17216162,"",HC10859,"",,,MNXM162761,,6484,853728-01-5,,ZGNBLKBZJBJFDG-SSDOTTSWSA-N,"InChI=1S/C10H17NO6/c1-11(2,3)6-7(4-8(12)13)17-10(16)5-9(14)15/h7H,4-6H2,1-3H3,(H-,12,13,14,15)/t7-/m1/s1",[H]OC(=O)C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
HC12594,"Trans,Cis-Myristo-2,7-Dienoyl Coenzyme A",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hca24g,"Hyocholic acid-24glucuronide, HCA-24G",C30H47O11,-1,0,0,,NaN,NaN,,"",,hca24g,,NaN,"",,"",,,,,NaN,,,,"",
hca6g,"Hyocholic acid-6glucuronide, HCA-6G",C30H47O11,-1,0,0,,NaN,NaN,,"",,hca6g,,NaN,"",,"",,,,,NaN,,,,"",
hcit,"Homocitric acid",C7H7O7,-3,206.1501,206.0426527,C01251,439459,52222,HMDB0003518,"",,,FDB023186,388564,"HOMO-CIT",hcit,"Homocitrate",,cpd00919,MNXM5782,,6943,3562-74-1,,XKJVEVRQMLKSMO-SSDOTTSWSA-N,"InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)",
hco3,"Hydrogen carbonate",CHO3,-1,61.0168,60.9925689,C00288,769,17544,HMDB0000595,"hydrogencarbonate",hco3,hco3,FDB022134,749,"HCO3",hco3,"Bicarbonate",,cpd00242,MNXM60,,NaN,71-52-3,DTXSID2049921,BVKZGUZCCUSVTD-UHFFFAOYSA-M,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1",[H]OC([O-])=O
hcoumarin,"Umbelliferone",C9H6O3,0,162.144,162.0316941,C09315,5281426,27510,HMDB0029865,"",hcoumarin,hcoumarin,FDB001094,4444774,"",hcoumarin,"Umbelliferone",,,MNXM11839,C00002503,NaN,93-35-6,DTXSID5052626,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",[H]OC1=C([H])C([H])=C2C([H])=C([H])C(=O)OC2=C1[H]
hcys_L,"Homocysteine",C4H9NO2S,0,135.185,135.0353992,C00155,778,17230,HMDB0000742,"",hcys_L,hcys_L,FDB001491,757,"HOMO-CYS",hcys__L,"Homocysteine",DBMET00508,cpd00135,MNXM123,C00001365,3256,454-29-5,DTXSID3041039,FFFHZYDWPBMWHY-VKHMYHEASA-N,"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1",[H]SC([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
hdca,"Palmitic acid",C16H31O2,-1,256.4241,256.2402303,C00249,985,15756,HMDB0000220,"",hdca,hdca,FDB011679,960,"CPD-8475",hdca,"Palmitic acid",,cpd00214,MNXM108,C00030479,187,57-10-3,DTXSID2021602,IPCSVZSSVZVIGE-UHFFFAOYSA-M,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
hdca24g,"Hyodeoxycholic acid-24glucuronide, HDCA-24G",C30H47O10,-1,0,0,,NaN,NaN,,"",,hdca24g,,NaN,"",,"",,,,,NaN,,,,"",
hdca6g,"Hyodeoxycholic acid-6glucuronide, HDCA-6G",C30H47O10,-1,0,0,,NaN,NaN,,"",,hdca6g,,NaN,"",,"",,,,,NaN,,,,"",
hdcea,"Palmitoleic acid",C16H29O2,-1,254.4082,254.2245802,C08362,445638,28716,HMDB0003229,"",hdcea,hdcea,FDB011675,393216,"CPD-724",hdcea,"Palmitoleic acid",,cpd15237,MNXM950,C00029354,188,373-49-9,DTXSID0041197,SECPZKHBENQXJG-FPLPWBNLSA-M,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/p-1/b8-7-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
hdcecrn,"Palmitoleoyl-Carnitine",C23H43NO4,0,0,0,,11953816,NaN,,"",hdcecrn,hdcecrn,,NaN,"",hdcecrn,"",,,MNXM8716,,NaN,,,JFAGPSOZZSTLRF-KUFMOJEASA-N,"InChI=1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h10-11,21H,5-9,12-20H2,1-4H3/b11-10-/t21-/m1/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
hdcoa,"Palmitoleyl CoA",C37H60N7O17P3S,-4,1003.927,1003.329224,,53477852,NaN,HMDB0006532,"",hdcoa,hdcoa,FDB023962,NaN,"",hdcoa,"",,cpd15238,MNXM90167,,NaN,18198-76-0,,QBYOCCWNZAOZTL-MDMKAECGSA-J,"InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b10-9-/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hdd2coa,"(2E)-Hexadecenoyl-CoA",C37H60N7O17P3S,-4,999.895,999.2979238,C05272,46173176,61526,HMDB0003945,"(E)-hexadec-2-enoyl-CoA",hdd2coa,hdd2coa,FDB023264,26332261,"",hdd2coa,"",,cpd03126,MNXM581,,NaN,4460-95-1,DTXSID70331510,JUPAQFRKPHPXLD-JSJBGSCHSA-J,"InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h16-17,24-26,30-32,36,47-48H,4-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b17-16+/t26-,30-,31-,32+,36-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hdd2crn,"Trans-Hexadec-2-Enoyl Carnitine",C23H43NO4,0,0,0,,53477817,NaN,,"",hdd2crn,hdd2crn,,NaN,"",hdd2crn,"",,,MNXM9167,,NaN,,,SOYNLLDADLOGAM-ISLYRVAYSA-N,"InChI=1S/C23H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h17-18,21H,5-16,19-20H2,1-4H3/b18-17+",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
hdeACP,"Cis-Hexadec-9-Enoyl-[Acyl-Carrier Protein] (N-C16:1)",C27H49N2O8PRS,-1,0,0,,NaN,NaN,,"",hdeACP,,,NaN,"",hdeACP,"",,cpd15239,MNXM89949,,NaN,,,,"",
hdl_hs,"High Density Lipoprotein",X,0,0,0,,NaN,NaN,,"",,hdl_hs,,NaN,"",,"",,,,,NaN,,,,"",
hemeO,"Heme O",C49H56FeN4O5,-2,0,0,,NaN,NaN,,"",,,,NaN,"",hemeO,"",,cpd11313,MNXM1278,,NaN,,,,"",
hepcoa,"Heptanoyl Coenzyme A",C28H44N7O17P3S,-4,0,0,,53481563,NaN,,"",hepcoa,hepcoa,,NaN,"",,"",,,,,NaN,,,CHVYGJMBUXUTSX-SVHODSNWSA-J,"InChI=1S/C28H48N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/t17-,21-,22-,23+,27-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hepdeceth,"Heptadecanoyl Thanolamide (C17:0)",C19H39NO2,0,0,0,,NaN,NaN,,"",,hepdeceth,,NaN,"",,"",,,,,NaN,,,GCCFMSAXQJECNH-UHFFFAOYSA-N,"InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20-17-18-21/h21H,2-18H2,1H3,(H,20,22)",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
hepdp,"All-trans-Heptaprenyl diphosphate",C35H57O7P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",hepdp,"",,cpd02590,MNXM1722,,NaN,,,,"",
hestratriol,"4-Hydroxyestradiol",C18H24O3,0,288.3814,288.1725446,C14209,44348689,62845,HMDB0005896,"",hestratriol,hestratriol,FDB023787,23205091,"",hestratriol,"4-Hydroxyestradiol",,,MNXM91434,,NaN,5976-61-4,DTXSID3022374,QOZFCKXEVSGWGS-ZHIYBZGJSA-N,"InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1",[H]OC1=C([H])C([H])=C2C(=C1O[H])C([H])([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
hethmpp,"Hydroxy ethyl Thiamin diphosphate",C14H20N4O8P2S,-2,0,0,,NaN,NaN,,"",,,,NaN,"",hethmpp,"",,cpd03049,MNXM148281,,NaN,,,,"",
hexACP,"Hexanoyl-ACP (n-C6:0ACP)",C17H31N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",hexACP,"",,cpd11472,MNXM90722,,NaN,,,,"",
hexc,"Hexacosanoic acid",C26H51O2,-1,396.6899,396.3967309,,10469,31009,HMDB0002356,"",hexc,hexc,FDB003045,10037,"CPD-7832",hexc,"Cerate",,,MNXM1833,C00035114,6642,506-46-7,DTXSID7075050,XMHIUKTWLZUKEX-UHFFFAOYSA-M,"InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
hexccoa,"Hexacosanoyl Coenzyme A",C47H82N7O17P3S,-4,0,0,,25246198,NaN,,"",hexccoa,hexccoa,,NaN,"",hexccoa,"",,,MNXM1479,,NaN,,,FHLYYFPJDVYWQH-GHTQTPJDSA-J,"InChI=1S/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/p-4/t36-,40-,41-,42+,46-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hexccrn,"Hexacosanoylcarnitine",C33H65NO4,0,0,0,,53477828,NaN,,"",hexccrn,,,NaN,"",hexccrn,"",,,MNXM8714,,NaN,,,KOCKWDDTAHPJSX-UHFFFAOYSA-N,"InChI=1S/C33H65NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(37)38-31(29-32(35)36)30-34(2,3)4/h31H,5-30H2,1-4H3",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
hexddcoa,"7,10-Hexadecadienoyl Coenzyme A",C37H58N7O17P3S,-4,0,0,,NaN,NaN,,"",hexddcoa,hexddcoa,,NaN,"",,"",,,,,NaN,,,OKKMIEAMIHILAM-BBECNAHFSA-J,"InChI=1S/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h8-9,11-12,24-26,30-32,36,47-48H,4-7,10,13-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hexde7coa,"7-Hexadecenoyl Coenzyme A",C37H60N7O17P3S,-4,0,0,,NaN,NaN,,"",hexde7coa,hexde7coa,,NaN,"",,"",,,,,NaN,,,MJWMOLDKMBISOB-BBECNAHFSA-J,"InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h11-12,24-26,30-32,36,47-48H,4-10,13-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hexdeceeth,"Hexadecenoyl Ethanolamide, C16:1-Ethanolamide (Delta 9)",C18H35NO2,0,0,0,,NaN,NaN,,"",,hexdeceeth,,NaN,"",,"",,,,,NaN,,,HXYVTAGFYLMHSO-UHFFFAOYSA-N,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
hexdectecoa,"2,4,7,10-Hexadecatetraenoyl Coenzyme A",C37H54N7O17P3S,-4,0,0,,NaN,NaN,,"",hexdectecoa,hexdectecoa,,NaN,"",,"",,,,,NaN,,,DNBBSGAGPHVPCV-NDRFOXSTSA-J,"InChI=1S/C37H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h8-9,11-12,14-17,24-26,30-32,36,47-48H,4-7,10,13,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b9-8-,12-11-,15-14-,17-16+/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hexdiac,"Hexadecanediocacid",C16H28O4,-2,0,0,,10459,NaN,,"",hexdiac,hexdiac,,NaN,"",,"",,,,,NaN,,,QQHJDPROMQRDLA-UHFFFAOYSA-L,"InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)/p-2",[H]C([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
hexdicoa,"Hexadecanedioyl Coenzyme A",C37H59N7O19P3S,-5,0,0,,NaN,NaN,,"",hexdicoa,hexdicoa,,NaN,"",,"",,,,,NaN,,,GTCSHNMTNCXODY-VUNKUNIZSA-I,"InChI=1S/C37H64N7O19P3S/c1-37(2,32(50)35(51)40-18-17-26(45)39-19-20-67-28(48)16-14-12-10-8-6-4-3-5-7-9-11-13-15-27(46)47)22-60-66(57,58)63-65(55,56)59-21-25-31(62-64(52,53)54)30(49)36(61-25)44-24-43-29-33(38)41-23-42-34(29)44/h23-25,30-32,36,49-50H,3-22H2,1-2H3,(H,39,45)(H,40,51)(H,46,47)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/p-5/t25-,30-,31-,32+,36-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hexdp,"All-trans-Hexaprenyl diphosphate",C30H49O7P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",hexdp,"",,cpd00906,MNXM1067,,NaN,,,,"",
hexdpencoa,"2,4,7,10,13-Hexadecapentaenoyl Coenzyme A",C37H52N7O17P3S,-4,0,0,,NaN,NaN,,"",hexdpencoa,hexdpencoa,,NaN,"",,"",,,,,NaN,,,HVDWUYYZEXILFX-VOGPJLKTSA-J,"InChI=1S/C37H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h5-6,8-9,11-12,14-17,24-26,30-32,36,47-48H,4,7,10,13,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b6-5-,9-8-,12-11-,15-14-,17-16+/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hexdtr,"(Z,Z,Z)-7,10,13-Hexadecatrienoic Acid",C16H25O2,-1,0,0,,NaN,NaN,,"",,hexdtr,,NaN,"",,"",,,,,NaN,,,ACMRMRCQUBMLNH-SPOHZTNBSA-M,"InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8,10-11,13-14H,2-6,9,12,15H2,1H3,(H,17,18)/p-1/b8-7+,11-10+,14-13+",[H]\C(=C(\[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([O-])=O
hexdtrcoa,"7,10,13-Hexadecatrienoyl Coenzyme A",C37H56N7O17P3S,-4,0,0,,NaN,NaN,,"",hexdtrcoa,hexdtrcoa,,NaN,"",,"",,,,,NaN,,,ABCIQUBYFOVMTP-FCMSQOBCSA-J,"InChI=1S/C37H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h5-6,8-9,11-12,24-26,30-32,36,47-48H,4,7,10,13-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b6-5-,9-8-,12-11?/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hexe3coa,"3-Hexenoyl Coenzyme A",C27H40N7O17P3S,-4,0,0,,53477848,NaN,,"",hexe3coa,hexe3coa,,NaN,"",,"",,,,,NaN,,,SKDDJNFRAZIJIG-PFNGVMQSSA-J,"InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h5-6,14-16,20-22,26,37-38H,4,7-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b6-5+/t16-,20-,21-,22?,26-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hexgly,"Hexanoyl-Glycine",C8H14NO3,-1,0,0,,NaN,NaN,,"",,hexgly,,NaN,"",,"",,,,,NaN,,,UPCKIPHSXMXJOX-UHFFFAOYSA-M,"InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)/p-1",[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([O-])=O
hexs,"Hexanesulfonate",C6H13O3S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",hexs,"",,cpd11578,MNXM11814,,NaN,,,,"",
hg2,"Hg2+",Hg,2,0,0,,NaN,NaN,,"",,,,NaN,"",hg2,"",,cpd00531,MNXM1562,,NaN,,,,"",
hgbam,"Hydrogenobyrinate a,c diamide",C45H58N6O12,-4,0,0,C06503,8734,27914,,"",,,,NaN,"",hgbam,"",,cpd03913,MNXM1022,,NaN,,,,"InChI=1S/C45H62N6O12/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61/h18,23-26,40,51H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b27-18-,36-21-,37-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1",
hgbyr,"Hydrogenobyrinate",C45H54N4O14,-6,0,0,C06399,NaN,NaN,,"",,,,NaN,"",hgbyr,"",,cpd03832,MNXM1279,,NaN,,,,"",
hgentis,"Homogentisic acid",C8H7O4,-1,168.1467,168.0422587,C00544,780,44747,HMDB0000130,"",hgentis,hgentis,FDB021899,759,"",hgentis,"Homogentisic acid",DB08327,cpd00426,MNXM345,C00007309,331,451-13-8,DTXSID1060005,IGMNYECMUMZDDF-UHFFFAOYSA-M,"InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/p-1",[H]OC1=C([H])C([H])=C(O[H])C(=C1[H])C([H])([H])C([O-])=O
hhlipa,"Heptosyl-heptosyl-kdo2-lipidA",C124H220N2O51P2,-6,0,0,,NaN,NaN,,"",,,,NaN,"",hhlipa,"",,cpd15484,MNXM2582,,NaN,,,,"",
hhxdcal,"2-Hydroxyhexadecanal",C16H32O2,0,256.4299927,256.2402303,,NaN,NaN,,"",,hhxdcal,,NaN,"",,"",,,,,NaN,193619-57-7,DTXSID80597165,BKBDVQVDRVGXKT-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h15-16,18H,2-14H2,1H3",[H]OC([H])(C([H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
hicit,"Homoisocitrate (iMM904)",C7H7O7,-3,0,0,,NaN,NaN,,"",,,,NaN,"",hicit,"",,cpd03372,MNXM984,,NaN,,,,"",
his_L,"L-Histidine",C6H9N3O2,0,155.1546,155.0694765,C00135,6274,15971,HMDB0000177,"",his_L,his_L,FDB011856,6038,"HIS",his__L,"L-Histidine",DB00117,cpd00119,MNXM134,C00001363,21,71-00-1,DTXSID9023126,HNDVDQJCIGZPNO-YFKPBYRVSA-N,"InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1",[H]N1C([H])=NC(=C1[H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
hisargcys,"Histidyl-Arginyl-Cysteine",C15H27N8O4S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JHVCZQFWRLHUQR-DCAQKATOSA-M,"InChI=1S/C15H26N8O4S/c16-9(4-8-5-19-7-21-8)12(24)22-10(2-1-3-20-15(17)18)13(25)23-11(6-28)14(26)27/h5,7,9-11,28H,1-4,6,16H2,(H,19,21)(H,22,24)(H,23,25)(H,26,27)(H4,17,18,20)/p-1/t9-,10-,11-/m0/s1",[H]SC([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([O-])=O
hisargser,"Histidyl-Arginyl-Serine",C15H27N8O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ZPVJJPAIUZLSNE-AXFHLTTASA-O,"InChI=1S/C15H26N8O5/c16-9(4-8-5-19-7-21-8)12(25)22-10(2-1-3-20-15(17)18)13(26)23-11(6-24)14(27)28/h5,7,9-11,24H,1-4,6,16H2,(H,19,21)(H,22,25)(H,23,26)(H,27,28)(H4,17,18,20)/p+1/t9-,10+,11-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])O[H]
hisasp,"Histidyl-Aspartate",C10H13N4O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MDCTVRUPVLZSPG-NKWVEPMBSA-M,"InChI=1S/C10H14N4O5/c11-6(1-5-3-12-4-13-5)9(17)14-7(10(18)19)2-8(15)16/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)/p-1/t6-,7+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([O-])=O
hiscyscys,"Histidyl-Cystyl-Cysteine",C12H19N5O4S2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UVUIXIVPKVMONA-YIZRAAEISA-N,"InChI=1S/C12H19N5O4S2/c13-7(1-6-2-14-5-15-6)10(18)16-8(3-22)11(19)17-9(4-23)12(20)21/h2,5,7-9,22-23H,1,3-4,13H2,(H,14,15)(H,16,18)(H,17,19)(H,20,21)/t7-,8+,9-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])S[H])C([H])([H])S[H]
hisglnala,"Histidyl-Glutaminyl-Alanine",C14H22N6O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UPGJWSUYENXOPV-UJNFCWOMSA-N,"InChI=1S/C14H22N6O5/c1-7(14(24)25)19-13(23)10(2-3-11(16)21)20-12(22)9(15)4-8-5-17-6-18-8/h5-7,9-10H,2-4,15H2,1H3,(H2,16,21)(H,17,18)(H,19,23)(H,20,22)(H,24,25)/t7-,9-,10+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H]
hisglu,"Histidyl-Glutamate",C11H15N4O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VHOLZZKNEBBHTH-JGVFFNPUSA-M,"InChI=1S/C11H16N4O5/c12-7(3-6-4-13-5-14-6)10(18)15-8(11(19)20)1-2-9(16)17/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,17)(H,19,20)/p-1/t7-,8+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])C([O-])=O
hisglugln,"Histidyl-Glutamyl-Glutamine",C16H23N6O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BQFGKVYHKCNEMF-AXFHLTTASA-M,"InChI=1S/C16H24N6O7/c17-9(5-8-6-19-7-20-8)14(26)21-10(2-4-13(24)25)15(27)22-11(16(28)29)1-3-12(18)23/h6-7,9-11H,1-5,17H2,(H2,18,23)(H,19,20)(H,21,26)(H,22,27)(H,24,25)(H,28,29)/p-1/t9-,10+,11-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C(=O)N([H])[H]
hisglylys,"Histidyl-Lysyl-Lysine",C14H25N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UMBKDWGQESDCTO-KKUMJFAQSA-M,"InChI=1S/C18H33N7O4/c19-7-3-1-5-14(17(27)25-15(18(28)29)6-2-4-8-20)24-16(26)13(21)9-12-10-22-11-23-12/h10-11,13-15H,1-9,19-21H2,(H,22,23)(H,24,26)(H,25,27)(H,28,29)/p-1/t13-,14-,15-/m0/s1",[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([O-])=O
hishislys,"Histidyl-Histidyl-Lysine",C18H29N8O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,AKAPKBNIVNPIPO-KKUMJFAQSA-M,"InChI=1S/C18H28N8O4/c19-4-2-1-3-14(18(29)30)25-17(28)15(6-12-8-22-10-24-12)26-16(27)13(20)5-11-7-21-9-23-11/h7-10,13-15H,1-6,19-20H2,(H,21,23)(H,22,24)(H,25,28)(H,26,27)(H,29,30)/p-1/t13-,14-,15-/m0/s1",[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([O-])=O
hislysala,"Histidyl-Lysyl-Alanine",C15H27N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PGRPSOUCWRBWKZ-ZMLRMANQSA-O,"InChI=1S/C15H26N6O4/c1-9(15(24)25)20-14(23)12(4-2-3-5-16)21-13(22)11(17)6-10-7-18-8-19-10/h7-9,11-12H,2-6,16-17H2,1H3,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/p+1/t9-,11-,12+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])[H]
hislysglu,"Histidyl-Lysyl-Glutamate",C17H28N6O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JUIOPCXACJLRJK-XQQFMLRXSA-N,"InChI=1S/C17H28N6O6/c18-6-2-1-3-12(16(27)23-13(17(28)29)4-5-14(24)25)22-15(26)11(19)7-10-8-20-9-21-10/h8-9,11-13H,1-7,18-19H2,(H,20,21)(H,22,26)(H,23,27)(H,24,25)(H,28,29)/t11-,12+,13-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O
hislysile,"Histidyl-Lysyl-Isoleucine",C18H33N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LDFWDDVELNOGII-MXAVVETBSA-M,"InChI=1S/C18H32N6O4/c1-3-11(2)15(18(27)28)24-17(26)14(6-4-5-7-19)23-16(25)13(20)8-12-9-21-10-22-12/h9-11,13-15H,3-8,19-20H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)(H,27,28)/p-1/t11-,13-,14-,15-/m0/s1",[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C(=O)N([H])[C@]([H])(C([O-])=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
hislysthr,"Histidyl-Lysyl-Threonine",C16H29N6O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BKOVCRUIXDIWFV-SYEHKZFSSA-O,"InChI=1S/C16H28N6O5/c1-9(23)13(16(26)27)22-15(25)12(4-2-3-5-17)21-14(24)11(18)6-10-7-19-8-20-10/h7-9,11-13,23H,2-6,17-18H2,1H3,(H,19,20)(H,21,24)(H,22,25)(H,26,27)/p+1/t9-,11-,12+,13-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H]
hislysval,"Histidyl-Lysyl-Valine",C17H31N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,TVMNTHXFRSXZGR-IHRRRGAJSA-M,"InChI=1S/C17H30N6O4/c1-10(2)14(17(26)27)23-16(25)13(5-3-4-6-18)22-15(24)12(19)7-11-8-20-9-21-11/h8-10,12-14H,3-7,18-19H2,1-2H3,(H,20,21)(H,22,24)(H,23,25)(H,26,27)/p-1/t12-,13-,14-/m0/s1",[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C(=O)N([H])[C@]([H])(C([O-])=O)C([H])(C([H])([H])[H])C([H])([H])[H]
hismet,"Histidyl-Methionine",C11H18N4O3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,AYIZHKDZYOSOGY-IUCAKERBSA-M,"InChI=1S/C11H18N4O3S/c1-19-3-2-9(11(17)18)15-10(16)8(12)4-7-5-13-6-14-7/h5-6,8-9H,2-4,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)/p-1/t8-,9-/m0/s1",[H]N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H]
hismetgln,"Histidyl-Methionyl-Glutamine",C16H26N6O5S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NKRWVZQTPXPNRZ-TUAOUCFPSA-N,"InChI=1S/C16H26N6O5S/c1-28-5-4-11(15(25)22-12(16(26)27)2-3-13(18)23)21-14(24)10(17)6-9-7-19-8-20-9/h7-8,10-12H,2-6,17H2,1H3,(H2,18,23)(H,19,20)(H,21,24)(H,22,25)(H,26,27)/t10-,11+,12-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]
hisp,"L-Histidinol phosphate",C6H11N3O4P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",hisp,"",,cpd00807,MNXM1482,,NaN,,,,"",
hisphearg,"Histidyl-Phenylalanyl-Arginine",C21H31N8O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,AYUOWUNWZGTNKB-YESZJQIVSA-O,"InChI=1S/C21H30N8O4/c22-15(10-14-11-25-12-27-14)18(30)29-17(9-13-5-2-1-3-6-13)19(31)28-16(20(32)33)7-4-8-26-21(23)24/h1-3,5-6,11-12,15-17H,4,7-10,22H2,(H,25,27)(H,28,31)(H,29,30)(H,32,33)(H4,23,24,26)/p+1/t15-,16-,17+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
hisprolys,"Histidyl-Prolyl-Lysine",C17H29N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PGXZHYYGOPKYKM-IHRRRGAJSA-O,"InChI=1S/C17H28N6O4/c18-6-2-1-4-13(17(26)27)22-15(24)14-5-3-7-23(14)16(25)12(19)8-11-9-20-10-21-11/h9-10,12-14H,1-8,18-19H2,(H,20,21)(H,22,24)(H,26,27)/p+1/t12-,13-,14-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)[C@]([H])(N([H])[H])C([H])([H])C2=C([H])N([H])C([H])=N2)C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
hista,"Histamine",C5H10N3,1,111.1451,111.0796473,C00388,774,18295,HMDB0000870,"",hista,hista,FDB012596,753,"HISTAMINE",hista,"Histamine",EXPT01785,cpd00312,MNXM635,C00001414,68,51-45-6,DTXSID4023125,NTYJJOPFIAHURM-UHFFFAOYSA-O,"InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1",[H]N1C([H])=NC(=C1[H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
histd,"L-Histidinol",C6H12N3O,1,0,0,,NaN,NaN,HMDB0003431,"",,,,NaN,"",histd,"",,cpd00641,MNXM1281,,NaN,,,,"",
histl_L,"L-Histidinal",C6H10N3O,1,0,0,,NaN,NaN,HMDB0012234,"",,,,NaN,"",,"",,cpd01324,,,NaN,,,,"",
histrphis,"Histidyl-Tryptophanyl-Histidine",C23H26N8O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XSEAJSPAOTZXJE-SXLOBPIMSA-N,"InChI=1S/C23H26N8O4/c24-17(6-14-9-25-11-28-14)21(32)30-19(5-13-8-27-18-4-2-1-3-16(13)18)22(33)31-20(23(34)35)7-15-10-26-12-29-15/h1-4,8-12,17,19-20,27H,5-7,24H2,(H,25,28)(H,26,29)(H,30,32)(H,31,33)(H,34,35)/t17-,19+,20-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C1=C([H])N([H])C([H])=N1
hkmpp,"2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate",C6H9O6PS,-2,0,0,C15651,17396641,50605,,"",,,,NaN,"",hkmpp,"",,cpd11296,MNXM409,,NaN,,,,"InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11)",
hkndd,"2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate",C9H8O6,-2,0,0,,NaN,NaN,,"",,,,NaN,"",hkndd,"",,cpd02731,MNXM1693,,NaN,,,,"",
hkntd,"2-hydroxy-6-ketononatrienedioate",C9H6O6,-2,0,0,,NaN,NaN,,"",,,,NaN,"",hkntd,"",,cpd09255,MNXM2040,,NaN,,,,"",
hlipa,"Heptosyl-kdo2-lipidA",C117H208N2O45P2,-6,0,0,,NaN,NaN,,"",,,,NaN,"",hlipa,"",,cpd15485,MNXM2680,,NaN,,,,"",
hLkynr,"Hydroxykynurenine",C10H12N2O4,0,224.2133,224.0797069,C02794,89,1547,HMDB0000732,"",hLkynr,hLkynr,FDB022210,87,"3-HYDROXY-L-KYNURENINE",hLkynr,"3-hydroxykynurenine",,cpd02065,MNXM576,,5700,484-78-6,,VCKPUUFAIGNJHC-LURJTMIESA-N,"InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/m0/s1",[H]OC1=C([H])C([H])=C([H])C(C(=O)C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])=C1N([H])[H]
hmbil,"Hydroxymethylbilane",C40H38N4O17,-8,854.8098,854.2857961,C01024,788,16645,HMDB0001137,"",hmbil,hmbil,FDB022446,767,"HYDROXYMETHYLBILANE",hmbil,"Hydroxymethylbilane",,cpd00755,MNXM547,,3699,73023-76-4,,WDFJYRZCZIUBPR-UHFFFAOYSA-F,"InChI=1S/C40H46N4O17/c45-17-32-25(12-40(60)61)21(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)20(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)19(2-6-34(48)49)27(42-30)13-26-22(9-37(54)55)18(16-41-26)1-5-33(46)47/h16,41-45H,1-15,17H2,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/p-8",[H]OC([H])([H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C(=C([H])N1[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
hmcarn,"Homocarnosine",C10H16N4O3,0,240.259,240.1222404,C00884,10243361,491179,HMDB0000745,"",,hmcarn,FDB022217,8418848,"",,"",,,,,270,3650-73-5,,CCLQKVKJOGVQLU-QMMMGPOBSA-N,"InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1
hmcr,"Homocitrulline",C7H15N3O3,0,189.2123,189.1113414,C02427,65072,17443,HMDB0000679,"",,hmcr,FDB022178,58582,"CPD-161",,"",,,,,46,1190-49-4,,XIGSAGMEBXLVJJ-YFKPBYRVSA-N,"InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)N([H])[H]
hmgcoa,"3-Hydroxy-3-methylglutaryl-CoA",C27H39N7O20P3S,-5,911.659,911.1574671,C00356,439218,15467,HMDB0001375,"(3S)-3-hydroxy-3-methylglutaryl-CoA",hmgcoa,hmgcoa,FDB022587,388357,"3-HYDROXY-3-METHYL-GLUTARYL-COA",hmgcoa,"3-hydroxy-3-methylglutaryl-CoA",,cpd00292,MNXM36493,C00007270,6201,1553-55-5,,CABVTRNMFUVUDM-VRHQGPGLSA-I,"InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@](O[H])(C([H])([H])[H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hmgth,"Hydroxymethylglutathione",C11H18N3O7S,-1,0,0,,NaN,NaN,HMDB0004662,"",,,,NaN,"",hmgth,"",,cpd09879,MNXM1051,,NaN,,,,"",
hmppp9mme,"13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester",C35H33N4O5Mg,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd08629,,,NaN,,,,"",
hnifedipine,"Nifedipine",C17H18N2O7,0,346.3346,346.1164863,C07266,4485,7565,HMDB0015247,"",hnifedipine,hnifedipine,,4330,"",hnifedipine,"Nifedipine",DB01115,,MNXM18597,,NaN,21829-25-4,DTXSID2025715,HYIMSNHJOBLJNT-UHFFFAOYSA-N,"InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3",[H]N1C(=C(C(=O)OC([H])([H])[H])C([H])(C2=C(C([H])=C([H])C([H])=C2[H])[N+]([O-])=O)C(C(=O)OC([H])([H])[H])=C1C([H])([H])[H])C([H])([H])[H]
hoacoa,"3-hydroxyadipyl-CoA",C27H40N7O20P3S,-4,0,0,C14145,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hololys2,"Holo-Lys2",HRS,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd13373,,,NaN,,,,"",
hom_L,"L-Homoserine",C4H9NO3,0,119.1192,119.0582432,C00263,12647,15699,HMDB0000719,"",hom_L,hom_L,FDB000522,12126,"HOMO-SER",hom__L,"Homoserine",,cpd00227,MNXM353,C00001366,5687,672-15-1,DTXSID5075159,UKAUYVFTDYCKQA-VKHMYHEASA-N,"InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1",[H]OC([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
homogal,"Homogalacturonan, 100 galacturonate residues. Assumed to be methylated/ acetylated in every 5th residue. Citrus HG consists of 7... <Preview truncated at 128 characters>",C660H840O660,-120,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
homoval,"Homovanillic acid",C9H9O4,-1,182.1733,182.0579088,C05582,1738,545959,HMDB0000118,"",homoval,homoval,FDB001783,1675,"",homoval,"Homovanillic acid",,,MNXM162963,C00029504,971,306-08-1,DTXSID5059791,QRMZSPFSDQBLIX-UHFFFAOYSA-M,"InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/p-1",[H]OC1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([O-])=O
hpdca,"Heptadecanoic acid",C17H33O2,-1,270.4507,270.2558803,,10465,32365,HMDB0002259,"",hpdca,hpdca,FDB004676,10033,"",hpdca,"Heptadecanoic_acid",,,MNXM11802,C00007426,6578,506-12-7,DTXSID5021596,KEMQGTRYUADPNZ-UHFFFAOYSA-M,"InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
hpdcacoa,"Heptadecanoyl Coenzyme A",C38H64N7O17P3S,-4,0,0,,3082004,NaN,,"",hpdcacoa,hpdcacoa,,NaN,"",hpdcacoa,"",,,MNXM7415,,NaN,,,DRABUZIHHACUPI-DUPKZGIXSA-J,"InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h25-27,31-33,37,48-49H,4-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/t27-,31-,32-,33+,37-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hpdcacrn,"Heptadecanoyl carnitine",C24H47NO4,0,413.6343,413.350509,,53477803,131887,HMDB0006210,"",hpdcacrn,hpdcacrn,FDB023836,21233951,"",hpdcacrn,"",,,MNXM8707,,NaN,106182-29-0,,DWSFAVOTORHAAL-UHFFFAOYSA-N,"InChI=1S/C24H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-22(20-23(26)27)21-25(2,3)4/h22H,5-21H2,1-4H3",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
hpdece,"Trans-Delta-2-Heptadecanoic Acid",C15H27O2,-1,0,0,,NaN,NaN,,"",,hpdece,,NaN,"",,"",,,,,NaN,,,HOGWBMWOBRRKCD-BUHFOSPRSA-M,"InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h13-14H,2-12H2,1H3,(H,16,17)/p-1/b14-13+",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([O-])=O
hpdececoa,"Trans-Delta-2-Heptadecanoyl Coenzyme A",C36H58N7O17P3S,-4,0,0,,NaN,NaN,,"",,hpdececoa,,NaN,"",,"",,,,,NaN,,,BUFWYEICGKLDLP-FOCLMDBBSA-J,"InChI=1S/C36H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h15-16,23-25,29-31,35,46-47H,4-14,17-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/b16-15+",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
hphaccoa,"4-Hydroxyphenylacetyl-CoA",C29H38N7O18P3S,-4,0,0,,NaN,NaN,HMDB0003967,"",,,,NaN,"",hphaccoa,"",,,MNXM37550,,NaN,,,,"",
hphhlipa,"Heptosyl-phospho-heptosyl-heptosyl-kdo2-lipidA",C131H231N2O60P3,-8,0,0,,NaN,NaN,,"",,,,NaN,"",hphhlipa,"",,cpd15488,MNXM56168,,NaN,,,,"",
hpyr,"Hydroxypyruvic acid",C3H3O4,-1,104.0615,104.0109586,C00168,964,30841,HMDB0001352,"",hpyr,hpyr,FDB008112,939,"OH-PYR",hpyr,"Hydroxypyruvic_acid",,cpd00145,MNXM392,C00007563,482,1113-60-6,DTXSID40149588,HHDDCCUIIUWNGJ-UHFFFAOYSA-M,"InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)/p-1",[H]OC([H])([H])C(=O)C([O-])=O
hqn,"Hydroquinone",C6H6O2,0,0,0,,NaN,NaN,HMDB0002434,"",,,,NaN,"",hqn,"",,cpd00415,MNXM376,,NaN,,,,"",
hretn,"4-Hydroxyretinoic acid",C20H27O3,-1,0,0,C16677,6438629,63795,HMDB0006254,"",hretn,hretn,FDB023862,4943093,"",hretn,"",DBMET00298,,MNXM8133,,NaN,,,KGUMXGDKXYTTEY-FRCNGJHJSA-M,"InChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/p-1/b8-6+,10-9+,14-7+,15-13+",[H]OC1([H])C(=C(\C([H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])C([O-])=O)\C([H])([H])[H])\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]
hs,"Heparan sulfate",C79H114N5O102S12,-13,637.522,636.9924689,C00925,53477714,NaN,HMDB0000693,"",hs,hs,FDB022184,NaN,"CPD-7177",hs,"Heparan sulfate",,,MNXM11778,,NaN,9050-30-0,,WKPUACLQLIIVJJ-RHKLHVFKSA-M,"",[H]O[C@@]1([H])[C@]([H])(O-*)[C@@]([H])(O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])S([O-])(=O)=O)[C@@]([H])(OC([H])([H])[H])O[C@]2([H])C([H])([H])OS([O-])(=O)=O)[C@]1([H])OS([O-])(=O)=O)C([O-])=O
hs_deg1,"Heparan Sulfate, Degradation Product 1",C79H115N5O99S11,-12,0,0,,NaN,NaN,,"",hs_deg1,hs_deg1,,NaN,"",hs_deg1,"",,,MNXM11753,,NaN,,,,"",
hs_deg10,"Heparan Sulfate, Degradation Product 10",C55H80N3O70S8,-9,0,0,,NaN,NaN,,"",hs_deg10,hs_deg10,,NaN,"",hs_deg10,"",,,MNXM11754,,NaN,,,,"",
hs_deg11,"Heparan Sulfate, Degradation Product 11",C55H81N3O67S7,-8,0,0,,NaN,NaN,,"",hs_deg11,hs_deg11,,NaN,"",hs_deg11,"",,,MNXM11755,,NaN,,,,"",
hs_deg12,"Heparan Sulfate, Degradation Product 12",C55H82N3O64S6,-7,0,0,,NaN,NaN,,"",hs_deg12,hs_deg12,,NaN,"",hs_deg12,"",,,MNXM11756,,NaN,,,,"",
hs_deg13,"Heparan Sulfate, Degradation Product 13",C55H83N3O61S5,-6,0,0,,NaN,NaN,,"",hs_deg13,hs_deg13,,NaN,"",hs_deg13,"",,,MNXM11757,,NaN,,,,"",
hs_deg14,"Heparan Sulfate, Degradation Product 14",C57H84N3O62S5,-7,0,0,,NaN,NaN,,"",hs_deg14,hs_deg14,,NaN,"",hs_deg14,"",,,MNXM11758,,NaN,,,,"",
hs_deg15,"Heparan Sulfate, Degradation Product 15",C49H71N2O57S5,-7,0,0,,NaN,NaN,,"",hs_deg15,hs_deg15,,NaN,"",hs_deg15,"",,,MNXM11759,,NaN,,,,"",
hs_deg16,"Heparan Sulfate, Degradation Product 16",C49H72N2O54S4,-6,0,0,,NaN,NaN,,"",hs_deg16,hs_deg16,,NaN,"",hs_deg16,"",,,MNXM11760,,NaN,,,,"",
hs_deg17,"Heparan Sulfate, Degradation Product 17",C43H65N2O48S4,-5,0,0,,NaN,NaN,,"",hs_deg17,hs_deg17,,NaN,"",hs_deg17,"",,,MNXM11761,,NaN,,,,"",
hs_deg18,"Heparan Sulfate, Degradation Product 18",C43H66N2O45S3,-4,0,0,,NaN,NaN,,"",hs_deg18,hs_deg18,,NaN,"",hs_deg18,"",,,MNXM11762,,NaN,,,,"",
hs_deg19,"Heparan Sulfate, Degradation Product 19",C43H67N2O42S2,-3,0,0,,NaN,NaN,,"",hs_deg19,hs_deg19,,NaN,"",hs_deg19,"",,,MNXM11763,,NaN,,,,"",
hs_deg2,"Heparan Sulfate, Degradation Product 2",C79H116N5O96S10,-11,0,0,,NaN,NaN,,"",hs_deg2,hs_deg2,,NaN,"",hs_deg2,"",,,MNXM11764,,NaN,,,,"",
hs_deg20,"Heparan Sulfate, Degradation Product 20",C45H68N2O43S2,-4,0,0,,NaN,NaN,,"",hs_deg20,hs_deg20,,NaN,"",hs_deg20,"",,,MNXM11765,,NaN,,,,"",
hs_deg21,"Idoa2S-Beta-1,4-GlcNac(3S)-Alpha-1,4-Glca-Beta-1,3-Gal-Beta-1,3-Gal-Beta-1,4-Xylose",C37H55NO38S2,-4,0,0,,NaN,NaN,,"",hs_deg21,hs_deg21,,NaN,"",hs_deg21,"",,,MNXM11766,,NaN,,,,"",
hs_deg22,"Idoa-Beta-1,4-GlcNac(3S)-Alpha-1,4-Glca-Beta-1,3-Gal-Beta-1,3-Gal-Beta-1,4-Xylose",C37H56NO35S,-3,0,0,,NaN,NaN,,"",hs_deg22,hs_deg22,,NaN,"",hs_deg22,"",,,MNXM11767,,NaN,,,,"",
hs_deg23,"GlcNac(3S)-Alpha-1,4-Glca-Beta-1,3-Gal-Beta-1,3-Gal-Beta-1,4-Xylose",C31H49NO29S,-2,0,0,,NaN,NaN,,"",hs_deg23,hs_deg23,,NaN,"",hs_deg23,"",,,MNXM11768,,NaN,,,,"",
hs_deg24,"GlcNac-Glca-(Gal)2-Xyl",C31H50NO26,-1,0,0,,NaN,NaN,,"",hs_deg24,hs_deg24,,NaN,"",hs_deg24,"",,,MNXM11769,,NaN,,,,"",
hs_deg25,"Glca-Beta-1,3-Gal-Beta-1,3-Gal-Beta-1,4-Xylose",C23H37O21,-1,0,0,,NaN,NaN,,"",hs_deg25,hs_deg25,,NaN,"",hs_deg25,"",,,MNXM11770,,NaN,,,,"",
hs_deg3,"Heparan Sulfate, Degradation Product 3",C81H117N5O97S10,-12,0,0,,NaN,NaN,,"",hs_deg3,hs_deg3,,NaN,"",hs_deg3,"",,,MNXM11771,,NaN,,,,"",
hs_deg4,"Heparan Sulfate, Degradation Product 4",C73H104N4O92S10,-12,0,0,,NaN,NaN,,"",hs_deg4,hs_deg4,,NaN,"",hs_deg4,"",,,MNXM11772,,NaN,,,,"",
hs_deg5,"Heparan Sulfate, Degradation Product 5",C67H97N4O86S10,-11,0,0,,NaN,NaN,,"",hs_deg5,hs_deg5,,NaN,"",hs_deg5,"",,,MNXM11773,,NaN,,,,"",
hs_deg6,"Heparan Sulfate, Degradation Product 6",C67H98N4O83S9,-10,0,0,,NaN,NaN,,"",hs_deg6,hs_deg6,,NaN,"",hs_deg6,"",,,MNXM11774,,NaN,,,,"",
hs_deg7,"Heparan Sulfate, Degradation Product 7",C67H99N4O80S8,-9,0,0,,NaN,NaN,,"",hs_deg7,hs_deg7,,NaN,"",hs_deg7,"",,,MNXM11775,,NaN,,,,"",
hs_deg8,"Heparan Sulfate, Degradation Product 8",C69H100N4O81S8,-10,0,0,,NaN,NaN,,"",hs_deg8,hs_deg8,,NaN,"",hs_deg8,"",,,MNXM11776,,NaN,,,,"",
hs_deg9,"Heparan Sulfate, Degradation Product 9",C61H87N3O76S8,-10,0,0,,NaN,NaN,,"",hs_deg9,hs_deg9,,NaN,"",hs_deg9,"",,,MNXM11777,,NaN,,,,"",
hs_pre1,"Heparan Sulfate, Precursor 1",C31H49NO25X,-1,0,0,,NaN,NaN,,"",hs_pre1,hs_pre1,,NaN,"",hs_pre1,"",,,MNXM11779,,NaN,,,,"",
hs_pre10,"(Glcn2S-Glca)4-GlcNac-Glca-Gal-Gal-Xyl-L-Ser (Protein)",C79H121N5O77S4X,-5,0,0,,NaN,NaN,,"",hs_pre10,hs_pre10,,NaN,"",hs_pre10,"",,,MNXM11780,,NaN,,,,"",
hs_pre11,"(Glcn2S-Idoa-Glcn2S-Glca)2-GlcNac-Glca-Gal-Gal-Xyl-L-Ser (Protein)",C79H121N5O77S4X,-5,0,0,,NaN,NaN,,"",hs_pre11,hs_pre11,,NaN,"",hs_pre11,"",,,MNXM11781,,NaN,,,,"",
hs_pre12,"Glcn2S-Idoa-Glcn2S-Glca2S-Glcn2S-Idoa2S-Glcn2S-Glca-GlcNac-Glca-Gal-Gal-Xyl-L-Ser (Protein)",C79H119N5O83S6X,-7,0,0,,NaN,NaN,,"",hs_pre12,hs_pre12,,NaN,"",hs_pre12,"",,,MNXM11782,,NaN,,,,"",
hs_pre13,"Glcn2S-Idoa-Glcn2,6Dis-Glca2S-Glcn2,6Dis-Idoa2S-Glcn2,6Dis-Glca-GlcNac-Glca-Gal-Gal-Xyl-L-Ser (Protein)",C79H116N5O92S9X,-10,0,0,,NaN,NaN,,"",hs_pre13,hs_pre13,,NaN,"",hs_pre13,"",,,MNXM11783,,NaN,,,,"",
hs_pre14,"Heparan Sulfate, Precursor 14",C79H115N5O95S10X,-11,0,0,,NaN,NaN,,"",hs_pre14,hs_pre14,,NaN,"",hs_pre14,"",,,MNXM11784,,NaN,,,,"",
hs_pre15,"Heparan Sulfate, Precursor 15",C79H114N5O98S11X,-12,0,0,,NaN,NaN,,"",hs_pre15,hs_pre15,,NaN,"",hs_pre15,"",,,MNXM11785,,NaN,,,,"",
hs_pre2,"Heparan Sulfate, Precursor 2",C37H56NO31X,-2,0,0,,NaN,NaN,,"",hs_pre2,hs_pre2,,NaN,"",hs_pre2,"",,,MNXM11786,,NaN,,,,"",
hs_pre3,"GlcNac-Glca-GlcNac-Glca-Gal-Gal-Xyl-L-Ser (Protein)",C45H69N2O36X,-2,0,0,,NaN,NaN,,"",hs_pre3,hs_pre3,,NaN,"",hs_pre3,"",,,MNXM11787,,NaN,,,,"",
hs_pre4,"Glca-GlcNac-Glca-GlcNac-Glca-Gal-Gal-Xyl-L-Ser (Protein)",C51H76N2O42X,-3,0,0,,NaN,NaN,,"",hs_pre4,hs_pre4,,NaN,"",hs_pre4,"",,,MNXM11788,,NaN,,,,"",
hs_pre5,"(GlcNac-Glca)2-GlcNac-Glca-Gal-Gal-Xyl-L-Ser (Protein)",C59H89N3O47X,-3,0,0,,NaN,NaN,,"",hs_pre5,hs_pre5,,NaN,"",hs_pre5,"",,,MNXM11789,,NaN,,,,"",
hs_pre6,"Glca-(GlcNac-Glca)2-GlcNac-Glca-Gal-Gal-Xyl-L-Ser (Protein)",C65H96N3O53X,-4,0,0,,NaN,NaN,,"",hs_pre6,hs_pre6,,NaN,"",hs_pre6,"",,,MNXM11790,,NaN,,,,"",
hs_pre7,"(GlcNac-Glca)3-GlcNac-Glca-Gal-Gal-Xyl-L-Ser (Protein)",C73H109N4O58X,-4,0,0,,NaN,NaN,,"",hs_pre7,hs_pre7,,NaN,"",hs_pre7,"",,,MNXM11791,,NaN,,,,"",
hs_pre8,"Glca-(GlcNac-Glca)3-GlcNac-Glca-Gal-Gal-Xyl-L-Ser (Protein)",C79H116N4O64X,-5,0,0,,NaN,NaN,,"",hs_pre8,hs_pre8,,NaN,"",hs_pre8,"",,,MNXM11792,,NaN,,,,"",
hs_pre9,"(GlcNac-Glca)4-GlcNac-Glca-Gal-Gal-Xyl-L-Ser (Protein)",C87H129N5O69X,-5,0,0,,NaN,NaN,,"",hs_pre9,hs_pre9,,NaN,"",hs_pre9,"",,,MNXM11793,,NaN,,,,"",
hspg,"Heparan Sulfate Proteoglycan",C79H113N5O101S12X,-13,0,0,,NaN,NaN,,"",hspg,hspg,,NaN,"",hspg,"",,,MNXM7411,,NaN,,,,"",
hspg_degr_1,"Product 1 HEPARL1_e, IdoA-GlcN2,6diS-GlcA-GlcN2,3,6triS",C24H33O36N2S5,-7,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_10,"Product AS3TASE_HS2, GlcN2S-IdoA-GlcNAc-GlcA-Gal-Gal-Xyl-L-Ser (protein)",C43H66N2O38SX,-3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_11,"Product GAM2STASE_HS3, GlcN-IdoA-GlcNAc-GlcA-Gal-Gal-Xyl-L-Ser (protein)",C43H67N2O35X,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_12,"Product GLCNACASE_HS2, GlcA-GlcNAc-IdoA-Gal-Gal-Xyl-L-Ser (protein)",C37H56NO31X,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_13,"Product GLCAASE_HS, GlcNAc-IdoA-Gal-Gal-Xyl-L-Ser (protein)",C31H49NO25X,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_14,"Product GLCNACASE_HS3, IdoA-Gal-Gal-Xyl-L-Ser (protein)",C23H36O20X,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_15,"Product IDOURASE_HS3, Gal-Gal-Xyl-L-Ser (protein)",C17H29O14X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_2,"Product 2 HEPARL1_e, IdoA2S-GlcN2,6diS-IdoA2S-GlcNAc3S-GlcA-Gal-Gal-Xyl-L-Ser (protein)",C49H71N2O56S5X,-6,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_3,"Product IDOURASE_HS1, GlcN2,6diS-GlcA-GlcN2,3,6triS",C18H26O30N2S5,-6,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_4,"Product AS6TASE_HS1, GlcN2S-GlcA-GlcN2,3diS",C18H28O24N2S3,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_5,"Product AS3TASE_HS1, GlcN2S-GlcA-GlcN2S",C18H29O21N2S2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_6,"Product GAM2STASE_HS2, GlcN-GlcA-GlcN",C18H31O15N2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_7,"Product IS2TASE_HS1, IdoA-GlcN2,6diS-IdoA-GlcNAc3S-GlcA-Gal-Gal-Xyl-L-Ser (protein)",C49H71N2O50S3X,-6,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_8,"Product IDOURASE_HS2, GlcN2,6diS-IdoA-GlcNAc3S-GlcA-Gal-Gal-Xyl-L-Ser (protein)",C43H64N2O44S3X,-5,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_degr_9,"Product AS6TASE_HS2, GlcN2S-IdoA-GlcNAc3S-GlcA-Gal-Gal-Xyl-L-Ser (protein)",C43H65N2O41S2X,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
hspg_rest,"Undegradable product GALASE_HS, Xyl-L-Ser (protein)",C5H9O4X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
htaxol,"6 Alpha Hydroxy Taxol/ 6 Alpha Hydroxy Paclitaxel",C47H31NO15,0,0,0,,NaN,63859,,"",,htaxol,,NaN,"",htaxol,"",,,MNXM11843,,NaN,,,NDCWHEDPSFRTDA-FJMWQILYSA-N,"InChI=1S/C47H51NO15/c1-24-30(61-43(57)33(51)32(27-16-10-7-11-17-27)48-41(55)28-18-12-8-13-19-28)22-47(58)40(62-42(56)29-20-14-9-15-21-29)36-45(6,38(54)35(60-25(2)49)31(24)44(47,4)5)37(53)34(52)39-46(36,23-59-39)63-26(3)50/h7-21,30,32-37,39-40,51-53,58H,22-23H2,1-6H3,(H,48,55)/t30-,32-,33+,34-,35+,36-,37-,39+,40-,45-,46+,47+/m0/s1",[H]O[C@@]([H])(C(=O)O[C@]1([H])C(=C2[C@@]([H])(OC(=O)C([H])([H])[H])C(=O)[C@]3(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])OC([H])([H])[C@@]4(OC(=O)C([H])([H])[H])[C@@]3([H])[C@]([H])(OC(=O)C3=C([H])C([H])=C([H])C([H])=C3[H])[C@](O[H])(C1([H])[H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
hx2coa,"trans-2-Hexenoyl-CoA",C27H40N7O17P3S,-4,863.661,863.1727232,C05271,5280765,28706,HMDB0003944,"trans-hex-2-enoyl-CoA",hx2coa,hx2coa,FDB023263,4444331,"",hx2coa,"",,cpd03125,MNXM753,,NaN,10018-93-6,DTXSID60331509,OINXHIBNZUUIMR-IXUYQXAASA-J,"InChI=1S/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h6-7,14-16,20-22,26,37-38H,4-5,8-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/b7-6+/t16-,20-,21-,22+,26-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hxa,"Hexanoate (N-C6:0)",C6H11O2,-1,0,0,,NaN,NaN,,"",,hxa,,NaN,"",hxa,"",,cpd01113,MNXM1653,,NaN,,,FUZZWVXGSFPDMH-UHFFFAOYSA-M,"InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
hxal,"Hexanal",C6H12O,0,0,0,,NaN,NaN,HMDB0005994,"",,,,NaN,"",hxal,"",,cpd15611,MNXM8718,,NaN,,,,"",
hxan,"Hypoxanthine",C5H4N4O,0,136.1115,136.0385108,C00262,790,17368,HMDB0000157,"",hxan,hxan,FDB003949,768,"HYPOXANTHINE",hxan,"Hypoxanthine",DBMET00493,cpd00226,MNXM213,C00001502,83,68-94-0,DTXSID8045983,FDGQSTZJBFJUBT-UHFFFAOYSA-N,"InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",[H]N1C([H])=NC2=C1C(=O)N([H])C([H])=N2
hxcoa,"Hexanoyl-CoA",C27H42N7O17P3S,-4,865.677,865.1883733,C05270,440611,27540,HMDB0002845,"hexanoyl-CoA",hxcoa,hxcoa,FDB023074,389509,"1-CARBOXYCYCLOHEXANOYL-COA",hxcoa,"",,cpd03124,MNXM162502,,459,5060-32-2,,OEXFMSFODMQEPE-HDRQGHTBSA-J,"InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/t16-,20-,21-,22+,26-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
hxdcal,"Palmitaldehyde",C16H32O,0,240.4247,240.2453156,C00517,984,17600,HMDB0001551,"",hxdcal,hxdcal,FDB003048,959,"PALMITALDEHYDE",hxdcal,"",,cpd00405,MNXM528,C00007542,6317,629-80-1,DTXSID5042039,NIOYUNMRJMEDGI-UHFFFAOYSA-N,"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3",[H]C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
hyochol,"Hyocholic acid",C24H39O5,-1,408.5714,408.2875744,,NaN,NaN,HMDB0000760,"",,hyochol,FDB022229,NaN,"",,"Muricholic acid",,,,,5728,547-75-1,,DKPMWHFRUGMUKF-KWXDGCAGSA-N,"InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1",
hyptaur,"Hypotaurine",C2H7NO2S,0,109.147,109.0197492,C00519,107812,16668,HMDB0000965,"",hyptaur,hyptaur,FDB022342,96959,"HYPOTAURINE",hyptaur,"",,,MNXM91617,,281,300-84-5,DTXSID8075380,VVIUBCNYACGLLV-UHFFFAOYSA-N,"InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)",[H][N+]([H])([H])C([H])([H])C([H])([H])S([O-])=O
i,"Iodide",I,-1,126.9045,126.9044684,C00708,30165,16382,HMDB0012238,"",i,i,FDB028881,28015,"CPD-387",i,"Iodide",,,MNXM162756,,NaN,20461-54-5,,XMBWDFGMSWQBCA-UHFFFAOYSA-M,"InChI=1S/HI/h1H/p-1",[I-]
i14tca1,"Isotetradecanoyllipoteichoic acid (n=24), linked, unsubstituted",C115H224O135P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15751,,,NaN,,,,"",
i14tcaacgam,"Isotetradecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine",C307H536N24O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15769,,,NaN,,,,"",
i14tcaala_D,"Isotetradecanoyllipoteichoic acid (n=24), linked, D-alanine substituted",C187H320O135N24P24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15778,,,NaN,,,,"",
i14tcaglc,"Isotetradecanoyllipoteichoic acid (n=24), linked, glucose substituted",C259H464O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15760,,,NaN,,,,"",
i15tca1,"Isopentadecanoyllipoteichoic acid (n=24), linked, unsubstituted",C117H228O135P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15752,,,NaN,,,,"",
i15tcaacgam,"Isopentadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine",C309H540N24O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15770,,,NaN,,,,"",
i15tcaala_D,"Isopentadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted",C189H324O135N24P24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15779,,,NaN,,,,"",
i15tcaglc,"Isopentadecanoyllipoteichoic acid (n=24), linked, glucose substituted",C261H468O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15761,,,NaN,,,,"",
i16tca1,"Isohexadecanoyllipoteichoic acid (n=24), linked, unsubstituted",C119H232O135P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15754,,,NaN,,,,"",
i16tcaacgam,"Isohexadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine",C311H544N24O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15772,,,NaN,,,,"",
i16tcaala_D,"Isohexadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted",C191H328O135N24P24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15781,,,NaN,,,,"",
i16tcaglc,"Isohexadecanoyllipoteichoic acid (n=24), linked, glucose substituted",C263H472O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15763,,,NaN,,,,"",
i17tca1,"Isoheptadecanoyllipoteichoic acid (n=24), linked, unsubstituted",C121H236O135P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15749,,,NaN,,,,"",
i17tcaacgam,"Isoheptadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine",C313H548N24O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15767,,,NaN,,,,"",
i17tcaala_D,"Isoheptadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted",C193H332O135N24P24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15776,,,NaN,,,,"",
i17tcaglc,"Isoheptadecanoyllipoteichoic acid (n=24), linked, glucose substituted",C265H476O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15758,,,NaN,,,,"",
iasp,"Iminoaspartate",C4H3NO4,-2,0,0,,NaN,NaN,HMDB0001131,"",,,,NaN,"",iasp,"",,cpd03470,MNXM599,,NaN,,,,"",
ibcoa,"Isobutyryl-CoA",C25H38N7O17P3S,-4,837.624,837.1570732,C00630,3036931,15479,HMDB0001243,"",ibcoa,ibcoa,FDB022508,2300823,"ISOBUTYRYL-COA",ibcoa,"Isobutyryl-CoA",,cpd00481,MNXM470,,6103,15621-60-0,,AEWHYWSPVRZHCT-NDZSKPAWSA-J,"InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,17-,18-,19+,23-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
ibup_R,"Ibuprofen-R",C13H17O2,-1,0,0,C01588,3672,5855,HMDB0001925,"",,,,3544,"",,"Ibuprofen",DB01050,,,,NaN,15687-27-1,,,"",
ibup_S,"Ibuprofen-S",C13H17O2,-1,0,0,D00126,3672,5855,HMDB0001925,"",,,,3544,"",,"Ibuprofen",DB01050,,,,NaN,15687-27-1,,,"",
ibupcoa_R,"Ibuprofen-CoA-R form",C34H48N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
ibupcoa_S,"Ibuprofen-CoA-S form",C34H48N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
ibupgluc,"ibuprofen acyl glucuronide",C19H25O8,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
icdchol,"Isochenodeoxycholic acid; 3beta,7alpha-Dihydroxy-5beta-cholanic acid",C24H39O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
ichor,"Isochorismate",C10H8O6,-2,0,0,,NaN,NaN,,"",,,,NaN,"",ichor,"",,cpd00658,MNXM799,,NaN,,,,"",
icit,"Isocitric acid",C6H5O7,-3,192.1235,192.0270026,C00311,1198,30887,HMDB0000193,"isocitric acid",icit,icit,FDB003281,1161,"threo-d(s)-iso-citrate",icit,"Isocitric acid",DB01727,cpd00260,MNXM89661,,3328,320-77-4,DTXSID10415742,ODBLHEXUDAPZAU-UHFFFAOYSA-K,"InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3",[H]OC([H])(C([O-])=O)C([H])(C([O-])=O)C([H])([H])C([O-])=O
icolipa,"Inner core oligosaccharide lipid A (E coli)",C145H251N2O74P4,-11,0,0,,NaN,NaN,,"",,,,NaN,"",icolipa,"",,cpd15489,MNXM57404,,NaN,,,,"",
icprencoa,"Isocaprenoyl-CoA",C27H40N7O17P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
id3acald,"Indoleacetaldehyde",C10H9NO,0,159.1846,159.0684139,C00637,800,18086,HMDB0001190,"",id3acald,id3acald,FDB013950,778,"INDOLE_ACETALDEHYDE",id3acald,"",,cpd00486,MNXM518,C00000109,6068,2591-98-2,DTXSID90180582,WHOOUMGHGSPMGR-UHFFFAOYSA-N,"InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2",[H]N1C([H])=C(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C([H])=O
idl_hs,"Intermediate Density Lipoprotein",X,0,0,0,,NaN,NaN,,"",,idl_hs,,NaN,"",,"",,,,,NaN,,,,"",
idon_L,"L-Idonate",C6H11O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",idon__L,"",,cpd00573,MNXM1565,,NaN,,,,"",
idour,"Iduronic acid",C6H9O7,-1,194.1394,194.0426527,C06472,18845,24769,HMDB0002704,"",idour,idour,FDB023047,17794,"CPD-12",idour,"Iduronic acid",,,MNXM90841,,3331,3402-98-0,DTXSID90187632,IAJILQKETJEXLJ-SKNVOMKLSA-M,"InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/p-1/t2-,3+,4-,5+/m0/s1",[H]O[C@@]([H])(C([H])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C([O-])=O
idp,"IDP",C10H11N4O11P2,-3,428.1859,428.0134303,C00104,644173,17808,HMDB0003335,"",idp,idp,FDB023146,559208,"IDP",idp,"IDP",,cpd00090,MNXM495,,6892,86-04-4,DTXSID90235329,JPXZQMKKFWMMGK-KQYNXXCUSA-K,"InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/p-3/t4-,6-,7-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC2=C1N=C([H])N([H])C2=O
ihdcoa,"Fa6coa,Iso-C16:0 CoA   Isohexadecanoyl-CoA",C37H62N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11441,,,NaN,,,,"",
ihpdcoa,"Fa11coa, Iso-C17:0 CoA   Isoheptadecanoyl-CoA",C38H64N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11432,,,NaN,,,,"",
ile_L,"L-Isoleucine",C6H13NO2,0,131.1729,131.0946287,C00407,6306,17191,HMDB0000172,"",ile_L,ile_L,FDB012397,6067,"ILE",ile__L,"Ile",,cpd00322,MNXM231,C00001374,5193,73-32-5,DTXSID1047441,AGPKZVBTJJNPAG-WHFBIAKZSA-N,"InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1",[H]C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
ileargile,"Isoleucyl-Arginyl-Isoleucine",C18H37N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ATXGFMOBVKSOMK-PNKMZZHYSA-O,"InChI=1S/C18H36N6O4/c1-5-10(3)13(19)16(26)23-12(8-7-9-22-18(20)21)15(25)24-14(17(27)28)11(4)6-2/h10-14H,5-9,19H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)(H4,20,21,22)/p+1/t10?,11?,12-,13+,14+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
ileasnhis,"Isoleucyl-Asparaginyl-Histidine",C16H26N6O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,IIXDMJNYALIKGP-DUQDJFPFSA-N,"InChI=1S/C16H26N6O5/c1-3-8(2)13(18)15(25)21-10(5-12(17)23)14(24)22-11(16(26)27)4-9-6-19-7-20-9/h6-8,10-11,13H,3-5,18H2,1-2H3,(H2,17,23)(H,19,20)(H,21,25)(H,22,24)(H,26,27)/t8?,10-,11+,13+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1
ileasp,"Isolecyl-Aspartate",C10H17N2O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WKXVAXOSIPTXEC-KVWYPCGYSA-M,"InChI=1S/C10H18N2O5/c1-3-5(2)8(11)9(15)12-6(10(16)17)4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/p-1/t5?,6-,8+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([O-])=O
ileglnglu,"Isolecyl-Glutaminyl-Glutamate",C16H27N4O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HOLOYAZCIHDQNS-XKNZDDLCSA-M,"InChI=1S/C16H28N4O7/c1-3-8(2)13(18)15(25)19-9(4-6-11(17)21)14(24)20-10(16(26)27)5-7-12(22)23/h8-10,13H,3-7,18H2,1-2H3,(H2,17,21)(H,19,25)(H,20,24)(H,22,23)(H,26,27)/p-1/t8?,9-,10+,13+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([O-])=O
ileglyarg,"Isolecyl-Glycyl-Arginine",C14H29N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NHJKZMDIMMTVCK-PCFYAGROSA-O,"InChI=1S/C14H28N6O4/c1-3-8(2)11(15)12(22)19-7-10(21)20-9(13(23)24)5-4-6-18-14(16)17/h8-9,11H,3-7,15H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)(H4,16,17,18)/p+1/t8?,9-,11-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
ileprolys,"Isolecyl-Prolyl-Lysine",C17H33N4O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NLZVTPYXYXMCIP-LNIMBWABSA-O,"InChI=1S/C17H32N4O4/c1-3-11(2)14(19)16(23)21-10-6-8-13(21)15(22)20-12(17(24)25)7-4-5-9-18/h11-14H,3-10,18-19H2,1-2H3,(H,20,22)(H,24,25)/p+1/t11?,12-,13-,14-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
ileserarg,"Isolecyl-Seryl-Arginine",C15H31N6O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JHNJNTMTZHEDLJ-GYIHNLGQSA-O,"InChI=1S/C15H30N6O5/c1-3-8(2)11(16)13(24)21-10(7-22)12(23)20-9(14(25)26)5-4-6-19-15(17)18/h8-11,22H,3-7,16H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)(H4,17,18,19)/p+1/t8?,9-,10+,11-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
iletrptyr,"Isolecyl-Tryptophanyl-Tyrosine",C26H32N4O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MITYXXNZSZLHGG-HCZSUOBMSA-N,"InChI=1S/C26H32N4O5/c1-3-15(2)23(27)25(33)29-21(13-17-14-28-20-7-5-4-6-19(17)20)24(32)30-22(26(34)35)12-16-8-10-18(31)11-9-16/h4-11,14-15,21-23,28,31H,3,12-13,27H2,1-2H3,(H,29,33)(H,30,32)(H,34,35)/t15?,21-,22+,23+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
im4ac,"Imidazoleacetic acid",C5H5N2O2,-1,126.1133,126.0429274,C02835,96215,16974,HMDB0002024,"",im4ac,im4ac,FDB012464,86856,"4-IMIDAZOLEACETATE",im4ac,"",,cpd01831,MNXM1330,,6445,645-65-8,DTXSID50214751,PRJKNHOMHKJCEJ-UHFFFAOYSA-M,"InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)/p-1",[H]N1C([H])=NC(=C1[H])C([H])([H])C([O-])=O
im4act,"Imidazole-4-acetaldehyde",C5H6N2O,0,110.1139,110.0480128,C05130,150841,27398,HMDB0003905,"",im4act,im4act,FDB023247,132948,"",im4act,"",,cpd03052,MNXM1745,,NaN,645-14-7,DTXSID60214747,MQSRGWNVEZRLDK-UHFFFAOYSA-N,"InChI=1S/C5H6N2O/c8-2-1-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)",[H]N1C([H])=NC(=C1[H])C([H])([H])C([H])=O
imacp,"3-(Imidazol-4-yl)-2-oxopropyl phosphate",C6H7N2O5P,-2,0,0,,NaN,NaN,HMDB0012236,"",,,,NaN,"",imacp,"",,cpd00930,MNXM1456,,NaN,,,,"",
imogly,"Iminoglycine",C2H3NO2,0,0,0,C15809,47205134,53647,,"",,,,NaN,"",,"",,cpd14545,,,NaN,,,,"InChI=1S/C2H3NO2/c3-1-2(4)5/h1,3H,(H,4,5)",
imp,"Inosinic acid",C10H11N4O8P,-2,348.206,348.0470999,C00130,8582,17202,HMDB0000175,"",imp,imp,FDB021901,8264,"IMP",imp,"Inosinic acid",,cpd00114,MNXM125,C00007224,5196,131-99-7,DTXSID4044294,GRSZFWQUAKGDAV-KQYNXXCUSA-L,"InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC2=C1N=C([H])N([H])C2=O
ind3ac,"Indoleacetic acid",C10H8NO2,-1,175.184,175.0633285,C00954,802,16411,HMDB0000197,"",ind3ac,ind3ac,FDB000933,780,"",ind3ac,"Indoleacetic acid",DB07950,cpd00703,MNXM383,C00000100,5211,87-51-4,DTXSID5020738,SEOVTRFCIGRIMH-UHFFFAOYSA-M,"InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/p-1",[H]N1C([H])=C(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C([O-])=O
ind3acam,"Indole-3-acetamide",C10H10N2O,0,0,0,,NaN,NaN,HMDB0029739,"",,,,NaN,"",,"",,cpd01747,,,NaN,,,,"",
ind3ppa,"Indole-3-propionate",C11H10NO2,-1,0,0,,3292996,82916,HMDB0002302,"",,,,NaN,"",,"",,,,,NaN,,,,"",
ind56qn,"Indole-5,6-Quinone",C8H5NO2,0,147.1329956,147.0320284,,NaN,NaN,,"",,ind56qn,,NaN,"",,"",,,,,NaN,582-59-2,DTXSID90331517,IGGVVGHJSQSLFO-UHFFFAOYSA-N,"InChI=1S/C8H5NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9H",[H]N1C([H])=C([H])C2=C([H])C(=O)C(=O)C([H])=C12
indacrcoa,"Indoleacrylyl-CoA",C32H39N8O17P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
indlac,"Indolelactate",C11H10NO3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
indlaccoa,"Indolelactyl-CoA",C32H41N8O18P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
indole,"Indole",C8H7N,0,117.1479,117.0578492,C00463,798,16881,HMDB0000738,"",,,FDB012008,776,"INDOLE",indole,"Indole",,cpd00359,MNXM377,C00001418,286,120-72-9,DTXSID5021910,SIKJAQJRHWYJAI-UHFFFAOYSA-N,"InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H",[H]N1C([H])=C([H])C2=C1C([H])=C([H])C([H])=C2[H]
indoxyl,"Indoxyl",C8H6NO,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PCKPVGOLPKLUHR-UHFFFAOYSA-M,"InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H/p-1",[H]N1C([H])=C([O-])C2=C([H])C([H])=C([H])C([H])=C12
indprp,"Indolepropionate",C11H10NO2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
indprpcoa,"Indolepropionyl-CoA",C32H41N8O17P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
indpyr,"Indolepyruvate",C11H8NO3,-1,0,0,,NaN,NaN,HMDB0060484,"",,,,NaN,"",indpyr,"",,cpd00278,MNXM315,,NaN,,,,"",
inds,"Indoxyl Sulfate",C8H6NO4S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BXFFHSIDQOFMLE-UHFFFAOYSA-M,"InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)/p-1",[H]N1C([H])=C(OS([O-])(=O)=O)C2=C([H])C([H])=C([H])C([H])=C12
inost,"myo-Inositol",C6H12O6,0,180.1559,180.0633881,C00137,892,17268,HMDB0000211,"",inost,inost,FDB010547,10239179,"MYO-INOSITOL",inost,"MI",,cpd00121,MNXM127,C00001164,5221,87-89-8,DTXSID7023146,CDAISMWEOUEBRE-GPIVLXJGSA-N,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-",[H]O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H]
ins,"Inosine",C10H12N4O5,0,268.2261,268.0807695,C00294,6021,17596,HMDB0000195,"",ins,ins,FDB011802,5799,"INOSINE",ins,"Inosine",DB04335,cpd00246,MNXM334,C00019692,84,58-63-9,DTXSID2045993,UGQMRVRMYYASKQ-KQYNXXCUSA-N,"InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1",[H]OC1=C2N=C([H])N(C2=NC([H])=N1)[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
inulin,"Inulin",C180H302O151,0,6179.373,6176.017855,C03323,24763,15443,HMDB0014776,"",,,,23149,"",,"Inulin",DB00638,,,,NaN,9005-80-5,DTXSID70872610,JYJIGFIDKWBXDU-UHFFFAOYSA-N,"",
iodine,"Iodine",I2,0,253.8089,253.8089368,C01382,807,17606,HMDB0000675,"",iodine,iodine,FDB003635,785,"IODINE-MOLECULE",iodine,"Iodine",,,MNXM945,,NaN,7553-56-2,DTXSID7034672,PNDPGZBMCMUPRI-UHFFFAOYSA-N,"InChI=1S/I2/c1-2",II
ipdcoa,"Fa3coa,Iso-C15:0 CoA   Isopentadecanoyl-CoA",C36H60N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11437,,,NaN,,,,"",
ipdp,"Isopentenyl pyrophosphate",C5H9O7P2,-3,246.0921,246.0058258,C00129,1195,16584,HMDB0001347,"",ipdp,ipdp,FDB022569,1158,"",ipdp,"Isopentenyl pyrophosphate",,cpd00113,MNXM83,C00000848,6181,358-71-4,,NUHSROFQTUXZQQ-UHFFFAOYSA-K,"InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)/p-3",[H]C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O
isetac,"Isethionic acid",C2H5O4S,-1,0,0,,NaN,NaN,HMDB0003903,"",,,,NaN,"",isetac,"",,cpd03048,MNXM1630,,NaN,,,,"",
isobut,"Isobutyric acid",C4H7O2,-1,88.1051,88.0524295,C02632,6590,16135,HMDB0001873,"",,,FDB003277,6341,"ISOBUTANOATE",,"Isobutyric acid",DB02531,cpd01711,,C00029462,106,79-31-2,DTXSID4021636,KQNPFQTWMSNSAP-UHFFFAOYSA-N,"",
isocapr,"Isocaproic acid",C6H11O2,-1,0,0,,12587,74903,HMDB0000689,"",,,FDB008206,12067,"",,"",,,,,4191,,,,"",
isocaprcoa,"Isocaproyl-CoA",C27H42N7O17P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
isochol,"Isochenodeoxycholic acid; 3beta,7alpha,12alpha-Trihydroxy-5beta-cholanic acid",C24H39O5,-1,0,0,C17660,164673,NaN,HMDB0000361,"",,,,144359,"",,"",,,,,5350,566-24-5,,,"",
isolvstacid,"3'-Hydroxy-Iso-Delta-4',5'-Hydroxy Lovastatin (Acid Form)",C24H37O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
isomal,"Isomaltose",C12H22O11,0,342.2965,342.1162115,C00252,439193,28189,HMDB0002923,"",,isomal,FDB001220,388333,"CPD-1243",isomal,"Isomaltose",,cpd00217,MNXM58018,C00018660,412,499-40-1,,DLRVVLDZNNYCBX-RTPHMHGBSA-N,"InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1",
isoval,"Isovaleric acid",C5H9O2,-1,102.1317,102.0680796,C08262,10430,28484,HMDB0000718,"",,,FDB001324,10001,"",,"Isovaleric acid",DB03750,,,C00001189,109,503-74-2,DTXSID5029182,GWYFCOCPABKNJV-UHFFFAOYSA-N,"",
ispre,"Isoprene",C5H8,0,0,0,C16521,6557,35194,,"",,,,6309,"",,"Isoprene",,cpd16336,,C00046784,NaN,78-79-5,,,"",
itaccoa,"Itaconyl-CoA",C26H35N7O19P3S,-5,879.618,879.1312524,C00531,439254,15528,HMDB0003377,"",itaccoa,itaccoa,FDB023158,388390,"3-METHYLPHENYLITACONYL-COA",itaccoa,"",,cpd00416,MNXM1671,,NaN,6008-93-1,,NFVGYLGSSJPRKW-CITAKDKDSA-I,"InChI=1S/C26H40N7O19P3S/c1-13(25(39)40)8-16(35)56-7-6-28-15(34)4-5-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-12,14,18-20,24,36-37H,1,4-10H2,2-3H3,(H,28,34)(H,29,38)(H,39,40)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/t14-,18-,19-,20+,24-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=C([H])[H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
itacon,"Itaconic acid",C5H4O4,-2,130.0987,130.0266087,C00490,811,30838,HMDB0002092,"",itacon,itacon,FDB012645,789,"ITACONATE",itacon,"Itaconic acid",,cpd00380,MNXM1747,C00033964,6483,97-65-4,DTXSID2026608,LVHBHZANLOWSRM-UHFFFAOYSA-L,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)/p-2",[H]C([H])=C(C([O-])=O)C([H])([H])C([O-])=O
itdcoa,"Fa1coa,Iso-C14:0 CoA   Isotetradecanoyl-CoA",C35H58N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11435,,,NaN,,,,"",
itp,"Inosine triphosphate",C10H11N4O14P3,-4,508.1658,507.9797607,C00081,8583,16039,HMDB0000189,"",itp,itp,FDB021902,8265,"ITP",itp,"ITP",,cpd00068,MNXM423,,5204,132-06-9,DTXSID8074499,HAEJPQIATWHALX-KQYNXXCUSA-J,"InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/p-4/t4-,6-,7-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC2=C1N=C([H])N([H])C2=O
ivcoa,"Isovaleryl-CoA",C26H40N7O17P3S,-4,851.651,851.1727232,C02939,439855,15487,HMDB0001113,"",ivcoa,ivcoa,FDB022430,388897,"ISOVALERYL-COA",ivcoa,"Isovaleryl-coenzyme A",,cpd01882,MNXM471,,451,6244-91-3,,UYVZIWWBJMYRCD-VZEICDQOSA-J,"InChI=1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,19-,20-,21+,25-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
ivcrn,"Isovaleryl Carnitine",C12H23NO4,0,0,0,,6426851,73025,HMDB0000688,"",ivcrn,ivcrn,FDB022183,4932271,"",ivcrn,"",,,MNXM105848,,5657,,,IGQBPDJNUXPEMT-UHFFFAOYSA-N,"InChI=1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3",[H]C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
k,"Potassium",K,1,39.0983,38.96370686,C00238,NaN,26216,HMDB0000586,"K+",k,k,FDB003521,NaN,"K%2b",k,"Potassium",,cpd00205,MNXM95,,3197,,DTXSID9049748,NPYPAHLBTDXSSS-UHFFFAOYSA-N,"InChI=1S/K/q+1",[K+]
kdn,"3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid",C9H15O9,-1,268.2179,268.0794321,,22833524,NaN,HMDB0000425,"",kdn,kdn,FDB022038,17215951,"",kdn,"KDN",,,MNXM9849,,5414,22594-61-2,,FQHUAUMYHAJTDH-IMSDGWMTSA-M,"InChI=1S/C9H16O9/c10-2-5(13)7(15)8(16)6(14)3(11)1-4(12)9(17)18/h3,5-8,10-11,13-16H,1-2H2,(H,17,18)/p-1/t3-,5-,6+,7+,8+/m0/s1",[H]OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])C(=O)C([O-])=O
kdnp,"2-Keto-3-Deoxy-D-Glycero-D-Galactononic Acid 9-Phosphate",C9H14O12P,-3,0,0,,NaN,NaN,,"",kdnp,kdnp,,NaN,"",kdnp,"",,,MNXM9850,,NaN,,,ONDNEVXIOCSZAT-IMSDGWMTSA-K,"InChI=1S/C9H17O12P/c10-3(1-4(11)9(16)17)6(13)8(15)7(14)5(12)2-21-22(18,19)20/h3,5-8,10,12-15H,1-2H2,(H,16,17)(H2,18,19,20)/p-3/t3-,5-,6+,7+,8+/m0/s1",[H]O[C@@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])C(=O)C([O-])=O
kdo,"3-Deoxy-D-manno-2-octulosonate",C8H13O8,-1,0,0,,NaN,NaN,,"",,,,NaN,"",kdo,"",,cpd00875,MNXM36403,,NaN,,,,"",
kdo2lipid4,"KDO(2)-lipid IV(A)",C84H148N2O37P2,-6,0,0,,NaN,NaN,,"",,,,NaN,"",kdo2lipid4,"",,cpd03586,MNXM824,,NaN,,,,"",
kdo2lipid4L,"KDO(2)-lipid IV(A) with laurate",C96H170N2O38P2,-6,0,0,,NaN,NaN,,"",,,,NaN,"",kdo2lipid4L,"",,cpd03736,MNXM1870,,NaN,,,,"",
kdo8p,"3-Deoxy-D-manno-octulosonate 8-phosphate",C8H12O11P,-3,0,0,,NaN,NaN,,"",,,,NaN,"",kdo8p,"",,cpd02730,MNXM146080,,NaN,,,,"",
kdolipid4,"KDO-lipid IV(A)",C76H137N2O30P2,-5,0,0,,NaN,NaN,,"",,,,NaN,"",kdolipid4,"",,cpd03585,MNXM1206,,NaN,,,,"",
kesto,"Kestose (2 fru, 1 glc inulin-type fructo-oligosaccharide)",C18H32O16,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
kestopt,"Kestopentaose (4 fru, 1 glc inulin-type fructo-oligosaccharide)",C30H52O26,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
kestottr,"Kestotetraose (3 fru, 1 glc inulin-type fructo-oligosaccharide)",C24H42O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
kphphhlipa,"Kdo-phospho-heptosyl-phospho-heptosyl-heptosyl-kdo2-lipidA",C139H241N2O70P4,-11,0,0,,NaN,NaN,,"",,,,NaN,"",kphphhlipa,"",,cpd15492,MNXM58984,,NaN,,,,"",
ksi,"Keratan",C247H393N17O213S12X,-13,1052.935,1052.1073,C00573,446715,NaN,HMDB0001165,"",ksi,ksi,FDB022459,394000,"KERATAN",ksi,"keratan sulfate",,,MNXM6303,,NaN,69992-87-6,,KXCLCNHUUKTANI-RBIYJLQWSA-N,"InChI=1S/C28H48N2O32S4/c1-8(31)29-15-11(33)3-10(4-52-63(40,41)42)56-26(15)62-24-18(35)13(6-54-65(46,47)48)58-28(21(24)38)60-22-14(7-55-66(49,50)51)59-27(16(19(22)36)30-9(2)32)61-23-17(34)12(5-53-64(43,44)45)57-25(39)20(23)37/h10-28,33-39H,3-7H2,1-2H3,(H,29,31)(H,30,32)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t10-,11-,12+,13+,14+,15+,16+,17-,18-,19+,20+,21+,22+,23-,24-,25+,26-,27-,28-/m0/s1",[H]OC(=N[C@@]1([H])[C@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(N=C(O[H])C([H])([H])[H])[C@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[H])O[C@]([H])(C([H])([H])OS(=O)(=O)O[H])[C@]4([H])O[H])O[C@]3([H])C([H])([H])OS(=O)(=O)O[H])O[C@]([H])(C([H])([H])OS(=O)(=O)O[H])[C@]2([H])O[H])O[C@]([H])(C([H])([H])OS(=O)(=O)O[H])C([H])([H])[C@]1([H])O[H])C([H])([H])[H]
ksi_deg1,"Keratan Sulfate I, Degradation Product 1",C241H383N17O209S12X,-13,0,0,,NaN,NaN,,"",ksi_deg1,ksi_deg1,,NaN,"",ksi_deg1,"",,,MNXM8784,,NaN,,,,"",
ksi_deg10,"Keratan Sulfate I, Degradation Product 10",C188H302N13O163S9,-9,0,0,,NaN,NaN,,"",ksi_deg10,ksi_deg10,,NaN,"",ksi_deg10,"",,,MNXM11981,,NaN,,,,"",
ksi_deg11,"Keratan Sulfate I, Degradation Product 11",C180H289N12O158S9,-9,0,0,,NaN,NaN,,"",ksi_deg11,ksi_deg11,,NaN,"",ksi_deg11,"",,,MNXM8785,,NaN,,,,"",
ksi_deg12,"Keratan Sulfate I, Degradation Product 12",C174H279N12O153S9,-9,0,0,,NaN,NaN,,"",ksi_deg12,ksi_deg12,,NaN,"",ksi_deg12,"",,,MNXM8786,,NaN,,,,"",
ksi_deg13,"Keratan Sulfate I, Degradation Product 13",C174H280N12O150S8,-8,0,0,,NaN,NaN,,"",ksi_deg13,ksi_deg13,,NaN,"",ksi_deg13,"",,,MNXM11982,,NaN,,,,"",
ksi_deg14,"Keratan Sulfate I, Degradation Product 14",C166H267N11O145S8,-8,0,0,,NaN,NaN,,"",ksi_deg14,ksi_deg14,,NaN,"",ksi_deg14,"",,,MNXM8787,,NaN,,,,"",
ksi_deg15,"Keratan Sulfate I, Degradation Product 15",C160H257N11O140S8,-8,0,0,,NaN,NaN,,"",ksi_deg15,ksi_deg15,,NaN,"",ksi_deg15,"",,,MNXM8788,,NaN,,,,"",
ksi_deg16,"Keratan Sulfate I, Degradation Product 16",C160H258N11O137S7,-7,0,0,,NaN,NaN,,"",ksi_deg16,ksi_deg16,,NaN,"",ksi_deg16,"",,,MNXM11983,,NaN,,,,"",
ksi_deg17,"Keratan Sulfate I, Degradation Product 17",C152H245N10O132S7,-7,0,0,,NaN,NaN,,"",ksi_deg17,ksi_deg17,,NaN,"",ksi_deg17,"",,,MNXM8789,,NaN,,,,"",
ksi_deg18,"Keratan Sulfate I, Degradation Product 18",C146H235N10O127S7,-7,0,0,,NaN,NaN,,"",ksi_deg18,ksi_deg18,,NaN,"",ksi_deg18,"",,,MNXM8790,,NaN,,,,"",
ksi_deg19,"Keratan Sulfate I, Degradation Product 19",C146H236N10O124S6,-6,0,0,,NaN,NaN,,"",ksi_deg19,ksi_deg19,,NaN,"",ksi_deg19,"",,,MNXM11984,,NaN,,,,"",
ksi_deg2,"Keratan Sulfate I, Degradation Product 2",C241H384N17O210S12,-13,0,0,,NaN,NaN,,"",ksi_deg2,ksi_deg2,,NaN,"",ksi_deg2,"",,,MNXM11985,,NaN,,,,"",
ksi_deg20,"Keratan Sulfate I, Degradation Product 20",C138H223N9O119S6,-6,0,0,,NaN,NaN,,"",ksi_deg20,ksi_deg20,,NaN,"",ksi_deg20,"",,,MNXM8791,,NaN,,,,"",
ksi_deg21,"Keratan Sulfate I, Degradation Product 21",C132H213N9O114S6,-6,0,0,,NaN,NaN,,"",ksi_deg21,ksi_deg21,,NaN,"",ksi_deg21,"",,,MNXM8792,,NaN,,,,"",
ksi_deg22,"Keratan Sulfate I, Degradation Product 22",C132H214N9O111S5,-5,0,0,,NaN,NaN,,"",ksi_deg22,ksi_deg22,,NaN,"",ksi_deg22,"",,,MNXM11986,,NaN,,,,"",
ksi_deg23,"Keratan Sulfate I, Degradation Product 23",C124H201N8O106S5,-5,0,0,,NaN,NaN,,"",ksi_deg23,ksi_deg23,,NaN,"",ksi_deg23,"",,,MNXM8793,,NaN,,,,"",
ksi_deg24,"Keratan Sulfate I, Degradation Product 24",C118H191N8O101S5,-5,0,0,,NaN,NaN,,"",ksi_deg24,ksi_deg24,,NaN,"",ksi_deg24,"",,,MNXM8794,,NaN,,,,"",
ksi_deg25,"Keratan Sulfate I, Degradation Product 25",C118H192N8O98S4,-4,0,0,,NaN,NaN,,"",ksi_deg25,ksi_deg25,,NaN,"",ksi_deg25,"",,,MNXM11987,,NaN,,,,"",
ksi_deg26,"Keratan Sulfate I, Degradation Product 26",C110H179N7O93S4,-4,0,0,,NaN,NaN,,"",ksi_deg26,ksi_deg26,,NaN,"",ksi_deg26,"",,,MNXM8795,,NaN,,,,"",
ksi_deg27,"Keratan Sulfate I, Degradation Product 27",C104H169N7O88S4,-4,0,0,,NaN,NaN,,"",ksi_deg27,ksi_deg27,,NaN,"",ksi_deg27,"",,,MNXM8796,,NaN,,,,"",
ksi_deg28,"Keratan Sulfate I, Degradation Product 28",C104H170N7O85S3,-3,0,0,,NaN,NaN,,"",ksi_deg28,ksi_deg28,,NaN,"",ksi_deg28,"",,,MNXM11988,,NaN,,,,"",
ksi_deg29,"Keratan Sulfate I, Degradation Product 29",C96H157N6O80S3,-3,0,0,,NaN,NaN,,"",ksi_deg29,ksi_deg29,,NaN,"",ksi_deg29,"",,,MNXM8797,,NaN,,,,"",
ksi_deg3,"Keratan Sulfate I, Degradation Product 3",C233H371N16O205S12,-13,0,0,,NaN,NaN,,"",ksi_deg3,ksi_deg3,,NaN,"",ksi_deg3,"",,,MNXM11989,,NaN,,,,"",
ksi_deg30,"Keratan Sulfate I, Degradation Product 30",C90H147N6O75S3,-3,0,0,,NaN,NaN,,"",ksi_deg30,ksi_deg30,,NaN,"",ksi_deg30,"",,,MNXM8798,,NaN,,,,"",
ksi_deg31,"Keratan Sulfate I, Degradation Product 31",C90H148N6O72S2,-2,0,0,,NaN,NaN,,"",ksi_deg31,ksi_deg31,,NaN,"",ksi_deg31,"",,,MNXM11990,,NaN,,,,"",
ksi_deg32,"Keratan Sulfate I, Degradation Product 32",C82H135N5O67S2,-2,0,0,,NaN,NaN,,"",ksi_deg32,ksi_deg32,,NaN,"",ksi_deg32,"",,,MNXM8799,,NaN,,,,"",
ksi_deg33,"Keratan Sulfate I, Degradation Product 33",C76H125N5O62S2,-2,0,0,,NaN,NaN,,"",ksi_deg33,ksi_deg33,,NaN,"",ksi_deg33,"",,,MNXM8800,,NaN,,,,"",
ksi_deg34,"Keratan Sulfate I, Degradation Product 34",C76H126N5O59S1,-1,0,0,,NaN,NaN,,"",ksi_deg34,ksi_deg34,,NaN,"",ksi_deg34,"",,,MNXM11991,,NaN,,,,"",
ksi_deg35,"Keratan Sulfate I, Degradation Product 35",C68H113N4O54S1,-1,0,0,,NaN,NaN,,"",ksi_deg35,ksi_deg35,,NaN,"",ksi_deg35,"",,,MNXM8801,,NaN,,,,"",
ksi_deg36,"Keratan Sulfate I, Degradation Product 36",C62H103N4O49S1,-1,0,0,,NaN,NaN,,"",ksi_deg36,ksi_deg36,,NaN,"",ksi_deg36,"",,,MNXM8802,,NaN,,,,"",
ksi_deg37,"Keratan Sulfate I, Degradation Product 37",C62H104N4O46,0,0,0,,NaN,NaN,,"",ksi_deg37,ksi_deg37,,NaN,"",ksi_deg37,"",,,MNXM11992,,NaN,,,,"",
ksi_deg38,"Keratan Sulfate I, Degradation Product 38",C54H91N3O41,0,0,0,,NaN,NaN,,"",ksi_deg38,ksi_deg38,,NaN,"",ksi_deg38,"",,,MNXM8803,,NaN,,,,"",
ksi_deg39,"Keratan Sulfate I, Degradation Product 39",C48H81N3O36,0,0,0,,NaN,NaN,,"",ksi_deg39,ksi_deg39,,NaN,"",ksi_deg39,"",,,MNXM11993,,NaN,,,,"",
ksi_deg4,"Keratan Sulfate I, Degradation Product 4",C222H355N15O197S12,-12,0,0,,NaN,NaN,,"",ksi_deg4,ksi_deg4,,NaN,"",ksi_deg4,"",,,MNXM11994,,NaN,,,,"",
ksi_deg40,"Keratan Sulfate I, Degradation Product 40",C40H68N2O31,0,0,0,,NaN,NaN,,"",ksi_deg40,ksi_deg40,,NaN,"",ksi_deg40,"",,,MNXM11995,,NaN,,,,"",
ksi_deg41,"Keratan Sulfate I, Degradation Product 41",C34H58N2O26,0,0,0,,NaN,NaN,,"",ksi_deg41,ksi_deg41,,NaN,"",ksi_deg41,"",,,MNXM11996,,NaN,,,,"",
ksi_deg5,"Keratan Sulfate I, Degradation Product 5",C222H356N15O194S11,-11,0,0,,NaN,NaN,,"",ksi_deg5,ksi_deg5,,NaN,"",ksi_deg5,"",,,MNXM11997,,NaN,,,,"",
ksi_deg6,"Keratan Sulfate I, Degradation Product 6",C210H336N15O184S11,-11,0,0,,NaN,NaN,,"",ksi_deg6,ksi_deg6,,NaN,"",ksi_deg6,"",,,MNXM8804,,NaN,,,,"",
ksi_deg7,"Keratan Sulfate I, Degradation Product 7",C210H337N15O181S10,-10,0,0,,NaN,NaN,,"",ksi_deg7,ksi_deg7,,NaN,"",ksi_deg7,"",,,MNXM11998,,NaN,,,,"",
ksi_deg8,"Keratan Sulfate I, Degradation Product 8",C194H311N13O171S10,-10,0,0,,NaN,NaN,,"",ksi_deg8,ksi_deg8,,NaN,"",ksi_deg8,"",,,MNXM8805,,NaN,,,,"",
ksi_deg9,"Keratan Sulfate I, Degradation Product 9",C188H301N13O166S10,-10,0,0,,NaN,NaN,,"",ksi_deg9,ksi_deg9,,NaN,"",ksi_deg9,"",,,MNXM8806,,NaN,,,,"",
ksi_pre1,"Keratan Sulfate I Biosynthesis, Precursor 1",C79H129N5O57X,-1,0,0,,NaN,NaN,,"",ksi_pre1,,,NaN,"",ksi_pre1,"",,,MNXM11945,,NaN,,,,"",
ksi_pre10,"Keratan Sulfate I Biosynthesis, Precursor 10",C129H209N9O98S2X,-3,0,0,,NaN,NaN,,"",ksi_pre10,,,NaN,"",ksi_pre10,"",,,MNXM11946,,NaN,,,,"",
ksi_pre11,"Keratan Sulfate I Biosynthesis, Precursor 11",C129H208N9O101S3X,-4,0,0,,NaN,NaN,,"",ksi_pre11,,,NaN,"",ksi_pre11,"",,,MNXM11947,,NaN,,,,"",
ksi_pre12,"Keratan Sulfate I Biosynthesis, Precursor 12",C135H218N9O106S3X,-4,0,0,,NaN,NaN,,"",ksi_pre12,,,NaN,"",ksi_pre12,"",,,MNXM11948,,NaN,,,,"",
ksi_pre13,"Keratan Sulfate I Biosynthesis, Precursor 13",C143H231N10O111S3X,-4,0,0,,NaN,NaN,,"",ksi_pre13,,,NaN,"",ksi_pre13,"",,,MNXM11949,,NaN,,,,"",
ksi_pre14,"Keratan Sulfate I Biosynthesis, Precursor 14",C143H230N10O114S4X,-5,0,0,,NaN,NaN,,"",ksi_pre14,,,NaN,"",ksi_pre14,"",,,MNXM11950,,NaN,,,,"",
ksi_pre15,"Keratan Sulfate I Biosynthesis, Precursor 15",C149H240N10O119S4X,-5,0,0,,NaN,NaN,,"",ksi_pre15,,,NaN,"",ksi_pre15,"",,,MNXM11951,,NaN,,,,"",
ksi_pre16,"Keratan Sulfate I Biosynthesis, Precursor 16",C157H253N11O124S4X,-5,0,0,,NaN,NaN,,"",ksi_pre16,,,NaN,"",ksi_pre16,"",,,MNXM11952,,NaN,,,,"",
ksi_pre17,"Keratan Sulfate I Biosynthesis, Precursor 17",C157H252N11O127S5X,-6,0,0,,NaN,NaN,,"",ksi_pre17,,,NaN,"",ksi_pre17,"",,,MNXM11953,,NaN,,,,"",
ksi_pre18,"Keratan Sulfate I Biosynthesis, Precursor 18",C163H262N11O132S5X,-6,0,0,,NaN,NaN,,"",ksi_pre18,,,NaN,"",ksi_pre18,"",,,MNXM11954,,NaN,,,,"",
ksi_pre19,"Keratan Sulfate I Biosynthesis, Precursor 19",C171H275N12O137S5X,-6,0,0,,NaN,NaN,,"",ksi_pre19,,,NaN,"",ksi_pre19,"",,,MNXM11955,,NaN,,,,"",
ksi_pre2,"Keratan Sulfate I Biosynthesis, Precursor 2",C87H142N6O62X,-1,0,0,,NaN,NaN,,"",ksi_pre2,,,NaN,"",ksi_pre2,"",,,MNXM11956,,NaN,,,,"",
ksi_pre20,"Keratan Sulfate I Biosynthesis, Precursor 20",C171H274N12O140S6X,-7,0,0,,NaN,NaN,,"",ksi_pre20,,,NaN,"",ksi_pre20,"",,,MNXM11957,,NaN,,,,"",
ksi_pre21,"Keratan Sulfate I Biosynthesis, Precursor 21",C177H284N12O145S6X,-7,0,0,,NaN,NaN,,"",ksi_pre21,,,NaN,"",ksi_pre21,"",,,MNXM11958,,NaN,,,,"",
ksi_pre22,"Keratan Sulfate I Biosynthesis, Precursor 22",C185H297N13O150S6X,-7,0,0,,NaN,NaN,,"",ksi_pre22,,,NaN,"",ksi_pre22,"",,,MNXM11959,,NaN,,,,"",
ksi_pre23,"Keratan Sulfate I Biosynthesis, Precursor 23",C185H296N13O153S7X,-8,0,0,,NaN,NaN,,"",ksi_pre23,,,NaN,"",ksi_pre23,"",,,MNXM11960,,NaN,,,,"",
ksi_pre24,"Keratan Sulfate I Biosynthesis, Precursor 24",C191H306N13O158S7X,-8,0,0,,NaN,NaN,,"",ksi_pre24,,,NaN,"",ksi_pre24,"",,,MNXM11961,,NaN,,,,"",
ksi_pre25,"Keratan Sulfate I Biosynthesis, Precursor 25",C199H319N14O163S7X,-8,0,0,,NaN,NaN,,"",ksi_pre25,,,NaN,"",ksi_pre25,"",,,MNXM11962,,NaN,,,,"",
ksi_pre26,"Keratan Sulfate I Biosynthesis, Precursor 26",C199H318N14O166S8X,-9,0,0,,NaN,NaN,,"",ksi_pre26,,,NaN,"",ksi_pre26,"",,,MNXM11963,,NaN,,,,"",
ksi_pre27,"Keratan Sulfate I Biosynthesis, Precursor 27",C205H328N14O171S8X,-9,0,0,,NaN,NaN,,"",ksi_pre27,,,NaN,"",ksi_pre27,"",,,MNXM11964,,NaN,,,,"",
ksi_pre28,"Keratan Sulfate I Biosynthesis, Precursor 28",C213H341N15O176S8X,-9,0,0,,NaN,NaN,,"",ksi_pre28,,,NaN,"",ksi_pre28,"",,,MNXM11965,,NaN,,,,"",
ksi_pre29,"Keratan Sulfate I Biosynthesis, Precursor 29",C213H340N15O179S9X,-10,0,0,,NaN,NaN,,"",ksi_pre29,,,NaN,"",ksi_pre29,"",,,MNXM11966,,NaN,,,,"",
ksi_pre3,"Keratan Sulfate I Biosynthesis, Precursor 3",C93H152N6O67X,-1,0,0,,NaN,NaN,,"",ksi_pre3,,,NaN,"",ksi_pre3,"",,,MNXM11967,,NaN,,,,"",
ksi_pre30,"Keratan Sulfate I Biosynthesis, Precursor 30",C219H350N15O184S9X,-10,0,0,,NaN,NaN,,"",ksi_pre30,,,NaN,"",ksi_pre30,"",,,MNXM11968,,NaN,,,,"",
ksi_pre31,"Keratan Sulfate I Biosynthesis, Precursor 31",C227H363N16O189S9X,-10,0,0,,NaN,NaN,,"",ksi_pre31,,,NaN,"",ksi_pre31,"",,,MNXM11969,,NaN,,,,"",
ksi_pre32,"Keratan Sulfate I Biosynthesis, Precursor 32",C227H362N16O192S10X,-11,0,0,,NaN,NaN,,"",ksi_pre32,,,NaN,"",ksi_pre32,"",,,MNXM11970,,NaN,,,,"",
ksi_pre33,"Keratan Sulfate I Biosynthesis, Precursor 33",C233H372N16O197S10X,-11,0,0,,NaN,NaN,,"",ksi_pre33,,,NaN,"",ksi_pre33,"",,,MNXM11971,,NaN,,,,"",
ksi_pre34,"Keratan Sulfate I Biosynthesis, Precursor 34",C241H385N17O202S10X,-11,0,0,,NaN,NaN,,"",ksi_pre34,,,NaN,"",ksi_pre34,"",,,MNXM11972,,NaN,,,,"",
ksi_pre35,"Keratan Sulfate I Biosynthesis, Precursor 35",C241H384N17O205S11X,-12,0,0,,NaN,NaN,,"",ksi_pre35,,,NaN,"",ksi_pre35,"",,,MNXM11973,,NaN,,,,"",
ksi_pre36,"Keratan Sulfate I Biosynthesis, Precursor 36",C247H394N17O210S11X,-12,0,0,,NaN,NaN,,"",ksi_pre36,,,NaN,"",ksi_pre36,"",,,MNXM11974,,NaN,,,,"",
ksi_pre4,"Keratan Sulfate I Biosynthesis, Precursor 4",C101H165N7O72X,-1,0,0,,NaN,NaN,,"",ksi_pre4,,,NaN,"",ksi_pre4,"",,,MNXM11975,,NaN,,,,"",
ksi_pre5,"Keratan Sulfate I Biosynthesis, Precursor 5",C101H164N7O75SX,-2,0,0,,NaN,NaN,,"",ksi_pre5,,,NaN,"",ksi_pre5,"",,,MNXM11976,,NaN,,,,"",
ksi_pre6,"Keratan Sulfate I Biosynthesis, Precursor 6",C107H174N7O80SX,-2,0,0,,NaN,NaN,,"",ksi_pre6,,,NaN,"",ksi_pre6,"",,,MNXM11977,,NaN,,,,"",
ksi_pre7,"Keratan Sulfate I Biosynthesis, Precursor 7",C115H187N8O85SX,-2,0,0,,NaN,NaN,,"",ksi_pre7,,,NaN,"",ksi_pre7,"",,,MNXM11978,,NaN,,,,"",
ksi_pre8,"Keratan Sulfate I Biosynthesis, Precursor 8",C115H186N8O88S2X,-3,0,0,,NaN,NaN,,"",ksi_pre8,,,NaN,"",ksi_pre8,"",,,MNXM11979,,NaN,,,,"",
ksi_pre9,"Keratan Sulfate I Biosynthesis, Precursor 9",C121H196N8O93S2X,-3,0,0,,NaN,NaN,,"",ksi_pre9,,,NaN,"",ksi_pre9,"",,,MNXM11980,,NaN,,,,"",
ksii_core2,"Keratan Sulfate Ii (Core 2-Linked)",C81H129N6O67S3X,-4,0,0,,NaN,NaN,,"",ksii_core2,ksii_core2,,NaN,"",ksii_core2,"",,,MNXM7463,,NaN,,,,"",
ksii_core2_deg1,"Keratan Sulfate Ii (Core 2-Linked), Degradation Product 1",C70H113N5O59S3X,-3,0,0,,NaN,NaN,,"",ksii_core2_deg1,ksii_core2_deg1,,NaN,"",ksii_core2_deg1,"",,,MNXM11999,,NaN,,,,"",
ksii_core2_deg2,"Keratan Sulfate Ii (Core 2-Linked), Degradation Product 2",C70H114N5O56S2X,-2,0,0,,NaN,NaN,,"",ksii_core2_deg2,ksii_core2_deg2,,NaN,"",ksii_core2_deg2,"",,,MNXM12000,,NaN,,,,"",
ksii_core2_deg3,"Keratan Sulfate Ii (Core 2-Linked), Degradation Product 3",C58H94N5O46S2X,-2,0,0,,NaN,NaN,,"",ksii_core2_deg3,ksii_core2_deg3,,NaN,"",ksii_core2_deg3,"",,,MNXM8807,,NaN,,,,"",
ksii_core2_deg4,"Keratan Sulfate Ii (Core 2-Linked), Degradation Product 4",C58H95N5O43SX,-1,0,0,,NaN,NaN,,"",ksii_core2_deg4,ksii_core2_deg4,,NaN,"",ksii_core2_deg4,"",,,MNXM12001,,NaN,,,,"",
ksii_core2_deg5,"Keratan Sulfate Ii (Core 2-Linked), Degradation Product 5",C50H82N4O38SX,-1,0,0,,NaN,NaN,,"",ksii_core2_deg5,ksii_core2_deg5,,NaN,"",ksii_core2_deg5,"",,,MNXM6304,,NaN,,,,"",
ksii_core2_deg6,"Keratan Sulfate Ii (Core 2-Linked), Degradation Product 6",C44H72N4O33SX,-1,0,0,,NaN,NaN,,"",ksii_core2_deg6,ksii_core2_deg6,,NaN,"",ksii_core2_deg6,"",,,MNXM8808,,NaN,,,,"",
ksii_core2_deg7,"Keratan Sulfate Ii (Core 2-Linked), Degradation Product 7",C44H73N4O30X,0,0,0,,NaN,NaN,,"",ksii_core2_deg7,ksii_core2_deg7,,NaN,"",ksii_core2_deg7,"",,,MNXM12002,,NaN,,,,"",
ksii_core2_deg8,"Keratan Sulfate Ii (Core 2-Linked), Degradation Product 8",C36H60N3O25X,0,0,0,,NaN,NaN,,"",ksii_core2_deg8,ksii_core2_deg8,,NaN,"",ksii_core2_deg8,"",,,MNXM8809,,NaN,,,,"",
ksii_core2_deg9,"Keratan Sulfate Ii (Core 2-Linked), Degradation Product 9",C30H50N3O20X,0,0,0,,NaN,NaN,,"",ksii_core2_deg9,ksii_core2_deg9,,NaN,"",ksii_core2_deg9,"",,,MNXM12003,,NaN,,,,"",
ksii_core2_pre1,"Keratan Sulfate Ii Biosynthesis, Precursor 1",C33H53N3O23X,-1,0,0,,NaN,NaN,,"",ksii_core2_pre1,ksii_core2_pre1,,NaN,"",ksii_core2_pre1,"",,,MNXM12007,,NaN,,,,"",
ksii_core2_pre10,"Keratan Sulfate Ii Biosynthesis, Precursor 10",C81H130N6O64S2X,-3,0,0,,NaN,NaN,,"",ksii_core2_pre10,ksii_core2_pre10,,NaN,"",ksii_core2_pre10,"",,,MNXM12009,,NaN,,,,"",
ksii_core2_pre2,"Keratan Sulfate Ii Biosynthesis, Precursor 2",C39H63N3O28X,-1,0,0,,NaN,NaN,,"",ksii_core2_pre2,ksii_core2_pre2,,NaN,"",ksii_core2_pre2,"",,,MNXM12011,,NaN,,,,"",
ksii_core2_pre3,"Keratan Sulfate Ii Biosynthesis, Precursor 3",C47H76N4O33X,-1,0,0,,NaN,NaN,,"",ksii_core2_pre3,ksii_core2_pre3,,NaN,"",ksii_core2_pre3,"",,,MNXM12012,,NaN,,,,"",
ksii_core2_pre4,"Keratan Sulfate Ii Biosynthesis, Precursor 4",C53H86N4O38X,-1,0,0,,NaN,NaN,,"",ksii_core2_pre4,ksii_core2_pre4,,NaN,"",ksii_core2_pre4,"",,,MNXM12014,,NaN,,,,"",
ksii_core2_pre5,"Keratan Sulfate Ii Biosynthesis, Precursor 5",C61H99N5O43X,-1,0,0,,NaN,NaN,,"",ksii_core2_pre5,ksii_core2_pre5,,NaN,"",ksii_core2_pre5,"",,,MNXM12016,,NaN,,,,"",
ksii_core2_pre6,"Keratan Sulfate Ii Biosynthesis, Precursor 6",C61H98N5O46SX,-2,0,0,,NaN,NaN,,"",ksii_core2_pre6,ksii_core2_pre6,,NaN,"",ksii_core2_pre6,"",,,MNXM12019,,NaN,,,,"",
ksii_core2_pre7,"Keratan Sulfate Ii Biosynthesis, Precursor 7",C67H108N5O51SX,-2,0,0,,NaN,NaN,,"",ksii_core2_pre7,ksii_core2_pre7,,NaN,"",ksii_core2_pre7,"",,,MNXM12021,,NaN,,,,"",
ksii_core2_pre8,"Keratan Sulfate Ii Biosynthesis, Precursor 8",C75H121N6O56SX,-2,0,0,,NaN,NaN,,"",ksii_core2_pre8,ksii_core2_pre8,,NaN,"",ksii_core2_pre8,"",,,MNXM12023,,NaN,,,,"",
ksii_core2_pre9,"Keratan Sulfate Ii Biosynthesis, Precursor 9",C75H120N6O59S2X,-3,0,0,,NaN,NaN,,"",ksii_core2_pre9,ksii_core2_pre9,,NaN,"",ksii_core2_pre9,"",,,MNXM12025,,NaN,,,,"",
ksii_core4,"Keratan Sulfate Ii (Core 4-Linked)",C89H142N7O72S3X,-4,0,0,,NaN,NaN,,"",ksii_core4,ksii_core4,,NaN,"",ksii_core4,"",,,MNXM7464,,NaN,,,,"",
ksii_core4_deg1,"Keratan Sulfate Ii (Core 4-Linked), Degradation Product 1",C78H126N6O64S3X,-3,0,0,,NaN,NaN,,"",ksii_core4_deg1,ksii_core4_deg1,,NaN,"",ksii_core4_deg1,"",,,MNXM12004,,NaN,,,,"",
ksii_core4_deg2,"Keratan Sulfate Ii (Core 4-Linked), Degradation Product 2",C78H127N6O61S2X,-2,0,0,,NaN,NaN,,"",ksii_core4_deg2,ksii_core4_deg2,,NaN,"",ksii_core4_deg2,"",,,MNXM12005,,NaN,,,,"",
ksii_core4_deg3,"Keratan Sulfate Ii (Core 4-Linked), Degradation Product 3",C66H107N6O51S2X,-2,0,0,,NaN,NaN,,"",ksii_core4_deg3,ksii_core4_deg3,,NaN,"",ksii_core4_deg3,"",,,MNXM8810,,NaN,,,,"",
ksii_core4_deg4,"Keratan Sulfate Ii (Core 4-Linked), Degradation Product 4",C66H108N6O48SX,-1,0,0,,NaN,NaN,,"",ksii_core4_deg4,ksii_core4_deg4,,NaN,"",ksii_core4_deg4,"",,,MNXM12006,,NaN,,,,"",
ksii_core4_pre1,"Keratan Sulfate Ii Biosynthesis, Precursor 1",C36H60N3O25X,0,0,0,,NaN,NaN,,"",ksii_core4_pre1,ksii_core4_pre1,,NaN,"",ksii_core4_pre1,"",,,MNXM12008,,NaN,,,,"",
ksii_core4_pre10,"Keratan Sulfate Ii Biosynthesis, Precursor 10",C89H143N7O69S2X,-3,0,0,,NaN,NaN,,"",ksii_core4_pre10,ksii_core4_pre10,,NaN,"",ksii_core4_pre10,"",,,MNXM12010,,NaN,,,,"",
ksii_core4_pre2,"Keratan Sulfate Ii Boisynthesis, Precursor 2",C47H76N4O33X,-1,0,0,,NaN,NaN,,"",ksii_core4_pre2,ksii_core4_pre2,,NaN,"",ksii_core4_pre2,"",,,MNXM12026,,NaN,,,,"",
ksii_core4_pre3,"Keratan Sulfate Ii Biosynthesis, Precursor 3",C55H89N5O38X,-1,0,0,,NaN,NaN,,"",ksii_core4_pre3,ksii_core4_pre3,,NaN,"",ksii_core4_pre3,"",,,MNXM12013,,NaN,,,,"",
ksii_core4_pre4,"Keratan Sulfate Ii Biosynthesis, Precursor 4",C61H99N5O43X,-1,0,0,,NaN,NaN,,"",ksii_core4_pre4,ksii_core4_pre4,,NaN,"",ksii_core4_pre4,"",,,MNXM12015,,NaN,,,,"",
ksii_core4_pre5,"Keratan Sulfate Ii Biosynthesis, Precursor 5",C69H112N6O48X,-1,0,0,,NaN,NaN,,"",ksii_core4_pre5,ksii_core4_pre5,,NaN,"",ksii_core4_pre5,"",,,MNXM12017,,NaN,,,,"",
ksii_core4_pre6,"Keratan Sulfate Ii Biosynthesis, Precursor 6",C69H111N6O51SX,-2,0,0,,NaN,NaN,,"",ksii_core4_pre6,ksii_core4_pre6,,NaN,"",ksii_core4_pre6,"",,,MNXM12018,,NaN,,,,"",
ksii_core4_pre7,"Keratan Sulfate Ii Biosynthesis, Precursor 7",C75H121N6O56SX,-2,0,0,,NaN,NaN,,"",ksii_core4_pre7,ksii_core4_pre7,,NaN,"",ksii_core4_pre7,"",,,MNXM12020,,NaN,,,,"",
ksii_core4_pre8,"Keratan Sulfate Ii Biosynthesis, Precursor 8",C83H134N7O61SX,-2,0,0,,NaN,NaN,,"",ksii_core4_pre8,ksii_core4_pre8,,NaN,"",ksii_core4_pre8,"",,,MNXM12022,,NaN,,,,"",
ksii_core4_pre9,"Keratan Sulfate Ii Biosynthesis, Precursor 9",C83H133N7O64S2X,-3,0,0,,NaN,NaN,,"",ksii_core4_pre9,ksii_core4_pre9,,NaN,"",ksii_core4_pre9,"",,,MNXM12024,,NaN,,,,"",
kynate,"Kynurenic acid",C10H6NO3,-1,189.1675,189.0425931,C01717,3845,18344,HMDB0000715,"",kynate,kynate,FDB022200,3712,"",kynate,"Kynurenic acid",,,MNXM92974,C00026453,5683,492-27-3,DTXSID8075417,HCZHHEIFKROPDY-UHFFFAOYSA-M,"InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)/p-1",[H]OC1=C([H])C(=NC2=C([H])C([H])=C([H])C([H])=C12)C([O-])=O
L_dpchrm,"L-Dopachrome",C9H6NO4,-1,193.1562,193.0375077,C01693,439549,15772,HMDB0001430,"L-dopachrome",L_dpchrm,L_dpchrm,FDB022618,17216120,"L-DOPACHROME",L_dpchrm,"",,cpd01169,MNXM162849,,6241,89762-39-0,,VJNCICVKUHKIIV-LURJTMIESA-M,"InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10H,1H2,(H,13,14)/p-1/t6-/m0/s1",[H]N1C2=C([H])C(=O)C(=O)C([H])=C2C([H])([H])[C@@]1([H])C([O-])=O
l2a6o,"L-2-Amino-6-oxopimelate",C7H10NO5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd02414,,,NaN,,,,"",
l2aadipad,"L-2-Aminoadipate adenylate",C16H22N6O10P,-1,0,0,,NaN,NaN,HMDB0006941,"",,,,NaN,"",,"",,cpd03297,,,NaN,,,,"",
L2aadp,"Aminoadipic acid",C6H10NO4,-1,161.1558,161.0688078,C00956,469,37024,HMDB0000510,"",L2aadp,L2aadp,FDB021812,456,"CPD-468",L2aadp,"alpha-Aminoadipate",,cpd00705,MNXM268,C00007393,5496,542-32-5,DTXSID90862154,OYIFNHCXNCRBQI-BYPYZUCNSA-M,"InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/p-1/t4-/m0/s1",[H][N+]([H])([H])C([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([O-])=O
L2aadp6sa,"Allysine",C6H11NO3,0,145.1564,145.0738932,C01475,207,17027,HMDB0001263,"",L2aadp6sa,L2aadp6sa,FDB022519,202,"ALLYSINE",L2aadp6sa,"Allysine",,cpd02522,MNXM89905,,6118,1962-83-0,,GFXYTQPNNXGICT-YFKPBYRVSA-N,"InChI=1S/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)/t5-/m0/s1",[H]C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H]
l2fn2m2masn,"{[Galactosyl-(1,4)-N-Acetyl-Glucosaminyl-(1,2)-Mannosyl-(1,3)-],[N-Acetyl-Glucosaminyl-(1,2)-Mannosyl-(1,6)-]Mannosyl-(1,4)-N-Acetyl-Glucosaminyl-(1,4)-[Fucosyl-(1,6)]-N-Acetyl-Glucosaminyl}Asparagine",C68H113N4O49X,0,0,0,G00017,NaN,NaN,,"",l2fn2m2masn,,,NaN,"",l2fn2m2masn,"",,,MNXM9246,,NaN,,,,"",
l2n2m2mn,"De-Fuc, Reducing GlcNac Removed, De-Sia Form Of Pa6 (W/O Peptide Linkage)",C54H91N3O41,0,0,0,,NaN,NaN,,"",l2n2m2mn,l2n2m2mn,,NaN,"",l2n2m2mn,"",,,MNXM8518,,NaN,,,,"",
l2xser,"(Gal)2-Xyl-L-Ser (Protein)",C17H29O14X,0,0,0,C04825,NaN,NaN,,"",l2xser,l2xser,,NaN,"",l2xser,"",,,MNXM5514,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@]3([H])C([H])([H])O[C@@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*])[C@]([H])(O[H])[C@@]3([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
lac_D,"D-Lactic acid",C3H5O3,-1,90.0779,90.03169406,C00256,61503,341,HMDB0001311,"",lac_D,lac_D,FDB003293,55423,"D-LACTATE",lac__D,"DLA",,cpd00221,MNXM285,C00019549,6150,10326-41-7,DTXSID0047030,JVTAAEKCZFNVCJ-REOHCLBHSA-M,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1",[H]O[C@@]([H])(C([O-])=O)C([H])([H])[H]
lac_L,"L-Lactic acid",C3H5O3,-1,90.0779,90.03169406,C00186,107689,422,HMDB0000190,"",lac_L,lac_L,FDB003294,96860,"L-LACTATE",lac__L,"Lactate",DB04398,cpd00159,MNXM179,C00001191,5205,79-33-4,DTXSID6034689,JVTAAEKCZFNVCJ-REOHCLBHSA-M,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1",[H]O[C@]([H])(C([O-])=O)C([H])([H])[H]
lac6p,"Lactose 6-phosphate",C12H21O14P,-2,422.2764,422.082542,C05396,440654,NaN,HMDB0006789,"",,,FDB024078,389535,"",lac6p,"",,cpd03194,MNXM2128,,NaN,,,ITPHOIFCAFNCLL-QKKXKWKRSA-N,"InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1",
laccoa,"Lactyl-CoA",C24H36N7O18P3S,-4,839.597,839.1363377,C00827,3081970,15529,HMDB0002346,"",,,FDB022973,2339466,"CPD-5922",laccoa,"",,,MNXM2388,,6636,1926-57-4,,VIWKEBOLLIEAIL-FBMOWMAESA-N,"",
lald_D,"D-Lactaldehyde",C3H6O2,0,74.0785,74.03677944,C00937,439350,17167,HMDB0006458,"",lald_D,lald_D,FDB023918,388473,"CPD-358",lald__D,"Lactaldehyde",,cpd00693,MNXM909,,NaN,,DTXSID80331405,BSABBBMNWQWLLU-GSVOUGTGSA-N,"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1",[H]O[C@@]([H])(C([H])=O)C([H])([H])[H]
lald_L,"Lactaldehyde",C3H6O2,0,74.0785,74.03677944,C00424,439231,18041,HMDB0003052,"",lald_L,lald_L,FDB023101,388368,"LACTALD",lald__L,"Lactaldehyde",,cpd00334,MNXM2387,,3214,598-35-6,,BSABBBMNWQWLLU-VKHMYHEASA-N,"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m0/s1",[H]O[C@]([H])(C([H])=O)C([H])([H])[H]
lanost,"Lanosterin",C30H50O,0,426.7174,426.3861662,C01724,246983,16521,HMDB0001251,"",lanost,lanost,FDB013802,216175,"LANOSTEROL",lanost,"Lanosterol",,cpd01188,MNXM482,C00003657,6108,79-63-0,DTXSID1040744,CAHGCLMLTWQZNJ-BQNIITSRSA-N,"InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C3=C(C([H])([H])C([H])([H])[C@@]2([H])C1(C([H])([H])[H])C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])[H]
Largn,"L-Arogenate",C10H12NO5,-1,0,0,C00826,NaN,17530,,"",,,,NaN,"",Largn,"",,cpd00616,MNXM696,,63566,,,,"InChI=1S/C10H13NO5/c11-7(8(13)14)5-10(9(15)16)3-1-6(12)2-4-10/h1-4,6-7,12H,5,11H2,(H,13,14)(H,15,16)/t6?,7-,10?/m0/s1",
lca24g,"Lithocholic acid-24glucuronide, CDCA-24G",C30H47O9,-1,0,0,,NaN,NaN,,"",,lca24g,,NaN,"",,"",,,,,NaN,,,,"",
lca3g,"Lithocholic acid-3glucuronide, CDCA-3G",C30H47O9,-1,0,0,,NaN,NaN,,"",,lca3g,,NaN,"",,"",,,,,NaN,,,,"",
lca3s,"Lithocholic acid 3-sulfate",C24H38O6S,-2,0,0,,NaN,NaN,,"",,lca3s,,NaN,"",,"",,,,,NaN,,,,"",
lctnb,"Lacto-N-biose",C14H25NO11,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
lctnbp,"Lacto-N-biose phosphate",C14H24NO14P,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
lcts,"Alpha-Lactose",C12H22O11,0,342.2965,342.1162115,C00243,84571,36219,HMDB0000186,"",lcts,lcts,FDB001145,76293,"LACTOSE",lcts,"Lactose",,cpd00208,MNXM362,C00001136,267,63-42-3,DTXSID2023193,GUBGYTABKSRVRQ-QKKXKWKRSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])(O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
Lcyst,"Cysteic acid",C3H6NO5S,-1,169.156,169.004493,C00506,25701,21260,HMDB0002757,"",Lcyst,Lcyst,FDB023061,23942,"L-CYSTEATE",Lcyst,"Cysteic_acid",,cpd00395,MNXM713,,332,498-40-8,DTXSID7075424,XVOYSCVBGLVSOL-REOHCLBHSA-M,"InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/p-1/t2-/m0/s1",[H][N+]([H])([H])C([H])(C([O-])=O)C([H])([H])S([O-])(=O)=O
Lcystin,"L-Cystine",C6H12N2O4S2,0,240.3,240.0238483,C00491,67678,16283,HMDB0000192,"cysteine",Lcystin,Lcystin,FDB012563,60997,"CYSTINE",Lcystin,"Cystine",,,MNXM927,C00001352,5207,56-89-3,DTXSID2046418,LEVWYRKDKASIDU-IMJSIDKUSA-N,"InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1",[H][N+]([H])([H])[C@]([H])(C([O-])=O)C([H])([H])SSC([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
ldl_hs,"Low Density Lipoprotein",X,0,0,0,,NaN,NaN,,"",,ldl_hs,,NaN,"",,"",,,,,NaN,,,,"",
leu_L,"L-Leucine",C6H13NO2,0,131.1729,131.0946287,C00123,6106,15603,HMDB0000687,"",leu_L,leu_L,FDB001946,5880,"LEU",leu__L,"Leucine",DB01746,cpd00107,MNXM140,C00001377,24,61-90-5,DTXSID9023203,ROHFNLRQFUQHCH-YFKPBYRVSA-N,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
leualaarg,"Leucyl-Alanyl-Arginine",C15H31N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LJHGALIOHLRRQN-HBNTYKKESA-O,"InChI=1S/C15H30N6O4/c1-8(2)7-10(16)13(23)20-9(3)12(22)21-11(14(24)25)5-4-6-19-15(17)18/h8-11H,4-7,16H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)(H4,17,18,19)/p+1/t9-,10+,11+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
leuasnasp,"Leucyl-Asparaginyl-Aspartate",C14H23N4O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VCSBGUACOYUIGD-YIZRAAEISA-M,"InChI=1S/C14H24N4O7/c1-6(2)3-7(15)12(22)17-8(4-10(16)19)13(23)18-9(14(24)25)5-11(20)21/h6-9H,3-5,15H2,1-2H3,(H2,16,19)(H,17,22)(H,18,23)(H,20,21)(H,24,25)/p-1/t7-,8+,9-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([O-])=O
leuasplys,"Leucyl-Aspartyl-Lysine",C16H30N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MYGQXVYRZMKRDB-SDDRHHMPSA-N,"InChI=1S/C16H30N4O6/c1-9(2)7-10(18)14(23)20-12(8-13(21)22)15(24)19-11(16(25)26)5-3-4-6-17/h9-12H,3-8,17-18H2,1-2H3,(H,19,24)(H,20,23)(H,21,22)(H,25,26)/t10-,11-,12+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
leugly,"Leucyl-Glycine",C8H16N2O3,0,188.2242,188.1160924,,NaN,NaN,HMDB0028929,"",leugly,,,NaN,"",leugly,"",,,MNXM127273,,NaN,,,LESXFEZIFXFIQR-LURJTMIESA-N,"InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1",[H]N(C(=O)[C@@]([H])([N+]([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([O-])=O
leuktrA4,"Leukotriene A4",C20H29O3,-1,318.4504,318.2194948,C00909,5280383,15651,HMDB0001337,"",leuktrA4,leuktrA4,FDB022561,4444074,"CPD-8892",leuktrA4,"Leukotriene A4",,,MNXM462,,3449,72059-45-1,,UFPQIRYSPUYQHK-WAQVJNLQSA-M,"InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1",[H]C(=C([H])C([H])=C([H])[C@]1([H])O[C@@]1([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
leuktrB4,"Leukotriene B4",C20H31O4,-1,336.4657,336.2300595,C02165,5280492,15647,HMDB0001085,"",leuktrB4,leuktrB4,FDB022416,4444132,"6Z8E10E14Z-5S12R-512-DIHYDROXYI",leuktrB4,"Leukotriene B4",,,MNXM162284,,406,71160-24-2,DTXSID4037162,VNYSSYRCGWBHLG-YEYKLZQPSA-M,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/p-1/b8-7+,9-6-,14-10?,15-11-/t18-,19-/m1/s1",[H]O[C@@]([H])(C(\[H])=C(/[H])C([H])=C([H])C([H])=C([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
leuktrB4wcooh,"20-Carboxy-leukotriene B4",C20H28O6,-2,366.4486,366.2042387,C05950,5280877,27562,HMDB0006059,"",leuktrB4wcooh,leuktrB4wcooh,FDB023824,4444400,"",leuktrB4wcooh,"",,,MNXM22450,,NaN,80434-82-8,,SXWGPVJGNOLNHT-BJQSAUPESA-L,"InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/p-2/b5-4+,6-2-,12-7?,13-8-/t17-,18-/m1/s1",[H]O[C@@]([H])(C(\[H])=C(/[H])C([H])=C([H])C([H])=C([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
leuktrB4woh,"20-Hydroxy-leukotriene B4",C20H31O5,-1,352.4651,352.2249741,C04853,5280745,15646,HMDB0001509,"",leuktrB4woh,leuktrB4woh,FDB022663,4444320,"20-OH-LTB4",leuktrB4woh,"",,,MNXM92716,,6287,79516-82-8,,PTJFJXLGRSTECQ-XVPSUHAQSA-M,"InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/p-1/b5-4+,7-3-,13-8?,14-9+/t18-,19-/m1/s1",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])[C@@]([H])(O[H])C(\[H])=C(/[H])C([H])=C([H])C([H])=C([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
leuktrC4,"Leukotriene C4",C30H45N3O9S,-2,625.774,625.3033008,C02166,5280493,16978,HMDB0001198,"",leuktrC4,leuktrC4,FDB022484,4444133,"LEUKOTRIENE-C4",leuktrC4,"Leukotriene C4",,,MNXM589,,3681,72025-60-6,,GWNVDXQDILPJIG-ISQRGXDUSA-L,"InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/p-2/b7-6+,10-9-,12-11?,16-13-/t22-,23-,24-,25+/m0/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)C([H])=C([H])C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
leuktrD4,"Leukotriene D4",C25H39N2O6S,-1,496.66,496.2607077,C05951,6435286,1044940,HMDB0003080,"",leuktrD4,leuktrD4,FDB023105,4940074,"CPD66-21",leuktrD4,"Leukotriene D4",,,MNXM162546,,3583,73836-78-9,DTXSID6040533,YEESKJGWJFYOOK-QLXUYSGYSA-M,"InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/p-1/b7-6-,10-9-,12-11?,16-13-/t20-,21-,22+/m0/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(SC([H])([H])C([H])(C(=O)N([H])C([H])([H])C([O-])=O)[N+]([H])([H])[H])C([H])=C([H])C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
leuktrE4,"Leukotriene E4",C23H36NO5S,-1,439.609,439.239244,C05952,5280749,15650,HMDB0002200,"",leuktrE4,leuktrE4,FDB022901,4444323,"7E9E11Z14Z-5S6R-6-CYSTEIN-S-YL",leuktrE4,"Leukotriene E4",,,MNXM162503,,3536,75715-89-8,,OTZRAYGBFWZKMX-FRFVZSDQSA-M,"InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/p-1/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(SC([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H])C([H])=C([H])C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
leuktrF4,"Leukotriene F4",C28H42N2O8S,-2,568.723,568.2818371,C06462,5280938,NaN,HMDB0006465,"",leuktrF4,leuktrF4,FDB023925,4444440,"",leuktrF4,"",,,MNXM91636,,NaN,,,PYSODLWHFWCFLV-MVZIKBKVSA-L,"InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/p-2/b7-6-,10-9-,12-11+,16-13+/t21-,22+,23+,24-/m1/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@]([H])(SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C([O-])=O)C([H])=C([H])C([H])=C([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
leuleu,"Leucylleucine",C12H24N2O3,0,244.3350067,244.1786926,,94244,NaN,,"",leuleu,,,NaN,"",leuleu,"",,,MNXM157161,,NaN,3303-31-9,DTXSID00186696,LCPYQJIKPJDLLB-UHFFFAOYSA-N,"InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)",[H]N(C(=O)C([H])([N+]([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
leuleutrp,"Leucyl-Leucyl-Tryptophan",C23H34N4O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,FOBUGKUBUJOWAD-SXLOBPIMSA-N,"InChI=1S/C23H34N4O4/c1-13(2)9-17(24)21(28)26-19(10-14(3)4)22(29)27-20(23(30)31)11-15-12-25-18-8-6-5-7-16(15)18/h5-8,12-14,17,19-20,25H,9-11,24H2,1-4H3,(H,26,28)(H,27,29)(H,30,31)/t17-,19+,20-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]
leupro,"Leucyl-Proline",C11H20N2O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VTJUNIYRYIAIHF-IUCAKERBSA-N,"InChI=1S/C11H20N2O3/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t8-,9-/m0/s1",[H]OC(=O)[C@]1([H])N(C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]
leuproarg,"Leucyl-Prolyl-Arginine",C17H33N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,QMKFDEUJGYNFMC-AVGNSLFASA-O,"InChI=1S/C17H32N6O4/c1-10(2)9-11(18)15(25)23-8-4-6-13(23)14(24)22-12(16(26)27)5-3-7-21-17(19)20/h10-13H,3-9,18H2,1-2H3,(H,22,24)(H,26,27)(H4,19,20,21)/p+1/t11-,12-,13-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
leusertrp,"Leucyl-Seryl-Tryptophan",C20H28N4O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HWMQRQIFVGEAPH-XIRDDKMYSA-M,"InChI=1S/C20H28N4O5/c1-11(2)7-14(21)18(26)24-17(10-25)19(27)23-16(20(28)29)8-12-9-22-15-6-4-3-5-13(12)15/h3-6,9,11,14,16-17,22,25H,7-8,10,21H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)/p-1/t14-,16-,17-/m0/s1",[H]OC([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]
leutrp,"Leucyl-Tryptophan",C17H23N3O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BQVUABVGYYSDCJ-DZGCQCFKSA-N,"InChI=1S/C17H23N3O3/c1-10(2)7-13(18)16(21)20-15(17(22)23)8-11-9-19-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,19H,7-8,18H2,1-2H3,(H,20,21)(H,22,23)/t13-,15+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]
leutrparg,"Leucyl-Tryptophanyl-Arginine",C23H36N7O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,IDGRADDMTTWOQC-YTQUADARSA-O,"InChI=1S/C23H35N7O4/c1-13(2)10-16(24)20(31)30-19(11-14-12-28-17-7-4-3-6-15(14)17)21(32)29-18(22(33)34)8-5-9-27-23(25)26/h3-4,6-7,12-13,16,18-19,28H,5,8-11,24H2,1-2H3,(H,29,32)(H,30,31)(H,33,34)(H4,25,26,27)/p+1/t16-,18-,19+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
leutyrtyr,"Leucyl-Tyrosyl-Tyrosine",C24H31N3O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YIRIDPUGZKHMHT-HBMCJLEFSA-N,"InChI=1S/C24H31N3O6/c1-14(2)11-19(25)22(30)26-20(12-15-3-7-17(28)8-4-15)23(31)27-21(24(32)33)13-16-5-9-18(29)10-6-16/h3-10,14,19-21,28-29H,11-13,25H2,1-2H3,(H,26,30)(H,27,31)(H,32,33)/t19-,20+,21-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
leuval,"Leucyl-Valine",C11H22N2O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MDSUKZSLOATHMH-DTWKUNHWSA-N,"InChI=1S/C11H22N2O3/c1-6(2)5-8(12)10(14)13-9(7(3)4)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
levan1000,"Levan",C6000H10002O5001,0,504.4371,504.169035,C01355,22833608,NaN,HMDB0003539,"",,,FDB023192,17216231,"LEVAN",,"Levan",,,,,6945,9013-95-0,,AIHDCSAXVMAMJH-GFBKWZILSA-N,"",
levanb,"Levanbiose",C12H22O11,0,0,0,C01725,223440163,6435,,"",,,,NaN,"",,"",,,,,65637,,,,"",
levanttr,"Levantriose",C18H32O16,0,0,0,,101014471,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
levantttr,"Levantetraose",C24H42O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
Lfmkynr,"L-Formylkynurenine",C11H12N2O4,0,236.224,236.0797069,C02700,439788,30249,HMDB0060485,"",Lfmkynr,Lfmkynr,,388843,"N-FORMYLKYNURENINE",Lfmkynr,"",,cpd01749,MNXM1288,,NaN,,,BYHJHXPTQMMKCA-UHFFFAOYSA-N,"InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)",[H]N(C([H])=O)C1=C([H])C([H])=C([H])C([H])=C1C(=O)C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H]
lgnc,"Tetracosanoic acid",C24H47O2,-1,368.6367,368.3654308,C08320,11197,28866,HMDB0002003,"",lgnc,lgnc,FDB021823,10724,"TETRACOSANOATE",lgnc,"Tetracosanoic acid",,,MNXM8841,C00001223,6427,557-59-5,DTXSID6021664,QZZGJDVWLFXDLK-UHFFFAOYSA-M,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
lgnccrn,"Tetracosanoylcarnitine",C31H61NO4,0,0,0,,NaN,NaN,,"",lgnccrn,,,NaN,"",lgnccrn,"",,,MNXM8842,,NaN,,,WMMCQGKGLKWABC-SSEXGKCCSA-O,"InChI=1S/C31H63NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-35-30(28-31(33)34)29-32(2,3)4/h30H,5-29H2,1-4H3/p+1/t30-/m1/s1",[H]OC(=O)C([H])([H])[C@@]([H])(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
lgt_S,"S-Lactoylglutathione",C13H20N3O8S,-1,379.386,379.1049354,C03451,440018,15694,HMDB0001066,"",lgt_S,lgt_S,FDB022405,389032,"S-LACTOYL-GLUTATHIONE",lgt__S,"",,cpd02182,MNXM1253,C00019550,5979,25138-66-3,,VDYDCVUWILIYQF-CSMHCCOUSA-M,"InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/p-1/t6-,7+,8+/m1/s1",[H]O[C@@]([H])(C(=O)SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C(=O)N([H])C([H])([H])C([O-])=O)C([H])([H])[H]
Lhcystin,"L-Homocystine",C8H16N2O4S2,0,0,0,C01817,69382,17485,HMDB0000676,"",,Lhcystin,FDB022176,62590,"",,"Homocystine",,,,,NaN,,,ZTVZLYBCZNMWCF-ZBHICJROSA-N,"InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6?/m0/s1",[H]OC(=O)C([H])(N([H])[H])C([H])([H])C([H])([H])SSC([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H]
lichn,"Lichenin from Icelandic moss, 170 glucose residues. DOI: 10.1039/JR9570001951",C1020H1702O851,0,0,0,C00478,3761,6452,,"",,,,NaN,"",,"Lichenin",,,,,65515,1402-10-4,,,"",
limnen,"D-Limonene",C10H16,0,136.234,136.1252005,C00521,439250,15383,HMDB0003375,"",limnen,limnen,FDB013861,388386,"-R-LIMONENE",limnen,"Limonene",,,MNXM956,C00000803,6911,5989-54-8,DTXSID2029612,XMGQYMWWDOXHJM-SNVBAGLBSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1",[H]C([H])=C(C([H])([H])[H])[C@]1([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C1([H])[H]
lineth,"Linoleoyl ethanolamide",C20H37NO2,0,323.5133,323.2824294,,5283446,64032,HMDB0012252,"",,lineth,FDB028893,4446566,"CPD6666-4",,"",,,,,NaN,68171-52-8,DTXSID10887223,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
lipa,"KDO(2)-lipid (A)",C110H196N2O39P2,-6,0,0,,NaN,NaN,,"",,,,NaN,"",lipa,"",,cpd03587,MNXM946,,NaN,,,,"",
lipidA,"2,3,23-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4-bisphosphate",C68H126N2O23P2,-4,0,0,,NaN,NaN,,"",,,,NaN,"",lipidA,"",,cpd02993,MNXM1754,,NaN,,,,"",
lipidAds,"Lipid A Disaccharide",C68H127N2O20P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",lipidAds,"",,cpd03002,MNXM1569,,NaN,,,,"",
lipidX,"2,3-Bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate",C34H64NO12P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",lipidX,"",,cpd02930,MNXM1839,,NaN,,,,"",
lipoate,"(R)-lipoic acid",C8H14O2S2,0,206.326,206.0435211,C00725,6112,30314,HMDB0001451,"",lipoate,Lipoate,FDB022631,5886,"LIPOIC-ACID",lipoate,"Lipoic acid",DB00166,cpd00541,MNXM1484,C00000754,126,1200-22-2,DTXSID20152651,AGBQKNBQESQNJD-ZETCQYMHSA-N,"InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])SSC([H])([H])C1([H])[H]
Lkynr,"L-Kynurenine",C10H12N2O3,0,208.2139,208.0847923,C00328,161166,16946,HMDB0000684,"",Lkynr,Lkynr,FDB022181,141580,"L-KYNURENINE",Lkynr,"Kynurenine",DB02070,cpd00275,MNXM260,,72,343-65-7,,YGPSJZOEDVAXAB-QMMMGPOBSA-N,"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1",[H]N([H])C1=C([H])C([H])=C([H])C([H])=C1C(=O)C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
lmn2,"Laminaribiose",C12H22O11,0,0,0,,NaN,NaN,,"",,,,NaN,"",lmn2,"",,,MNXM2249,,NaN,,,,"",
lmn30,"Laminarin (n=30 repeat units, beta -1,3 glc)",C180H302O151,0,0,0,,NaN,NaN,,"",,,,NaN,"",lmn30,"",,,MNXM148323,,NaN,,,,"",
lneldc,"Linoelaidic Acid (All Trans C18:2)",C18H31O2,-1,0,0,,5282457,NaN,,"",lneldc,lneldc,,NaN,"",lneldc,"",,,MNXM8844,,NaN,,,OYHQOLUKZRVURQ-AVQMFFATSA-M,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b7-6+,10-9+",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
lneldcACP,"Linoelaidic Acid ACP (All Trans)",C29H51N2O8PRS,-1,0,0,,NaN,NaN,,"",lneldcACP,,,NaN,"",lneldcACP,"",,,MNXM19074,,NaN,,,,"",
lneldccoa,"(6Z,9Z)-Octadecadienoyl Coenzyme A",C39H62N7O17P3S,-4,0,0,,NaN,NaN,,"",lneldccoa,lneldccoa,,NaN,"",lneldccoa,"",,,MNXM4036,,NaN,,,YECLLIMZHNYFCK-RRNJGNTNSA-J,"InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
lneldccrn,"6Z,9Z-Octadecadienoylcarnitine",C25H45NO4,0,0,0,,53477834,NaN,,"",lneldccrn,lneldccrn,,NaN,"",lneldccrn,"",,,MNXM8845,,NaN,,,MJLXQSQYKZWZCB-OKLKQMLOSA-N,"InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9+,13-12+",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
lnlc,"Linoleic acid",C18H31O2,-1,280.4455,280.2402303,C01595,5280450,17351,HMDB0000673,"",lnlc,lnlc,FDB012760,4444105,"",lnlc,"Linoleic acid",,cpd01122,MNXM293,C00001224,191,60-33-3,DTXSID2025505,OYHQOLUKZRVURQ-HZJYTTRNSA-M,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
lnlcACP,"Linoleic Acid ACP (All Cis)",C29H51N2O8PRS,-1,0,0,,NaN,NaN,,"",lnlcACP,,,NaN,"",lnlcACP,"",,,MNXM19075,,NaN,,,,"",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)S[*]
lnlccoa,"Linoleoyl-CoA",C39H62N7O17P3S,-4,1029.964,1029.344874,C02050,5462164,15530,HMDB0001064,"linoleoyl-CoA",lnlccoa,lnlccoa,FDB022403,10637815,"CPD-18",lnlccoa,"",,cpd01398,MNXM638,,5977,6709-57-5,DTXSID10420558,YECLLIMZHNYFCK-RRNJGNTNSA-J,"InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,26-28,32-34,38,49-50H,4-7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
lnlccrn,"Linoleyl carnitine",C25H45NO4,0,423.6291,423.3348589,,6450015,84098,HMDB0006469,"",lnlccrn,lnlccrn,FDB023928,4952667,"",lnlccrn,"",,,MNXM8847,,NaN,36816-10-1,,MJLXQSQYKZWZCB-DQFWFXSYSA-N,"InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9-,13-12-/t23-/m1/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
lnlnca,"Alpha-Linolenic acid",C18H29O2,-1,278.4296,278.2245802,C06427,5280934,27432,HMDB0001388,"",lnlnca,lnlnca,FDB012462,4444437,"LINOLENIC_ACID",lnlnca,"Linolenic acid",DB00132,cpd03850,MNXM794,C00007247,6208,463-40-1,DTXSID7025506,DTOSIQBPPRVQHS-PDBXOOCHSA-M,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/p-1/b4-3-,7-6-,10-9-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
lnlncacoa,"Alpha-Linolenoyl-CoA",C39H60N7O17P3S,-4,1027.948,1027.329224,C16162,53477815,NaN,HMDB0006290,"",lnlncacoa,lnlncacoa,FDB023879,NaN,"",lnlncacoa,"",,cpd14883,MNXM994,,NaN,,,OMKFKBGZHNJNEX-PQBHNYBOSA-J,"InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,26-28,32-34,38,49-50H,4,7,10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b6-5-,9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
lnlncacrn,"Alpha-linolenyl carnitine",C25H43NO4,0,421.6132,421.3192089,,53477821,NaN,HMDB0006319,"",lnlncacrn,lnlncacrn,FDB023886,NaN,"",lnlncacrn,"",,,MNXM8289,,NaN,,,DFVGGGHKDAHYIU-UHMZJXMFSA-N,"InChI=1S/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h6-7,9-10,12-13,23H,5,8,11,14-22H2,1-4H3/b7-6-,10-9-,13-12-/t23-/m0/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@@]([H])(C([H])([H])C([H])([H])C([O-])=O)[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
lnlncg,"Gamma-Linolenic acid",C18H29O2,-1,278.4360046,278.2245802,C06426,5280933,28661,HMDB0003073,"",lnlncg,lnlncg,FDB002943,4444436,"5Z13E-15S-91115-TRIHYDROXYPROSTA-",lnlncg,"gamma-Linolenic acid",,cpd03849,MNXM162504,C00001226,386,506-26-3,DTXSID7046170,VZCCETWTMQHEPK-NPLRDPCCSA-M,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9?,13-12-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
lnlncgcoa,"Gamma-linolenoyl-CoA",C39H60N7O17P3S,-4,1027.948,1027.329224,C03035,11966132,15508,HMDB0006368,"",lnlncgcoa,lnlncgcoa,FDB023905,10140126,"GAMMA-LINOLENOYL-COA",lnlncgcoa,"",,cpd01942,MNXM162293,,NaN,,,XZQYPTBYQYZGRU-FHDVEODPSA-J,"InChI=1S/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h8-9,11-12,14-15,26-28,32-34,38,49-50H,4-7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
lnlncgcrn,"Gamma-linolenyl carnitine",C25H43NO4,0,421.6132,421.3192089,,53477819,NaN,HMDB0006318,"",lnlncgcrn,lnlncgcrn,FDB023885,NaN,"",lnlncgcrn,"",,,MNXM8635,,NaN,,,VDPMHVILMVSAQX-BAHSRKMSSA-N,"InChI=1S/C25H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h9-10,12-13,15-16,23H,5-8,11,14,17-22H2,1-4H3/b10-9-,13-12-,16-15-/t23-/m0/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@@]([H])(C([H])([H])C([H])([H])C([O-])=O)[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
lpam,"Lipoamide",C8H15NOS2,0,205.341,205.0595055,C00248,863,17460,HMDB0000962,"",lpam,lpam,FDB022340,840,"LIPOAMIDE",lpam,"Lipoamide",,cpd00213,MNXM1024,,3372,940-69-2,DTXSID2046541,FCCDDURTIIUXBY-UHFFFAOYSA-N,"InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)",[H]N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])SSC([H])([H])C1([H])[H]
lpchol_hs,"1-Acyl-Sn-Glycero-3-Phosphocholine",C8H19NO5PFULLRCO2,0,0,0,,NaN,NaN,,"",lpchol_hs,lpchol_hs,,NaN,"",lpchol_hs,"",,,MNXM5213,,NaN,,,,"",[H]O[C@]([H])(C([H])([H])OC(*)=O)C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
Lpipecol,"L-Pipecolic acid",C6H11NO2,0,129.157,129.0789786,C00408,439227,30913,HMDB0000716,"",Lpipecol,Lpipecol,FDB000546,388365,"L-PIPECOLATE",Lpipecol,"",,cpd00323,MNXM684,,5684,3105-95-1,,HXEACLLIILLPRG-YFKPBYRVSA-N,"InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1",[H]C1([H])C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])C1([H])[H]
lpro,"Lipoylprotein",S2X,0,0,0,C02051,NaN,15804,,"",lpro,lpro,,NaN,"",lpro,"",,cpd12005,MNXM998,,NaN,,,,"",[H]N([*])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])SSC([H])([H])C1([H])[H]
lst4exp,"Losartan-E3174/ Losartan-M6",C22H19ClN6O2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
lstn,"Losartan",C22H22ClN6O,-1,422.9200134,422.1621871,D08146,3961,6541,HMDB0014816,"",,,,3824,"",,"Losartan",DB00678,,,,NaN,114798-26-4,DTXSID7023227,PSIFNNKUMBGKDQ-UHFFFAOYSA-N,"",
lstn1gluc,"Losartan-N1-Glucuronide",C28H30ClN6O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
lstnm1,"Losartan-M1",C22H22ClN6O2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
lstnm2,"Losartan-M2",C22H22ClN6O2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
lstnm4,"Losartan-M4 (Glucuronide Derivative)",C28H27ClN6O8,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
lstnm5,"Losartan-M5",C22H22ClN6O2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
lstnm7,"Losartan-N2-Glucuronide / Losartan-M7",C28H30ClN6O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
lthstrl,"Lathosterol",C27H46O,0,386.6535,386.3548661,C01189,65728,17168,HMDB0001170,"",lthstrl,lthstrl,FDB022463,59151,"CPD-4186",lthstrl,"Lathosterol",,,MNXM162760,C00023744,6052,80-99-9,,IZVFFXVYBHFIHY-SKCNUYALSA-N,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]3([H])C(=C([H])C([H])([H])[C@@]2([H])C1([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H]
lum3,"Lumisterol 3",C27H44O,0,384.6377,384.339216,,111049,NaN,HMDB0006505,"",lum3,,FDB023946,99690,"",lum3,"",,,MNXM19109,,NaN,,,UCTLRSWJYQTBFZ-XMVWLVNMSA-N,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25-,26-,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])=C3[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3([H])[C@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
lvst,"Lovastatin (Lactone Form)",C24H36O5,0,0,0,D00359,53232,40303,HMDB0014372,"",,,,48085,"",,"Lovastatin",DB00227,,,C00000547,NaN,75330-75-5,,,"",
lvstacid,"Lovastatin-Hydroxy (Acid Form)",C24H37O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
lxser,"Gal-Xyl-L-Ser (Protein)",C11H19O9X,0,0,0,G00155,NaN,NaN,,"",lxser,lxser,,NaN,"",lxser,"",,,MNXM11618,,NaN,,,,"",
lys_L,"L-Lysine",C6H15N2O2,1,146.1876,146.1055277,C00047,5962,18019,HMDB0000182,"",lys_L,lys_L,FDB000474,5747,"LYS",lys__L,"L-Lysine",,cpd00039,MNXM78,C00001378,5200,56-87-1,DTXSID6023232,KDXKERNSBIXSRK-YFKPBYRVSA-O,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
lysargleu,"Lysyl-Arginyl-Leucine",C18H38N7O4,2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YNNPKXBBRZVIRX-IHRRRGAJSA-M,"InChI=1S/C18H37N7O4/c1-11(2)10-14(17(28)29)25-16(27)13(7-5-9-23-18(21)22)24-15(26)12(20)6-3-4-8-19/h11-14H,3-10,19-20H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)(H4,21,22,23)/p-1/t12-,13-,14-/m0/s1",[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
lyscyshis,"Lysyl-Cysteinyl-Histidine",C15H27N6O4S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,QQYRCUXKLDGCQN-SDDRHHMPSA-O,"InChI=1S/C15H26N6O4S/c16-4-2-1-3-10(17)13(22)21-12(7-26)14(23)20-11(15(24)25)5-9-6-18-8-19-9/h6,8,10-12,26H,1-5,7,16-17H2,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/p+1/t10-,11-,12+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])S[H])C([H])([H])C1=C([H])N([H])C([H])=N1
lysglnphe,"Lysyl-Glutaminyl-Phenylalanine",C20H32N5O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PGBPWPTUOSCNLE-XHSDSOJGSA-O,"InChI=1S/C20H31N5O5/c21-11-5-4-8-14(22)18(27)24-15(9-10-17(23)26)19(28)25-16(20(29)30)12-13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12,21-22H2,(H2,23,26)(H,24,27)(H,25,28)(H,29,30)/p+1/t14-,15+,16-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
lysgluglu,"Lysyl-Glutamyl-Glutamate",C16H27N4O8,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SKVPAQVHAQGTIJ-VMXHOPILSA-L,"InChI=1S/C27H47N7O12/c28-13-3-1-5-15(30)23(40)33-18(8-10-20(35)36)26(43)45-22(39)12-7-17(32)25(42)46-27(44)19(9-11-21(37)38)34-24(41)16(31)6-2-4-14-29/h15-19H,1-14,28-32H2,(H,33,40)(H,34,41)(H,35,36)(H,37,38)/p-2/t15-,16-,17-,18-,19-/m0/s1",[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)N([H])[C@]([H])(C(=O)OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O
lyslyslys,"Lysyl-Lysyl-Lysine",C18H41N6O4,3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WBSCNDJQPKSPII-ZNMIVQPWSA-Q,"InChI=1S/C18H38N6O4/c19-10-4-1-7-13(22)16(25)23-14(8-2-5-11-20)17(26)24-15(18(27)28)9-3-6-12-21/h13-15H,1-12,19-22H2,(H,23,25)(H,24,26)(H,27,28)/p+3/t13-,14+,15-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
lyspheile,"Lysyl-Phenylalanyl-Isoleucine",C21H35N4O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LMGNWHDWJDIOPK-ONQFOCNCSA-O,"InChI=1S/C21H34N4O4/c1-3-14(2)18(21(28)29)25-20(27)17(13-15-9-5-4-6-10-15)24-19(26)16(23)11-7-8-12-22/h4-6,9-10,14,16-18H,3,7-8,11-13,22-23H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/p+1/t14?,16-,17+,18-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
lystrparg,"Lysyl-Tryptophanyl-Arginine",C23H38N8O4,2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,RYOLKFYZBHMYFW-WDSOQIARSA-M,"InChI=1S/C23H36N8O4/c24-10-4-3-7-16(25)20(32)31-19(12-14-13-29-17-8-2-1-6-15(14)17)21(33)30-18(22(34)35)9-5-11-28-23(26)27/h1-2,6,8,13,16,18-19,29H,3-5,7,9-12,24-25H2,(H,30,33)(H,31,32)(H,34,35)(H4,26,27,28)/p-1/t16-,18-,19-/m0/s1",[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([O-])=O
lystyrile,"Lysyl-Tyrosyl-Isoleucine",C21H35N4O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,IMDJSVBFQKDDEQ-ZKVVCRCRSA-O,"InChI=1S/C21H34N4O5/c1-3-13(2)18(21(29)30)25-20(28)17(12-14-7-9-15(26)10-8-14)24-19(27)16(23)6-4-5-11-22/h7-10,13,16-18,26H,3-6,11-12,22-23H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)/p+1/t13?,16-,17+,18-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
lysvalphe,"Lysyl-Valyl-Phenylalanine",C20H33N4O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,TXTZMVNJIRZABH-ULQDDVLXSA-M,"InChI=1S/C20H32N4O4/c1-13(2)17(24-18(25)15(22)10-6-7-11-21)19(26)23-16(20(27)28)12-14-8-4-3-5-9-14/h3-5,8-9,13,15-17H,6-7,10-12,21-22H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/p-1/t15-,16-,17-/m0/s1",[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H]
lysvaltrp,"Lysyl-Valyl-Tryptophan",C22H34N5O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XBAJINCXDBTJRH-YTQUADARSA-O,"InChI=1S/C22H33N5O4/c1-13(2)19(27-20(28)16(24)8-5-6-10-23)21(29)26-18(22(30)31)11-14-12-25-17-9-4-3-7-15(14)17/h3-4,7,9,12-13,16,18-19,25H,5-6,8,10-11,23-24H2,1-2H3,(H,26,29)(H,27,28)(H,30,31)/p+1/t16-,18-,19+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]
lyx_L,"L-lyxose",C5H10O5,0,194.1394,194.0426527,,NaN,NaN,,"",,,,NaN,"",lyx__L,"",,,MNXM4641,,NaN,,,IAJILQKETJEXLJ-RSJOWCBRSA-N,"",
lyxnt,"L-Lyxonate",C5H9O6,-1,0,0,C05412,644110,NaN,,"",lyxnt,,,NaN,"",lyxnt,"",,,MNXM92421,,5524,,,QXKAIJAYHKCRRA-PZGQECOJSA-M,"InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/p-1/t2-,3+,4+/m0/s1",[H]OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([O-])=O
m_em_3gacpail,"Mannosyl-3-(Phosphoethanolaminyl-Mannosyl)-Glucosaminyl-Acylphosphatidylinositol (M4A)",C61H116N4O43P4FULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",,,,NaN,"",m_em_3gacpail,"",,,MNXM163845,,NaN,,,,"",
m_em_3gacpail_hs,"Mannosyl-3-(Phosphoethanolaminyl-Mannosyl)-Glucosaminyl-Acylphosphatidylinositol (M4A))",C61H116N4O43P4FULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",m_em_3gacpail_hs,,,NaN,"",m_em_3gacpail_hs,"",,,MNXM147142,,NaN,,,,"",
m_em_3gacpail_prot_hs,"Mannosyl-3-(Phosphoethanolaminyl-Mannosyl)-Glucosaminyl-Acylphosphatidylinositol-Protein (M4A)",C61H116N4O43P4FULLRCO2FULLR2CO2X,0,0,0,,NaN,NaN,,"",m_em_3gacpail_prot_hs,,,NaN,"",m_em_3gacpail_prot_hs,"",,,MNXM148339,,NaN,,,,"",
M00003,"10Z-Heptadecenoic acid",C17H31O2,-1,268.4348,268.2402303,,5312435,75094,HMDB0060038,"",,M00003,,4471860,"CPD-15680",,"",,,,,NaN,,,GDTXICBNEOEPAZ-FPLPWBNLSA-N,"InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,9-16H2,1H3,(H,18,19)/b8-7-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00004,"10Z-Heptadecenoyl Coenzyme A",C38H62N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00004,,NaN,"",,"",,,,,NaN,,,KFMWWNZRDBMYES-VUSGIKGZSA-J,"InChI=1S/C38H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h9-10,25-27,31-33,37,48-49H,4-8,11-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/b10-9-/t27-,31-,32-,33+,37-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00005,"(5Z,8Z,12E,14Z)-(11R)-Hydroperoxyeicosa-5,8,12,14-Tetraenoic Acid (11(R)-HPETE)",C20H31O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PCGWZQXAGFGRTQ-WXMXURGXSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-7-10-13-16-19(24-23)17-14-11-8-6-9-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b9-6-,10-7-,14-11-,16-13+/t19-/m0/s1",[H]OO[C@@]([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H]
M00006,"11Z-Docosenoyl Coenzyme A",C43H72N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00006,,NaN,"",,"",,,,,NaN,,,NHZRWTQFSQTCJG-LTZYZTNRSA-J,"InChI=1S/C43H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h13-14,30-32,36-38,42,53-54H,4-12,15-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b14-13-/t32-,36-,37-,38+,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00008,"Eicosadienoic acid",C20H35O2,-1,308.4986,308.2715304,C16525,6439848,603631,HMDB0005060,"",,M00008,FDB012619,4944228,"",,"",,,,,NaN,2091-39-6,,XSXIVVZCUAHUJO-AVQMFFATSA-N,"InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6+,10-9+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00010,"11,14,17-Eicosatrienoic acid",C20H33O2,-1,306.4828,306.2558803,C16522,5312529,53460,HMDB0060039,"",,M00010,,4471954,"",,"",,,,,NaN,,,AHANXAKGNAKFSK-PDBXOOCHSA-N,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
M00011,"11Z,14Z,17Z-Eicosatrienoylcarnitine",C27H47NO4,0,0,0,,NaN,NaN,,"",,M00011,,NaN,"",,"",,,,,NaN,,,SRNPFTYGRLBDNK-QNEBEIHSSA-N,"InChI=1S/C27H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h6-7,9-10,12-13,25H,5,8,11,14-24H2,1-4H3/b7-6-,10-9-,13-12-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
M00012,"11Z,14Z,17Z-Eicosatrienoyl Coenzyme A",C41H64N7O17P3S,-4,0,0,C16179,NaN,NaN,,"",,M00012,,NaN,"",,"",,,,,NaN,,,BVBYYRVLCDMZNJ-BNQHWWLJSA-N,"InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,28-30,34-36,40,51-52H,4,7,10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b6-5-,9-8-,12-11-/t30-,34-,35-,36+,40?/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00017,"Paullinic acid",C20H37O2,-1,310.5145,310.2871805,,5312518,134479,HMDB0035159,"",,M00017,FDB013796,4471943,"",,"Paullinic_acid",,,,,NaN,17735-94-3,DTXSID80402624,URXZXNYJPAJJOQ-FPLPWBNLSA-N,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00018,"13Z-Eicosenoyl Coenzyme A",C41H68N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00018,,NaN,"",,"",,,,,NaN,,,UZVWVONIQVFUPF-ZPAOSKAMSA-N,"InChI=1S/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h9-10,28-30,34-36,40,51-52H,4-8,11-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b10-9-/t30?,34?,35?,36?,40-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP(=O)(O[H])O[H]
M00019,"(Z)-13-Octadecenoic acid",C18H33O2,-1,282.468,282.2558803,,5312441,82617,HMDB0041480,"",,M00019,FDB021443,4471866,"",,"",,,,,NaN,13126-39-1,,BDLLSHRIFPDGQB-WAYWQWQTSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00020,"13Z-Octadecenoyl Coenzyme A",C39H64N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00020,,NaN,"",,"",,,,,NaN,,,HGOXBQJVFQHNGS-FPLPWBNLSA-J,"InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h7-8,26-28,32-34,38,49-50H,4-6,9-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b8-7-",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
M00021,"13Z,16Z-docosadienoic acid",C22H39O2,-1,336.56,336.3028305,C16533,5312554,75117,HMDB0062219,"",,M00021,,NaN,"",,"",,,,,NaN,,,HVGRZDASOHMCSK-HZJYTTRNSA-N,"InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00022,"13Z,16Z-Docosadienoylcarnitine",C29H52NO4,-1,0,0,,NaN,NaN,,"",,M00022,,NaN,"",,"",,,,,NaN,,,LDIMXAXYWUCEAM-INKCZGRSSA-N,"InChI=1S/C29H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h9-10,12-13,27H,5-8,11,14-26H2,1-4H3/b10-9?,13-12-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M00023,"13Z,16Z-Docosadienoyl Coenzyme A",C43H70N7O17P3S,-4,0,0,C16645,NaN,NaN,,"",,M00023,,NaN,"",,"",,,,,NaN,,,ZLXWEKYVHIYDIY-CQTCHUBRSA-J,"InChI=1S/C43H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,30-32,36-38,42,53-54H,4-7,10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b9-8-,12-11-/t32-,36-,37-,38+,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00030,"(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol",C20H18O3,0,306.361,306.1255944,C19559,174597,82558,HMDB0062223,"",,,,NaN,"",,"",,,,,NaN,86941-58-4,,SZIWZGXOWBSPTO-ZGXWSNOMSA-N,"InChI=1S/C20H18O3/c1-9-11-5-3-4-6-12(11)10(2)15-13(9)7-8-14-16(15)19-20(23-19)18(22)17(14)21/h3-8,17-22H,1-2H3/t17-,18+,19-,20+/m0/s1",[H]O[C@@]1([H])C2=C(C3=C(C([H])=C2[H])C(=C2C([H])=C([H])C([H])=C([H])C2=C3C([H])([H])[H])C([H])([H])[H])[C@]2([H])O[C@]2([H])[C@]1([H])O[H]
M00031,"(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene",C20H23N3O7S,-2,451.493,451.1413209,C14791,11954044,NaN,HMDB0060300,"",,,,10128339,"",,"",,,,,NaN,,,HBBDHJOSZGOTBV-OIPACUDHSA-L,"InChI=1S/C20H25N3O7S/c21-13(20(29)30)6-8-16(24)23-14(19(28)22-9-17(25)26)10-31-15-7-5-11-3-1-2-4-12(11)18(15)27/h1-5,7,13-15,18,27H,6,8-10,21H2,(H,22,28)(H,23,24)(H,25,26)(H,29,30)/p-2/t13-,14-,15+,18+/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])S[C@]1([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C2[C@@]1([H])O[H]
M00033,"(1S)-Hydroxy-(2S)-glutathionyl-1,2-dihydronaphthalene",C20H23N3O7S,-2,451.493,451.1413209,C14792,11954045,NaN,HMDB0060302,"",,,,10128340,"",,"",,,,,NaN,,,HBBDHJOSZGOTBV-XSWJXKHESA-L,"InChI=1S/C20H25N3O7S/c21-13(20(29)30)6-8-16(24)23-14(19(28)22-9-17(25)26)10-31-15-7-5-11-3-1-2-4-12(11)18(15)27/h1-5,7,13-15,18,27H,6,8-10,21H2,(H,22,28)(H,23,24)(H,25,26)(H,29,30)/p-2/t13-,14-,15-,18-/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])S[C@@]1([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C2[C@]1([H])O[H]
M00034,"(1S,2R)-Naphthalene 1,2-oxide",C10H8O,0,144.1699,144.0575149,C14787,11094749,34001,HMDB0060301,"",,,,9269891,"",,"",,,,,NaN,,,XQIJIALOJPIKGX-ZJUUUORDSA-N,"InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H/t9-,10+/m1/s1",[H]C1=C([H])C([H])=C2C(C([H])=C([H])[C@@]3([H])O[C@@]23[H])=C1[H]
M00044,"(2E)-Heneicosenoyl Coenzyme A",C42H70N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00044,,NaN,"",,"",,,,,NaN,,,SKCNHHIVLZFDCJ-IYPSAXEWSA-J,"InChI=1S/C42H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(51)70-26-25-44-32(50)23-24-45-40(54)37(53)42(2,3)28-63-69(60,61)66-68(58,59)62-27-31-36(65-67(55,56)57)35(52)41(64-31)49-30-48-34-38(43)46-29-47-39(34)49/h21-22,29-31,35-37,41,52-53H,4-20,23-28H2,1-3H3,(H,44,50)(H,45,54)(H,58,59)(H,60,61)(H2,43,46,47)(H2,55,56,57)/p-4/b22-21+/t31-,35-,36-,37+,41-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00045,"(2E)-Heptadecenoyl-ACP",C17H31OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00046,"(2E)-Heptadecenoyl Coenzyme A",C38H62N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00046,,NaN,"",,"",,,,,NaN,,,YDHQUKOTPYJJSE-WSFAOELFSA-J,"InChI=1S/C38H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h17-18,25-27,31-33,37,48-49H,4-16,19-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/b18-17+/t27-,31-,32-,33+,37-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00047,"(2E)-Heptenoyl-ACP",C7H11OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00048,"(2E)-Heptenoyl Coenzyme A",C28H42N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00048,,NaN,"",,"",,,,,NaN,,,PWHBHJPLLWGXPL-YSSUZGETSA-J,"InChI=1S/C28H46N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h7-8,15-17,21-23,27,38-39H,4-6,9-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/p-4/b8-7+/t17-,21-,22-,23+,27-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00049,"(2E)-Hexacosenoyl Coenzyme A",C47H80N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00049,,NaN,"",,"",,,,,NaN,,,GGUUXBBWTGIIGE-QOJTXVRXSA-N,"InChI=1S/C47H84N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h26-27,34-36,40-42,46,57-58H,4-25,28-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/b27-26+/t36-,40-,41-,42+,46-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00054,"(2E)-Nonadecenoyl Coenzyme A",C40H66N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00054,,NaN,"",,"",,,,,NaN,,,MAXBSQRWQJPHLZ-DJSYUPERSA-N,"InChI=1S/C40H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(49)68-24-23-42-30(48)21-22-43-38(52)35(51)40(2,3)26-61-67(58,59)64-66(56,57)60-25-29-34(63-65(53,54)55)33(50)39(62-29)47-28-46-32-36(41)44-27-45-37(32)47/h19-20,27-29,33-35,39,50-51H,4-18,21-26H2,1-3H3,(H,42,48)(H,43,52)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/b20-19+/t29-,33+,34+,35?,39-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP(=O)(O[H])O[H]
M00055,"(2E)-Nonenoyl-ACP",C9H15OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00056,"(2E)-Nonenoyl Coenzyme A",C30H46N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00056,,NaN,"",,"",,,,,NaN,,,HBLOTZDYPZAZLE-OWQWVSLFSA-J,"InChI=1S/C30H50N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h9-10,17-19,23-25,29,40-41H,4-8,11-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/b10-9+/t19-,23-,24-,25+,29-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00060,"(2E)-Pentadecenoyl-ACP",C15H27OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00061,"(2E)-Pentadecenoyl-CoA",C36H58N7O17P3S,-4,985.88,985.2844699,,86289262,77545,HMDB0062229,"",,M00061,,NaN,"",,"",,,,,NaN,,,BUFWYEICGKLDLP-OUZMRWKYSA-J,"InChI=1S/C36H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h15-16,23-25,29-31,35,46-47H,4-14,17-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/b16-15+/t25-,29-,30-,31+,35-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00062,"(2E)-Pentenoyl-ACP",C5H7OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00063,"(2E)-Pentenoyl-CoA",C26H38N7O17P3S,-4,845.61,845.1279693,,86290090,86160,HMDB0062230,"",,M00063,,NaN,"",,"",,,,,NaN,,,GJSFKOVNQYGUGN-JQVZGLFNSA-J,"InChI=1S/C26H42N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h5-6,13-15,19-21,25,36-37H,4,7-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/b6-5+/t15-,19-,20-,21+,25-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00067,"(2E)-Tricosenoyl-CoA",C44H74N7O17P3S,-4,1098.09,1097.40967,,92136159,90119,HMDB0062232,"",,M00067,,NaN,"",,"",,,,,NaN,,,CAWFROVHOZZJJP-DFNRIUMZSA-J,"InChI=1S/C44H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(53)72-28-27-46-34(52)25-26-47-42(56)39(55)44(2,3)30-65-71(62,63)68-70(60,61)64-29-33-38(67-69(57,58)59)37(54)43(66-33)51-32-50-36-40(45)48-31-49-41(36)51/h23-24,31-33,37-39,43,54-55H,4-22,25-30H2,1-3H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59)/p-4/b24-23+/t33-,37-,38-,39+,43-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00068,"(2E)-Tridecenoyl-ACP",C13H23OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00069,"(2E)-Tridecenoyl Coenzyme A",C34H54N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00069,,NaN,"",,"",,,,,NaN,,,OJMHBULHHWIOMP-IEIJHTCOSA-J,"InChI=1S/C34H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-25(43)62-18-17-36-24(42)15-16-37-32(46)29(45)34(2,3)20-55-61(52,53)58-60(50,51)54-19-23-28(57-59(47,48)49)27(44)33(56-23)41-22-40-26-30(35)38-21-39-31(26)41/h13-14,21-23,27-29,33,44-45H,4-12,15-20H2,1-3H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/p-4/b14-13+/t23-,27-,28-,29+,33-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00070,"(2E)-Undecenoyl-ACP",C11H19OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00071,"(2E)-Undecenoyl Coenzyme A",C32H50N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00071,,NaN,"",,"",,,,,NaN,,,CAVMKINPGRCURL-PHHHIDLGSA-J,"InChI=1S/C32H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h11-12,19-21,25-27,31,42-43H,4-10,13-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/b12-11+/t21-,25-,26-,27+,31-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00085,"(3S)-Hydroxy-Docasa-Cis,Cis-13,16-Dienoyl Coenzyme A",C43H70N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00085,,NaN,"",,"",,,,,NaN,,,,"",
M00086,"(3S)-Hydroxy-Eicosa-Cis,Cis,Cis-11,14,17-Trienoyl Coenzyme A",C41H64N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00086,,NaN,"",,"",,,,,NaN,,,,"",
M00096,"(5')Pppur-Mrna",C10H19O16P3R2(C5H8O6PR)n,0,0,0,C02100,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[H])[C@@]1([H])O[H]
M00100,"5Z,8Z,11Z-Eicosatrienoylcarnitine",C27H47NO4,0,0,0,,NaN,NaN,,"",,M00100,,NaN,"",,"",,,,,NaN,,,DBCKADUSYJAPII-LJURNQLPSA-N,"InChI=1S/C27H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h12-13,15-16,18-19,25H,5-11,14,17,20-24H2,1-4H3/b13-12-,16-15-,19-18-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M00101,"5Z,8Z,11Z-Eicosatrienoyl Coenzyme A",C41H64N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00101,,NaN,"",,"",,,,,NaN,,,XVHUACBAJILXGX-BCYAMTKJSA-N,"InChI=1S/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,14-15,17-18,28-30,34-36,40,51-52H,4-10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b12-11-,15-14-,18-17-/t30-,34?,35?,36+,40-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP(=O)(O[H])O[H]
M00112,"6Z,9Z,12Z,15Z,18Z,21Z-Tetracosahexaenoylcarnitine",C31H49NO4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,IFDZWUCFCCROPG-YZTIFYDKSA-N,"InChI=1S/C31H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,29H,5,8,11,14,17,20,23-28H2,1-4H3/b7-6?,10-9?,13-12-,16-15-,19-18-,22-21-/t29-/m1/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M00115,"7Z-octadecenoic acid",C18H33O2,-1,282.468,282.2558803,,5282755,NaN,HMDB0062242,"",,M00115,,NaN,"",,"",,,,,NaN,,,RVUCYJXFCAVHNC-QXMHVHEDSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,2-10,13-17H2,1H3,(H,19,20)/b12-11-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00116,"7Z-Octadecenoyl Coenzyme A",C39H64N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00116,,NaN,"",,"",,,,,NaN,,,IVOWZZDWEHGSGB-JUGOISETSA-J,"InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h13-14,26-28,32-34,38,49-50H,4-12,15-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b14-13-/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00117,"7Z-tetradecenoic acid",C14H25O2,-1,226.36,226.1932801,,5312401,53206,HMDB0062243,"",,M00117,,NaN,"",,"",,,,,NaN,,,ZVXDGKJSUPWREP-FPLPWBNLSA-N,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h7-8H,2-6,9-13H2,1H3,(H,15,16)/b8-7-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00122,"8Z,11Z-Eicosadienoylcarnitine",C27H49NO4,0,0,0,,NaN,NaN,,"",,M00122,,NaN,"",,"",,,,,NaN,,,CHGSTOQVIYRPGT-QGLGPCELSA-N,"InChI=1S/C27H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h12-13,15-16,25H,5-11,14,17-24H2,1-4H3/b13-12-,16-15-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00123,"8Z,11Z-Eicosadienoyl Coenzyme A",C41H66N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00123,,NaN,"",,"",,,,,NaN,,,IDZIQDSITPCMGI-FQNAGHRMSA-N,"InChI=1S/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h11-12,14-15,28-30,34-36,40,51-52H,4-10,13,16-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/b12-11-,15-14-/t30-,34?,35?,36+,40-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP(=O)(O[H])O[H]
M00127,"Elaidic acid",C39H64N7O17P3S,-4,282.4614,282.2558803,C00712,445639,27997,HMDB0000573,"",,M00127,FDB002951,553123,"",,"Elaidic acid",DB04224,,,,3406,112-79-8,DTXSID8058619,ZQPPMHVWECSIRJ-MDZDMXLPSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00129,"9E-Tetradecenoyl Coenzyme A",C35H56N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00129,,NaN,"",,"",,,,,NaN,,,GIIFECKTWKZXGU-CTUIEXSOSA-J,"InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h7-8,22-24,28-30,34,45-46H,4-6,9-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b8-7+/t24-,28-,29-,30+,34-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00136,"(Adenosine-5'-Diphosphate-D-Ribosyl)N+1-Acceptor",X,0,0,0,C03245,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00137,"(Adenosine-5'-Diphosphate-D-Ribosyl)N-Acceptor",X,0,0,0,C03245,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00155,"1H-Indole-3-acetamide",C10H10N2O,0,174.1992,174.079313,C02693,397,16031,HMDB0029739,"",,,FDB000937,386,"",,"",,,,C00000108,NaN,879-37-8,DTXSID60236686,ZOAMBXDOGPRZLP-UHFFFAOYSA-N,"InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)",[H]N([H])C(=O)C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12
M00170,"(S)-3-Hydroxy-11-Cis-Octadecenoyl Coenzyme A",C39H64N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00170,,NaN,"",,"",,,,,NaN,,,SCDXBWNPJAGEEK-KBOAXVDLSA-J,"InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h9-10,25-28,32-34,38,47,50-51H,4-8,11-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b10-9-/t27-,28+,32+,33+,34-,38+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00172,"(S)-3-Hydroxy-7-Hexadecenoyl Coenzyme A",C37H60N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00172,,NaN,"",,"",,,,,NaN,,,KZLHPKRIEDLQGG-MFDGLVOUSA-N,"InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h11-12,23-26,30-32,36,45,48-49H,4-10,13-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b12-11-/t25?,26-,30+,31+,32?,36-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@@]([H])(O[H])[C@@]1([H])OP(=O)(O[H])O[H]
M00187,"Beta-Adrenergic-Receptor",C4H6N2O3R2,0,0,0,C01141,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00188,"Methionine Synthase-Cob(Ii)Alamin",C62H89CoN13O14P.C7H8N4O2R2,0,0,0,C06409,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([*])C(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])C1=C([H])N=C([H])N1[H].[H]OC([H])([H])[C@@]1([H])O[C@]([H])(N2C([H])=NC3=C2C([H])=C(C(=C3[H])C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[C@]([H])(C([H])([H])[H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])[C@]1(\C2=C(\C3=N\C(=C([H])/C4=N/C(=C(\C5=N[C@@](C([H])([H])[H])(C([H])(N2[Co+])[C@]1([H])C([H])([H])C(=O)N([H])[H])[C@@](C([H])([H])[H])(C([H])([H])C(=O)N([H])[H])[C@]5([H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])/[C@@](C([H])([H])[H])(C([H])([H])C(=O)N([H])[H])[C@]4([H])C([H])([H])C([H])([H])C(=O)N([H])[H])\C(C([H])([H])[H])(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])C([H])([H])[H]
M00189,"Methionine Synthase-Methylcob(I)Alamin",C63H92CoN13O14P.C7H8N4O2R2,0,0,0,C06410,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([*])C(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])C1=C([H])N=C([H])N1[H].[H]OC([H])([H])[C@@]1([H])O[C@]([H])(N2C([H])=NC3=C2C([H])=C(C(=C3[H])C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[C@]([H])(C([H])([H])[H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])[C@]1(\C2=C(\C3=N\C(=C([H])/C4=N/C(=C(\C5=N[C@@](C([H])([H])[H])(C([H])(N2[Co+]C([H])([H])[H])[C@]1([H])C([H])([H])C(=O)N([H])[H])[C@@](C([H])([H])[H])(C([H])([H])C(=O)N([H])[H])[C@]5([H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])/[C@@](C([H])([H])[H])(C([H])([H])C(=O)N([H])[H])[C@]4([H])C([H])([H])C([H])([H])C(=O)N([H])[H])\C(C([H])([H])[H])(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])C([H])([H])[H]
M00190,"Myosin-Light-Chain",C4H6N2O3R2,0,0,0,C01003,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00191,"Myosin-Light-Chain-Phosphate",C20H24N10O16P3,-2,0,0,C03875,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OP(=O)(O[H])OC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00192,"Phosphorylase-A",X,0,0,0,C02307,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00193,"Phosphorylase-B",X,0,0,0,C02308,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00194,"Protein C-Terminal S-Farnesyl-L-Cysteine",C20H33N2O3SR(C2H2NOR)n,0,0,0,C04506,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])[H])C([H])([H])SC([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
M00195,"Protein C-Terminal S-Farnesyl-L-Cysteine Methyl Ester",C21H35N2O3SR(C2H2NOR)n,0,0,0,C04748,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([H])[C@@]([H])([*])C(=O)N([H])[C@@]([H])([*])C(=O)N([H])[C@]([H])(C(=O)OC([H])([H])[H])C([H])([H])SC([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
M00196,"Protein",C2H4NO2R(C2H2NOR)n,0,0,0,C00017,NaN,16541,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])[H]
M00197,"Protein-L-Arginine",C6H12N4O,0,0,0,C00613,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00199,"Citrulline",C6H11N3O2,0,175.1857,175.0956913,C00327,9750,16349,HMDB0000904,"",,,FDB011841,9367,"L-CITRULLINE",,"Citrulline",DB00155,,,C00001348,16,372-75-8,DTXSID80883373,RHGKLRLOHDJJDR-BYPYZUCNSA-N,"InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)N([H])[H]
M00200,"Protein-L-Cysteine",C3H5NOS,0,0,0,C02743,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]SC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00201,"Protein-Glutamine",C5H8N2O2,0,0,0,C02583,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00202,"Protein-L-Isoaspartate",C5H6N2O4R2,0,0,0,C03306,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])C(=O)N([H])[*]
M00203,"Protein-L-Isoaspartate-Methyl-Ester",C6H8N2O4R2,0,0,0,C04311,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([*])C(=O)C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)OC([H])([H])[H]
M00206,"Protein-Tyrosine",C9H9NO2,0,0,0,C00585,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00207,"Protein-N5-Alkylglutamine",C6H8N3O3R3,0,0,0,C03636,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00208,"Protein N6-(Dihydrolipoyl)Lysine",C8H16NOS2R,0,0,0,C16832,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]SC([H])([H])C([H])([H])C([H])(S[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[*]
M00209,"Protein N6-(Lipoyl)Lysine",C8H14NOS2R,0,0,0,C16237,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([*])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])SSC([H])([H])C1([H])[H]
M00210,"Protein N6-(Octanoyl)Lysine",C8H16NOR,0,0,0,C16236,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([*])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00213,"Protein N6-Methyl-L-Lysine",C8H15N3O2R2,0,0,0,C05544,NaN,NaN,,"",,M00213,,NaN,"",,"",,,,,NaN,,,,"",[H]N([*])C(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])[H]
M00214,"Protein-N-Ubiquityllysine",X,0,0,0,C03635,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00215,"Protein-Omega-N-(Adenosine-5'-Diphosphate-D-Ribosyl)-L-Arginine",C22H34N10O15P2R2,0,0,0,C16011,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])(O[C@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C3N=C([H])N=C4N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H])N([H])C(=N[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00216,"Protein-S-Methyl-L-Cysteine",C5H8N2O2SR2,0,0,0,C03800,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([*])C(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])SC([H])([H])[H]
M00217,"Protein-Tyrosine-O-Sulfate",C10H10N2O6SR2,0,0,0,C03721,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OS(=O)(=O)OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00218,"Protein Tyrosine Phosphate",C10H11N2O6PR2,0,0,0,C01167,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OP(=O)(O[H])OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00219,"[Pyruvate Dehydrogenase (Acetyl-Transferring)]",C4H6N2O3R2,0,0,0,C01256,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00220,"Hydrogen phosphate",C4H5N2O6PR2,-2,95.9793,95.96124503,C01293,57424078,43474,HMDB0000973,"",,,FDB022346,2913859,"",,"Hydrogen phosphate",,,,,NaN,14066-19-4,DTXSID10394962,NBIIXXVUZAFLBC-UHFFFAOYSA-L,"",[H]OP(=O)(O[H])OC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00222,"LysoPA(P-16:0e/0:0)",C5H10O6PR,0,394.4831,394.2484255,C15646,52929772,NaN,HMDB0011154,"",,,FDB027929,24766520,"",,"",,,,,NaN,,,LBGSRVIXIVDRQM-OAXWQBPPSA-N,"",[H]O[C@]([H])(C([H])([H])O\C([H])=C(\[H])[*])C([H])([H])OP(=O)(O[H])O[H]
M00223,"1-(1-Alkenyl)-Sn-Glycero-3-Phosphoethanolamine",C7H15NO6PR,0,0,0,C04635,NaN,15785,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]([H])(C([H])([H])OC([H])=C([H])[*])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
M00224,"1-(1-Alkenyl)-Sn-Glycerol",C5H9O3R,0,0,0,C15645,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@]([H])(O[H])C([H])([H])O\C([H])=C(\[H])[*]
M00225,"1-(3-Pyridinyl)-1,4-butanediol",C9H13NO2,0,167.208,167.0946287,C19582,156653,82576,HMDB0062266,"",,,,NaN,"",,"",,,,,NaN,76014-83-0,,RGJHRVMTLGLFPX-UHFFFAOYSA-N,"InChI=1S/C9H13NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9,11-12H,2,4,6H2",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])(O[H])C1=C([H])N=C([H])C([H])=C1[H]
M00226,"1-(Methylnitrosoamino)-4-(3-Pyridinyl)-1,4-Butanediol",C10H15N3O3,0,0,0,C19577,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ZDEMEBJTHIDHSF-UHFFFAOYSA-N,"InChI=1S/C10H15N3O3/c1-13(12-16)10(15)5-4-9(14)8-3-2-6-11-7-8/h2-3,6-7,9-10,14-15H,4-5H2,1H3",[H]OC([H])(N(N=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])(O[H])C1=C([H])N=C([H])C([H])=C1[H]
M00227,"1,1-Dichloroethylene epoxide",C2H2Cl2O,0,112.943,111.9482701,,NaN,NaN,HMDB0060333,"",,,,NaN,"",,"",,,,,NaN,,DTXSID90218399,DPVAHOUXGQHEOI-UHFFFAOYSA-N,"InChI=1S/C2H2Cl2O/c3-2(4)1-5-2/h1H2",[H]C1([H])OC1(Cl)Cl
M00228,"1,1-Dichloroethylene",C2H2Cl2,0,96.94000244,95.9533555,C14039,6366,34031,,"",,,,6126,"",,"Vinylidene_chloride",,,,,NaN,75-35-4,DTXSID8021438,LGXVIGDEPROXKC-UHFFFAOYSA-N,"InChI=1S/C2H2Cl2/c1-2(3)4/h1H2",[H]C([H])=C(Cl)Cl
M00229,"1,2,3,4-Tetrahydro-Alpha,7-Dihydroxy-Beta-(Hydroxymethyl)-9-Methoxy-3,4-Dioxocyclopenta[C][1]Benzopyran-6-Propanal",C17H16O8,0,0,0,C19591,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XSQLDUBMTHWWOR-UHFFFAOYSA-N,"InChI=1S/C17H16O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,6,8,11,18,21-22H,2-3,5H2,1H3",[H]OC1=C(C2=C(C3=C(C(=O)C([H])([H])C3([H])[H])C(=O)O2)C(OC([H])([H])[H])=C1[H])C([H])(C([H])([H])O[H])C([H])(O[H])C([H])=O
M00232,"1,2-D-Glucosyl-5-D-(Galactosyloxy)-L-Lysine-Procollagen",C19H33N3O13R2,0,0,0,C04759,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[C@@]([H])(C([H])([H])N([H])[H])C([H])([H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M00234,"1,2-Diacylglycerol-Chylomicron-Pool",C5H6O5R2,0,0,0,C00641,NaN,17815,,"1,2-diacyl-sn-glycerol",,M00234,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
M00241,"1,2-Diacylglycerol-VLDL-Pool",C5H6O5R2,0,0,0,C00641,NaN,17815,,"1,2-diacyl-sn-glycerol",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O
M00242,"1,2-Dibromoethane",C2H4Br2,0,187.861,185.8679754,,NaN,28534,HMDB0060334,"",,,,NaN,"12-DIBROMOETHANE",,"1,2-Dibromoethane",,,,,NaN,,DTXSID3020415,PAAZPARNPHGIKF-UHFFFAOYSA-N,"InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2",[H]C([H])(Br)C([H])([H])Br
M00243,"1,2-Dihydronaphthalene-1,2-Diol",C10H10O2,0,0,0,C06205,NaN,28516,,"",,,,NaN,"",,"",,,,,NaN,,,QPUHWUSUBHNZCG-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H",[H]OC1([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C2C1([H])O[H]
M00244,"1,2-Dihydroxy-3,4-epoxy-1,2,3,4-tetrahydronaphthalene",C10H10O3,0,178.187,178.0629942,C14784,186920,34048,HMDB0062273,"",,,,NaN,"",,"",,,,,NaN,75947-54-5,,XDSJRQRRQDAPNL-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c11-7-5-3-1-2-4-6(5)9-10(13-9)8(7)12/h1-4,7-12H",[H]OC1([H])C2=C([H])C([H])=C([H])C([H])=C2C2([H])OC2([H])C1([H])O[H]
M00245,"1,2-Dihydroxy-3-keto-5-methylthiopentene",C6H10O3S,0,162.207,162.0350649,C15606,5462190,49252,HMDB0012134,"",,M00245,FDB028796,4575316,"",,"",,,,,NaN,746507-19-7,,CILXJJLQPTUUSS-XQRVVYSFSA-N,"InChI=1S/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3/b6-4-",[H]O\C([H])=C(/O[H])C(=O)C([H])([H])C([H])([H])SC([H])([H])[H]
M00246,"1,2-Naphthoquinone",C10H6O2,0,158.1560059,158.0367794,C14783,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,524-42-5,DTXSID2060171,KETQAJRQOHHATG-UHFFFAOYSA-N,"InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H",[H]C1=C([H])C([H])=C2C(C([H])=C([H])C(=O)C2=O)=C1[H]
M00250,"1,4-Dihydroxynaphthalene",C10H8O2,0,160.1719971,160.0524295,C14785,NaN,34063,,"",,,,NaN,"",,"",,,,,NaN,571-60-8,DTXSID5060350,PCILLCXFKWDRMK-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H",[H]OC1=C([H])C([H])=C(O[H])C2=C([H])C([H])=C([H])C([H])=C12
M00251,"1,4-Naphthoquinone",C10H6O2,0,158.1560059,158.0367794,C02617,NaN,27418,,"",,,,NaN,"",,"",,,,,65798,130-15-4,DTXSID5040704,FRASJONUBLZVQX-UHFFFAOYSA-N,"InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H",[H]C1=C([H])C2=C(C([H])=C1[H])C(=O)C([H])=C([H])C2=O
M00260,"10Z,13Z,16Z,19Z-Docosatetraenoic Acid",C22H35O2,-1,0,0,,NaN,NaN,,"",,M00260,,NaN,"",,"",,,,,NaN,,,IGFLWIHPPADNDL-LTKCOYKYSA-N,"InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13H,2,5,8,11,14-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
M00261,"10Z,13Z,16Z,19Z-Docosatetraenoylcarnitine",C29H49NO4,0,0,0,,NaN,NaN,,"",,M00261,,NaN,"",,"",,,,,NaN,,,DZMCTWIUTJHPSM-DOFZRALJSA-N,"InChI=1S/C29H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,9-10,12-13,15-16,27H,5,8,11,14,17-26H2,1-4H3/b7-6-,10-9-,13-12-,16-15-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M00263,"10Z,13Z,16Z-Docosatrienoylcarnitine",C29H51NO4,0,0,0,,NaN,NaN,,"",,M00263,,NaN,"",,"",,,,,NaN,,,LXPNJPQMUSVYIJ-YOILPLPUSA-N,"InChI=1S/C29H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h9-10,12-13,15-16,27H,5-8,11,14,17-26H2,1-4H3/b10-9-,13-12-,16-15-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00265,"10Z,13Z,16Z-Docosatriynoic Acid",C22H37O2,-1,0,0,,NaN,NaN,,"",,M00265,,NaN,"",,"",,,,,NaN,,,RILVNGKQIULBOQ-QNEBEIHSSA-N,"InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13H,2-5,8,11,14-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00276,"11,12,15-Trihydroxyeicosatrienoic Acid",C20H33O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PRMWQIVYOYCJQC-YZSNCDGGSA-N,"InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])(O[H])C([H])(O[H])C(\[H])=C(/[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00277,"11,12-Dihydroxy-5Z,8Z,14Z-Eicosatrienoic Acid",C20H33O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LRPPQRCHCPFBPE-KROJNAHFSA-N,"InChI=1S/C20H34O4/c1-2-3-4-5-9-12-15-18(21)19(22)16-13-10-7-6-8-11-14-17-20(23)24/h6,8-10,12-13,18-19,21-22H,2-5,7,11,14-17H2,1H3,(H,23,24)/b8-6-,12-9-,13-10-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])(O[H])C([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00280,"11,14,15-Trihydroxy-5Z,8Z,12E-Eicosatrienoic Acid",C20H33O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YCFPVUKKIWMCJK-LTCHCNGXSA-N,"InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])(O[H])C(\[H])=C(/[H])C([H])(O[H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00283,"11b,17a,21-Trihydroxypreg-nenolone",C21H32O5,0,364.4758,364.2249741,C05489,440708,NaN,HMDB0006760,"",,,FDB024064,389583,"",,"",,,,,NaN,,,HAFVWTUQBYRPOB-WXEVJGDQSA-N,"InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h3,13-16,18,22-24,26H,4-11H2,1-2H3/t13-,14?,15?,16-,18?,19-,20-,21-/m0/s1",[H]OC([H])([H])C(=O)[C@@]1(O[H])C([H])([H])C([H])([H])C2([H])C3([H])C([H])([H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])[C@@]([H])(O[H])C([H])([H])[C@]12C([H])([H])[H]
M00285,"11b-Hydroxyprogesterone",C21H30O3,0,332.4339,332.1987594,C05498,44263342,NaN,HMDB0004031,"",,M00285,FDB023284,24840621,"",,"",,,,,7005,600-57-7,,BFZHCUBIASXHPK-GCEOMYSDSA-N,"InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15?,16-,17?,18+,19?,20+,21-/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]([H])(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C2([H])C2([H])C([H])([H])C([H])([H])C3=C([H])C(=O)C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C12[H]
M00292,"11-Cis-Retinyl-Palmitate",C36H60O2,0,0,0,C03455,NaN,NaN,,"",,,,NaN,"",,"",,,,,53832,,,VYGQUTWHTHXGQB-YEXJKBCSSA-N,"InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20-,27-26+,31-22+,32-28-",[H]\C(=C(/[H])C(=C([H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H])\C(\[H])=C(\C(\[H])=C(/[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H]
M00296,"11-Hydroxy-14,15-Epoxy-5Z,8Z,12E-Eicosatrienoic Acid",C20H31O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WLMZMBKVRPUYIG-LTCHCNGXSA-N,"InChI=1S/C20H32O4/c1-2-3-9-13-18-19(24-18)16-15-17(21)12-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])(O[H])C(\[H])=C(/[H])C1([H])OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00297,"11-HETE",C20H31O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GCZRCCHPLVMMJE-RLZWZWKOSA-N,"InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00304,"11-trans-LTE4",C23H37NO5S,0,439.61,439.2392445,,5283136,72779,HMDB0062286,"",,,,NaN,"",,"",,,,,NaN,,,OTZRAYGBFWZKMX-DVFCZEDWSA-N,"InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9+,12-11+,16-13+/t19-,20-,21+/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@]([H])(SC([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00310,"12(13)-Epoxy-6Z,9Z-Octadecadienoic Acid",C18H29O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,TVHXKPMFCYEQTM-LGXSBLIVSA-N,"InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h4-5,8,11,16-17H,2-3,6-7,9-10,12-15H2,1H3,(H,19,20)/b5-4-,11-8+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C1([H])OC1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00315,"12Z,15Z,18Z,21Z-Tetracosatetraenoic Acid",C24H39O2,-1,0,0,,NaN,NaN,,"",,M00315,,NaN,"",,"",,,,,NaN,,,IWSADGAQVYYXMM-LTKCOYKYSA-N,"InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13H,2,5,8,11,14-23H2,1H3,(H,25,26)/b4-3-,7-6-,10-9-,13-12-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
M00316,"12Z,15Z,18Z,21Z-Tetracosatetraenoylcarnitine",C31H53NO4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GQZSZGPMCFHVHE-UXGBKZFVSA-N,"InChI=1S/C31H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(32(2,3)4)27-28-30(33)34/h6-7,9-10,12-13,15-16,29H,5,8,11,14,17-28H2,1-4H3/b7-6-,10-9?,13-12-,16-15-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([H])([H])C([O-])=O)[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M00320,"5S,12S-Dihydroxy-6Z,8E,10E,14Z-Eicosatetraenoic Acid",C20H31O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VNYSSYRCGWBHLG-LRNSMHPUSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10?,15-11-/t18-,19+/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])[C@]([H])(O[H])C(\[H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00321,"12R-Hydroxy-5Z,8Z,12Z-Eicosatrienoic Acid",C20H33O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,RFAKHEWADWLSJX-ZIQRGBBDSA-N,"InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13,19,21H,2-6,12,14-18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-/t19-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00334,"12-KETE",C20H29O3,-1,318.4504,318.2194948,C14807,5283162,34151,HMDB0013633,"",,,FDB029609,4446286,"",,"",,,,,NaN,108437-64-5,DTXSID00390599,GURBRQGDZZKITB-QGXLQBIUSA-N,"InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14?",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])C(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00336,"13S-hydroxyoctadecadienoic acid",C18H31O3,-1,296.4449,296.2351449,C14762,6443013,34154,HMDB0004667,"",,,FDB023395,4947055,"",,"",,,,,NaN,5204-88-6,,HNICUWMFWZBIFP-IRQZEAMPSA-N,"InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00338,"11,15-Dioxo-9S-Hydroxy-5Z-Prostenoic Acid",C20H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VSRXYLYXIXYEST-OKYBNHCASA-N,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16-18,22H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4-/t16-,17-,18+/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@@]1([H])[C@@]([H])(O[H])C([H])([H])C(=O)[C@]1([H])C([H])([H])C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00341,"Docosatrienoic acid",C22H37O2,-1,334.5359,334.2871805,,5312557,1038735,HMDB0002823,"",,M00341,FDB019146,4471982,"",,"",,,,,195,28845-86-5,,WBBQTNCISCKUMU-IUQGRGSQSA-N,"InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10H,2,5,8,11-21H2,1H3,(H,23,24)/b4-3+,7-6+,10-9+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H]
M00342,"13Z,16Z,19Z-Docosatrienoylcarnitine",C29H51NO4,0,0,0,,NaN,NaN,,"",,M00342,,NaN,"",,"",,,,,NaN,,,OCGDLIUNELUBCT-QNEBEIHSSA-N,"InChI=1S/C29H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,9-10,12-13,27H,5,8,11,14-26H2,1-4H3/b7-6-,10-9-,13-12-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
M00343,"13Z,16Z,19Z-Docosatrienoyl Coenzyme A",C43H68N7O17P3S,-4,0,0,,NaN,NaN,,"",,M00343,,NaN,"",,"",,,,,NaN,,,DQQAMGWQUZPGGR-VLXGOXSMSA-J,"InChI=1S/C43H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,30-32,36-38,42,53-54H,4,7,10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-/t32-,36-,37-,38+,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00364,"14,15-Dihydroxy-5Z,8Z,11Z-Eicosatrienoic Acid",C20H33O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SYAWGTIVOGUZMM-ILYOTBPNSA-N,"InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])(O[H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00377,"15S-Hydroxy-5Z,8Z,11Z,13E-Eicosatetraenoic Acid",C20H31O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JSFATNQSLKRBCI-VAEKSGALSA-N,"InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00381,"9S-Hydroxy-11,15-Dioxo-5Z,13E-Prostadienoic Acid",C20H29O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XEQAHADLFLAPQL-AQDJLICYSA-N,"InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-18,22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@]1([H])[C@@]([H])(C(\[H])=C(/[H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)C([H])([H])[C@]1([H])O[H]
M00382,"9S-Hydroxy-11-Oxo-5Z,12E,14E-Prostatrienoic Acid",C20H29O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,QUGBPWLPAUHDTI-HZKWRGKMSA-N,"InChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t17-,19+/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@]1([H])\C(=C(\[H])/C(/[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(=O)C([H])([H])[C@]1([H])O[H]
M00383,"11-Oxo-5Z,9,12E,14E-Prostatetraenoic Acid",C20H27O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VHRUMKCAEVRUBK-GODQJPCRSA-N,"InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@@]1([H])C([H])=C([H])C(=O)\C1=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00390,"11,12-Epoxy-15S-Hydroxy-5Z,8Z,13E-Eicosatrienoic Acid",C20H31O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GELFSVXLSDZDHE-YZSNCDGGSA-N,"InChI=1S/C20H32O4/c1-2-3-9-12-17(21)15-16-19-18(24-19)13-10-7-5-4-6-8-11-14-20(22)23/h4,6-7,10,15-19,21H,2-3,5,8-9,11-14H2,1H3,(H,22,23)/b6-4-,10-7-,16-15+/t17-,18?,19?/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C1([H])OC1([H])C(\[H])=C(/[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00392,"9S,11R-Dihydroxy-15-Oxo-5Z,13E-Prostadienoic Acid",C20H31O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LOLJEILMPWPILA-BUTRDJLRSA-N,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17-,18+,19-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@@]1([H])[C@@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])[C@]1([H])C(\[H])=C(/[H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00393,"15-KETE",C20H29O3,-1,318.4504,318.2194948,C04577,5280701,15559,HMDB0010210,"",,,FDB027365,4444287,"",,"",,,,,NaN,81416-72-0,,YGJTUEISKATQSM-USWFWKISSA-N,"InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00396,"16R-Hydroxy-5Z,8Z,11Z,14Z-Eicosatetraenoic Acid",C20H31O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JEKNPVYFNMZRJG-IFOZKBMWSA-N,"InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-/t19-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00405,"17a,20a-Dihydroxycholesterol",C27H46O3,0,418.6523,418.3446953,C05499,53477898,783,HMDB0006764,"",,,FDB024067,NaN,"",,"",,,,,NaN,,,PRZXKPDANWDCNC-DEFXBDIRSA-N,"InChI=1S/C27H46O3/c1-18(2)7-6-13-26(5,29)27(30)16-12-23-21-9-8-19-17-20(28)10-14-24(19,3)22(21)11-15-25(23,27)4/h8,18,20-23,28-30H,6-7,9-17H2,1-5H3/t20-,21?,22?,23?,24-,25-,26+,27+/m0/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])[C@](O[H])([C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
M00406,"17alpha,21-Dihydroxypregnenolone",C21H32O4,0,348.4764,348.2300595,C05487,192735,27832,HMDB0006762,"",,M00406,FDB024065,167253,"",,"",,,,,NaN,1167-48-2,,JNHJGXQUDOYJAK-LQMCTMSCSA-N,"InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h3,14-17,22-23,25H,4-12H2,1-2H3/t14-,15?,16?,17?,19-,20-,21-/m0/s1",[H]OC([H])([H])C(=O)[C@@]1(O[H])C([H])([H])C([H])([H])C2([H])C3([H])C([H])([H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
M00414,"17-Hydroxy-5Z,8Z,11Z,14Z-Eicosatetraenoic Acid",C20H31O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OPPIPPRXLIDJKN-JPURVOHMSA-N,"InChI=1S/C20H32O3/c1-2-16-19(21)17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-20(22)23/h3,5-6,8-9,11-12,14,19,21H,2,4,7,10,13,15-18H2,1H3,(H,22,23)/b5-3-,8-6-,11-9-,14-12-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[H]
M00424,"18-Carboxy Dinor Leukotriene B4",C18H24O6,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XWRIIHRGMKHPHN-IFPXAZRNSA-N,"InChI=1S/C18H26O6/c19-15(11-6-3-7-13-17(21)22)9-4-1-2-5-10-16(20)12-8-14-18(23)24/h1-6,9-10,15-16,19-20H,7-8,11-14H2,(H,21,22)(H,23,24)/b2-1+,6-3?,9-4+,10-5-/t15-,16+/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@@]([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H]
M00426,"18-Hydroxy-5Z,8Z,11Z,14Z-Eicosatetraenoic Acid",C20H31O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PPCHNRUZQWLEMF-XBOCNYGYSA-N,"InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])[H]
M00429,"18-Hydroxycorticosterone",C21H30O5,0,0,0,,NaN,NaN,,"",,M00429,,NaN,"",,"",,,,,NaN,,,HFSXHZZDNDGLQN-LHIFZNGDSA-N,"InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14?,15?,16-,17+,19?,20+,21-/m0/s1",[H]OC([H])([H])C(=O)[C@@]1([H])C([H])([H])C([H])([H])C2([H])C3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])[C@@]([H])(O[H])C([H])([H])[C@]12C([H])([H])O[H]
M00430,"19S-Hydroxy-5Z,8Z,11Z,14Z-Eicosatetraenoic Acid",C20H31O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XFUXZHQUWPFWPR-QPOJLOMQSA-N,"InChI=1S/C20H32O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12,19,21H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9?,12-10-/t19-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[H]
M00431,"19-Hydroxyandrostenedione",C19H26O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ATRIVBMELCYOJK-OWFNXAGYSA-N,"InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h6,9,12,14-16,20H,2-5,7-8,10-11H2,1H3/t12?,14-,15-,16-,18-,19+/m0/s1",[H]OC([H])([H])[C@]12C([H])=C([H])C(=O)C([H])([H])C1([H])C([H])([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])C(=O)[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
M00433,"19-Oxoandrostenedione",C19H24O3,0,300.3920593,300.1725446,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,968-49-0,DTXSID00242509,XRCFMDPVHKVRDJ-BGJMDTOESA-N,"InChI=1S/C19H24O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-16H,2-9H2,1H3/t14-,15-,16-,18-,19+/m0/s1",[H]C(=O)[C@@]12C(=C([H])C(=O)C([H])([H])C1([H])[H])C([H])([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])C(=O)[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
M00434,"19-Oxotestosterone",C19H26O3,0,302.4079,302.1881947,C05295,7048589,17347,HMDB0003959,"",,,FDB023274,13628409,"19-OXO-TESTOSTERONE",,"Testim",DB00624,,,,6991,4075-13-2,,TXNCGXATKOMEQC-KOUJMVCDSA-N,"InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-17,22H,2-9H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])=O)[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
M00435,"1A,11B-Dihydro-4,9-Dimethylbenz[A]Anthra[3,4-B]Oxirene",C20H16O,0,0,0,C19489,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UZKWBBZEYBCHIN-UHFFFAOYSA-N,"InChI=1S/C20H16O/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18-20(17)21-18/h3-10,18,20H,1-2H3",[H]C1=C([H])C2=C(C3=C(C4=C(C([H])=C3[H])C3([H])OC3([H])C([H])=C4[H])C(=C2C([H])=C1[H])C([H])([H])[H])C([H])([H])[H]
M00436,"1-Acylglycerol-3P-10,13,16,19-Doco",C25H41O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,KARLIJKROVESIP-UBXZGHBNSA-N,"InChI=1S/C25H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h3-4,6-7,9-10,12-13,24,26H,2,5,8,11,14-23H2,1H3,(H2,28,29,30)/b4-3+,7-6+,10-9+,13-12+/t24-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00437,"1-Acylglycerol-3P-10,13,16-Docosa",C25H37O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YJDLHQUZSFUJGW-PJBCHDMKSA-N,"InChI=1S/C25H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h6-7,9-10,12-13,24,26H,2-5,8,11,14-23H2,1H3,(H2,28,29,30)/b7-6+,10-9+,13-12+/t24-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00438,"1-Acylglycerol-3P-10-Heptade",C20H37O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VCCMYKUIJIFAOQ-UCFODXPJSA-N,"InChI=1S/C20H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)26-17-19(21)18-27-28(23,24)25/h7-8,19,21H,2-6,9-18H2,1H3,(H2,23,24,25)/b8-7+/t19-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00439,"1-Acylglycerol-3P-11,14,17-Eico",C23H39O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DMZXKNSNIJKINA-LXLZSIJESA-N,"InChI=1S/C23H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h3-4,6-7,9-10,22,24H,2,5,8,11-21H2,1H3,(H2,26,27,28)/b4-3+,7-6+,10-9+/t22-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00440,"1-(11Z,14Z-Eicosadienoyl)-Glycero-3-Phosphate",C23H41O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PIWSAHYRIXOITD-DRIBPHMRSA-N,"InChI=1S/C23H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h6-7,9-10,22,24H,2-5,8,11-21H2,1H3,(H2,26,27,28)/b7-6?,10-9-/t22-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00441,"1-(11Z-Docosenoyl)-Glycero-3-Phosphate",C25H47O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SNGZFCPKZNNZFT-QXMHVHEDSA-N,"InChI=1S/C25H49O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h11-12,24,26H,2-10,13-23H2,1H3,(H2,28,29,30)/b12-11-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00442,"1-(11Z-Eicosenoyl)-Glycero-3-Phosphate",C23H43O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OAYFHKCHTMNTLM-DYYZXQNHSA-N,"InChI=1S/C23H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h9-10,22,24H,2-8,11-21H2,1H3,(H2,26,27,28)/b10-9-/t22-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00443,"1-Acylglycerol-3P-12,15,18,21-Tetra",C27H45O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PBDSSLZJFJNZRY-JEBUAXPUSA-N,"InChI=1S/C27H47O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)33-24-26(28)25-34-35(30,31)32/h3-4,6-7,9-10,12-13,26,28H,2,5,8,11,14-25H2,1H3,(H2,30,31,32)/b4-3+,7-6+,10-9+,13-12+/t26-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00444,"1-Acylglycerol-3P-13,16,19-Doco",C25H43O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GRAXTJJQRVIKFC-VKZRBKSOSA-N,"InChI=1S/C25H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h3-4,6-7,9-10,24,26H,2,5,8,11-23H2,1H3,(H2,28,29,30)/b4-3+,7-6+,10-9+/t24-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00445,"1-(13Z,16Z-Docosadienoyl)-Glycero-3-Phosphate",C25H45O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GFXKNONHFFXXOL-HZJYTTRNSA-N,"InChI=1S/C25H47O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h6-7,9-10,24,26H,2-5,8,11-23H2,1H3,(H2,28,29,30)/b7-6-,10-9-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00446,"1-Acylglycerol-3P-13-Docose",C25H47O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UXYLIEZFFBAJAG-HBRDYDSTSA-N,"InChI=1S/C25H49O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h9-10,24,26H,2-8,11-23H2,1H3,(H2,28,29,30)/b10-9+/t24-/m1/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00447,"1-Acylglycerol-3P-13-Eicose",C23H43O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UWPUIZDFMSIUMM-DORXLWPQSA-N,"InChI=1S/C23H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h7-8,22,24H,2-6,9-21H2,1H3,(H2,26,27,28)/b8-7+/t22-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00448,"1-Acylglycerol-3P-13-Octade",C21H39O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DZDOUPCGVWOUKA-XJDXJNMNSA-N,"InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h5-6,20,22H,2-4,7-19H2,1H3,(H2,24,25,26)/b6-5+/t20-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00449,"1-Acylglycerol-3P-15-Tetra",C27H51O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LUOJYKBTQKAEPP-OGJPMFGRSA-N,"InChI=1S/C27H53O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)33-24-26(28)25-34-35(30,31)32/h9-10,26,28H,2-8,11-25H2,1H3,(H2,30,31,32)/b10-9+/t26-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00450,"1-(4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoyl)-Glycero-3-Phosphate",C25H37O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UWHSPTWBPTXYMF-WGXDANRYSA-N,"InChI=1S/C25H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h3-4,6-7,9-10,12-13,15-16,18-19,24,26H,2,5,8,11,14,17,20-23H2,1H3,(H2,28,29,30)/b4-3?,7-6?,10-9-,13-12-,16-15-,19-18-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00451,"1-Acylglycerol-3P-4,7,10,13,16-Docosa",C25H39O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BAJTXVWXVJSULG-JGUSGSGWSA-N,"InChI=1S/C25H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h6-7,9-10,12-13,15-16,18-19,24,26H,2-5,8,11,14,17,20-23H2,1H3,(H2,28,29,30)/b7-6+,10-9+,13-12+,16-15+,19-18+/t24-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00452,"1-(5Z,8Z,11Z,14Z,17Z-Eicosapentaenoyl)-Glycero-3-Phosphate",C23H35O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DKFJPTBTSHHMCQ-NJALTABKSA-N,"InChI=1S/C23H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h3-4,6-7,9-10,12-13,15-16,22,24H,2,5,8,11,14,17-21H2,1H3,(H2,26,27,28)/b4-3?,7-6?,10-9-,13-12-,16-15-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00453,"1-Acylglycerol-3P-5,8,11-Eico",C23H39O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GSDLIEVAGUEBCL-WLWXPVBDSA-N,"InChI=1S/C23H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h9-10,12-13,15-16,22,24H,2-8,11,14,17-21H2,1H3,(H2,26,27,28)/b10-9+,13-12+,16-15+/t22-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00454,"1-Acylglycerol-3P-5-Tetrade",C17H31O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PZYYQHYNDLHLRZ-SCOAYWHSSA-N,"InChI=1S/C17H33O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h9-10,16,18H,2-8,11-15H2,1H3,(H2,20,21,22)/b10-9+/t16-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00455,"1-Acylglycerol-3P-6,9,12,15,18,21-Tetra",C27H41O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YPYHOFRCFHPRMI-HMOKEWCGSA-N,"InChI=1S/C27H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)33-24-26(28)25-34-35(30,31)32/h3-4,6-7,9-10,12-13,15-16,18-19,26,28H,2,5,8,11,14,17,20-25H2,1H3,(H2,30,31,32)/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+/t26-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00456,"1-Acylglycerol-3P-6,9,12,15,18-Tetraco",C27H43O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YFCJDVVPMISFEK-UPZXKYDSSA-N,"InChI=1S/C27H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)33-24-26(28)25-34-35(30,31)32/h6-7,9-10,12-13,15-16,18-19,26,28H,2-5,8,11,14,17,20-25H2,1H3,(H2,30,31,32)/b7-6+,10-9+,13-12+,16-15+,19-18+/t26-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00457,"1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-Glycero-3-Phosphate",C21H33O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,AHLQLKDUCYXYLC-LTKCOYKYSA-N,"InChI=1S/C21H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,12-13,20,22H,2,5,8,11,14-19H2,1H3,(H2,24,25,26)/b4-3-,7-6-,10-9-,13-12-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00458,"1-Acylglycerol-3P-6,9-Octa",C21H37O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XWPQFIILNNYTFC-KDNKUCRHSA-N,"InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,12-13,20,22H,2-8,11,14-19H2,1H3,(H2,24,25,26)/b10-9+,13-12+/t20-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00459,"1-Acylglycerol-3P-7,10,13,16,19-Docosa",C25H39O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MAVJZWJXRPSWDK-DMYJNBFYSA-N,"InChI=1S/C25H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h3-4,6-7,9-10,12-13,15-16,24,26H,2,5,8,11,14,17-23H2,1H3,(H2,28,29,30)/b4-3+,7-6+,10-9+,13-12+,16-15+/t24-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00460,"1-(7Z,10Z,13Z,16Z-Docosatetraenoyl)-Glycero-3-Phosphate",C25H41O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,KSDVXYAHZXLGDS-AVHBIOJASA-N,"InChI=1S/C25H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h6-7,9-10,12-13,15-16,24,26H,2-5,8,11,14,17-23H2,1H3,(H2,28,29,30)/b7-6-,10-9-,13-12+,16-15-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00461,"1-Acylglycerol-3P-7-Hexade",C19H35O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YVKSLWWHDIPMOC-BBVFFXRHSA-N,"InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h9-10,18,20H,2-8,11-17H2,1H3,(H2,22,23,24)/b10-9+/t18-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00462,"1-Acylglycerol-3P-7-Octade",C21H39O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YCOPNGNHTHCYKQ-SGWGQVFISA-N,"InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h11-12,20,22H,2-10,13-19H2,1H3,(H2,24,25,26)/b12-11+/t20-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00463,"1-Acylglycerol-3P-7-Tetrade",C17H33O7P,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00464,"1-Acylglycerol-3P-8,11,14,17-Eico",C23H37O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00465,"1-Acylglycerol-3P-8,11-Eico",C23H41O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00466,"1-Acylglycerol-3P-9,12,15,18,21-Tetra",C27H43O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00467,"1-Acylglycerol-3P-9,12,15,18-Tetraco",C27H45O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00468,"1-Acylglycerol-3P-9-Eicose",C23H43O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,RWFBDFHLJRCGEZ-LEQVUBRHSA-N,"InChI=1S/C23H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h11-12,22,24H,2-10,13-21H2,1H3,(H2,26,27,28)/b12-11+/t22-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00469,"1-(9Z-Heptadecenoyl)-Sn-Glycero-3-Phosphate (Ammonium Salt)",C20H37O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PIVUMJCNAUHUPL-QWUACUGRSA-N,"InChI=1S/C20H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)26-17-19(21)18-27-28(23,24)25/h8-9,19,21H,2-7,10-18H2,1H3,(H2,23,24,25)/b9-8-/t19-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00470,"1-Acylglycerol-3P-9-Octade",C21H39O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WRGQSWVCFNIUNZ-XTXLJPNXSA-N,"InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9+/t20-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00471,"1-(9Z-Tetradecenoyl)-Glycero-3-Phosphate",C17H31O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,IQSHJASKBUVXAG-WAYWQWQTSA-N,"InChI=1S/C17H33O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h5-6,16,18H,2-4,7-15H2,1H3,(H2,20,21,22)/b6-5-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00474,"1-Acylglycerol-3P-Cis-Vac",C21H39O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LWSYATLSXCUNTB-AQWUKCDYSA-N,"InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h7-8,20,22H,2-6,9-19H2,1H3,(H2,24,25,26)/b8-7-/t20-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00476,"1-(8Z,11Z,14Z-Eicosatrienoyl)-Glycero-3-Phosphate",C23H39O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LZSKMXWVALYCLG-QNEBEIHSSA-N,"InChI=1S/C23H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h6-7,9-10,12-13,22,24H,2-5,8,11,14-21H2,1H3,(H2,26,27,28)/b7-6-,10-9-,13-12-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00477,"1-Docosanoyl-Glycero-3-Phosphate",C25H49O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SQNPGTTUWWZACK-UHFFFAOYSA-N,"InChI=1S/C25H51O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h24,26H,2-23H2,1H3,(H2,28,29,30)",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00478,"1-Eicosanoyl-Glycero-3-Phosphate",C23H45O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NWCZIQDBEQKZSD-UHFFFAOYSA-N,"InChI=1S/C23H47O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h22,24H,2-21H2,1H3,(H2,26,27,28)",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00479,"1-(6Z,9Z,12Z-Octadecatrienoyl)-Glycero-3-Phosphate",C21H35O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,KWFUSJZUJLGPTO-RNCOHGIQSA-N,"InChI=1S/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,12-13,20,22H,2-5,8,11,14-19H2,1H3,(H2,24,25,26)/b7-6+,10-9+,13-12-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00480,"1-Heneicosanoyl-Glycero-3-Phosphate",C24H47O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SPXKINNONQHLLM-UHFFFAOYSA-N,"InChI=1S/C24H49O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)30-21-23(25)22-31-32(27,28)29/h23,25H,2-22H2,1H3,(H2,27,28,29)",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00481,"1-Heptadecanoyl-Glycero-3-Phosphate",C20H39O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,AXKVUJMUBAXXKG-UHFFFAOYSA-N,"InChI=1S/C20H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)26-17-19(21)18-27-28(23,24)25/h19,21H,2-18H2,1H3,(H2,23,24,25)",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00482,"1-Acylglycerol-3P-Hexacosa",C29H57O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YKXJHSJFWNLVGK-NDEPHWFRSA-N,"InChI=1S/C29H59O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(31)35-26-28(30)27-36-37(32,33)34/h28,30H,2-27H2,1H3,(H2,32,33,34)/t28-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00483,"1-Acylglycerol-3P-Hexecose",C29H55O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00484,"1-Dodecanoyl-Glycero-3-Phosphate",C15H29O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,STTKJLVEXMKLNA-UHFFFAOYSA-N,"InChI=1S/C15H31O7P/c1-2-3-4-5-6-7-8-9-10-11-15(17)21-12-14(16)13-22-23(18,19)20/h14,16H,2-13H2,1H3,(H2,18,19,20)",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00492,"1-(9Z,12Z,15Z-Octadecatrienoyl)-Glycero-3-Phosphate",C21H35O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DVNZKWQUAXJYGB-PDBXOOCHSA-N,"InChI=1S/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,20,22H,2,5,8,11-19H2,1H3,(H2,24,25,26)/b4-3-,7-6-,10-9-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00493,"1-Tetradecanoyl-Sn-Glycero-3-Phosphate",C17H33O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,FAZBDRGXCKPVJU-INIZCTEOSA-N,"InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m0/s1",[H]O[C@@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00494,"1-Nonadecanoyl-Glycero-3-Phosphate",C22H43O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YAERNOYIELLICR-UHFFFAOYSA-N,"InChI=1S/C22H45O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)28-19-21(23)20-29-30(25,26)27/h21,23H,2-20H2,1H3,(H2,25,26,27)",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00498,"1-Pentadecanoyl-Glycero-3-Phosphate",C18H35O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,RZDCKQARKXMIQI-UHFFFAOYSA-N,"InChI=1S/C18H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(20)24-15-17(19)16-25-26(21,22)23/h17,19H,2-16H2,1H3,(H2,21,22,23)",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00500,"1-Acylglycerol-3P-Tetraco",C27H53O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NNKULLNAFVPJMY-SANMLTNESA-N,"InChI=1S/C27H55O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)33-24-26(28)25-34-35(30,31)32/h26,28H,2-25H2,1H3,(H2,30,31,32)/t26-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00501,"1-Acylglycerol-3P-Trico",C26H51O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YBSIJNWTTYEIND-VWLOTQADSA-N,"InChI=1S/C26H53O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(28)32-23-25(27)24-33-34(29,30)31/h25,27H,2-24H2,1H3,(H2,29,30,31)/t25-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00502,"1-Tridecanoyl-Sn-Glycero-3-Phosphate (Ammonium Salt)",C16H31O7P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XUCWFZYFDPBQGZ-HNNXBMFYSA-N,"InChI=1S/C16H33O7P/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)22-13-15(17)14-23-24(19,20)21/h15,17H,2-14H2,1H3,(H2,19,20,21)/t15-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00503,"Monoacylglycerol-Chylomicron-Pool",C4H7O4R,0,0,0,C01885,NaN,17408,,"",,M00503,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(O[H])C([H])([H])OC([*])=O
M00510,"1-Acylglycerol-VLDL-Pool",C4H7O4R,0,0,0,C01885,NaN,17408,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(O[H])C([H])([H])OC([*])=O
M00511,"1-Acyl-Sn-Glycero-3-Phosphoethanolamine",C6H12NO7PR,-1,0,0,C04438,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@]([H])(C([H])([H])OC([*])=O)C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
M00512,"1-Alkenyl-2-Acylglycerol",C6H8O4R2,0,0,0,C03454,NaN,NaN,,"",,,,NaN,"",,"",,cpd12322,,,NaN,,,,"",[H]OC([H])([H])C([H])(OC([*])=O)C([H])([H])O\C([H])=C(\[H])[*]
M00532,"1-Hexadecyl-Glycero-3-Phosphate",C19H39O6P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XLVRFPVHQPHXAA-IBGZPJMESA-N,"InChI=1S/C19H41O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h19-20H,2-18H2,1H3,(H2,21,22,23)/t19-/m0/s1",[H]O[C@]([H])(C([H])([H])OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M00535,"2-Acyl-Sn-Glycero-3-Phosphocholine",C9H20NO7PR,0,0,0,C04233,NaN,71980,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(OC([*])=O)C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M00538,"1-Naphthol",C10H8O,0,144.1699,144.0575149,C11714,7005,10319,HMDB0012138,"",,,FDB005841,6739,"",,"1-naphthol",,,,,NaN,90-15-3,DTXSID6021793,KJCVRFUGPWSIIH-UHFFFAOYSA-N,"InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H",[H]OC1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12
M00539,"1-Naphthylamine",C10H9N,0,143.1889954,143.0734993,C14790,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,134-32-7,DTXSID7020920,RUFPHBVGCFYCNW-UHFFFAOYSA-N,"InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2",[H]N([H])C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12
M00540,"1-Nitro-5,6-Dihydroxy-Dihydronaphthalene",C10H9NO4,0,0,0,C14801,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VNMNNCGXMBPWIX-UHFFFAOYSA-N,"InChI=1S/C10H9NO4/c12-9-5-4-6-7(10(9)13)2-1-3-8(6)11(14)15/h1-5,9-10,12-13H",[H]OC1([H])C([H])=C([H])C2=C(C([H])=C([H])C([H])=C2[N+]([O-])=O)C1([H])O[H]
M00541,"1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene",C20H24N4O9S,0,496.491,496.1263991,C14806,11954057,NaN,HMDB0060326,"",,,,10128352,"",,"",,,,,NaN,,,ASZHPHJDCUIIBF-RJXQQRCHSA-N,"InChI=1S/C20H24N4O9S/c21-12(20(30)31)5-7-16(26)23-13(19(29)22-8-17(27)28)9-34-18-11-2-1-3-14(24(32)33)10(11)4-6-15(18)25/h1-4,6,12-13,15,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t12-,13-,15?,18?/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC1([H])C2=C(C([H])=C([H])C1([H])O[H])C(=C([H])C([H])=C2[H])[N+]([O-])=O
M00542,"1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene",C20H24N4O9S,0,496.491,496.1263991,C14805,11954056,NaN,HMDB0060327,"",,,,10128351,"",,"",,,,,NaN,,,SFJZEQDXMXSLGC-RJXQQRCHSA-N,"InChI=1S/C20H24N4O9S/c21-12(20(30)31)5-7-16(25)23-13(19(29)22-8-17(26)27)9-34-15-6-4-10-11(18(15)28)2-1-3-14(10)24(32)33/h1-4,6,12-13,15,18,28H,5,7-9,21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)/t12-,13-,15?,18?/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC1([H])C([H])=C([H])C2=C(C([H])=C([H])C([H])=C2[N+]([O-])=O)C1([H])O[H]
M00543,"1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthalene",C20H24N4O9S,0,496.491,496.1263991,C14804,11954055,NaN,HMDB0060329,"",,,,10128350,"",,"",,,,,NaN,,,FCTXJUPCCZHZHU-WXFCVCCESA-N,"InChI=1S/C20H24N4O9S/c21-11(20(30)31)5-7-15(25)23-12(19(29)22-8-16(26)27)9-34-14-6-4-10-2-1-3-13(24(32)33)17(10)18(14)28/h1-4,6,11-12,14,18,28H,5,7-9,21H2,(H,22,29)(H,23,25)(H,26,27)(H,30,31)/t11-,12-,14?,18?/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC1([H])C([H])=C([H])C2=C(C(=C([H])C([H])=C2[H])[N+]([O-])=O)C1([H])O[H]
M00544,"1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene",C20H24N4O9S,0,496.491,496.1263991,C14803,11954054,NaN,HMDB0060330,"",,,,10128349,"",,"",,,,,NaN,,,RQCSOWVLCHNLLC-WXFCVCCESA-N,"InChI=1S/C20H24N4O9S/c21-11(20(30)31)5-7-15(26)23-12(19(29)22-8-16(27)28)9-34-18-14(25)6-4-10-2-1-3-13(17(10)18)24(32)33/h1-4,6,11-12,14,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t11-,12-,14?,18?/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC1([H])C2=C(C([H])=C([H])C([H])=C2[N+]([O-])=O)C([H])=C([H])C1([H])O[H]
M00545,"1-nitronaphthalene",C10H6NO2,-1,173.1681,173.0476785,C14040,6849,34104,HMDB0062188,"",,,,NaN,"",,"",,,,,NaN,86-57-7,DTXSID7020978,RJKGJBPXVHTNJL-UHFFFAOYSA-N,"InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H",[H]C1=C([H])C2=C([H])C([H])=C([H])C(=C2C([H])=C1[H])[N+]([O-])=O
M00546,"1-Nitronaphthalene-5,6-Oxide",C10H7NO3,0,0,0,C14800,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GSAMVXYBVGOJMK-UHFFFAOYSA-N,"InChI=1S/C10H7NO3/c12-11(13)8-3-1-2-7-6(8)4-5-9-10(7)14-9/h1-5,9-10H",[H]C1=C([H])C2=C(C([H])=C([H])C3([H])OC23[H])C(=C1[H])[N+]([O-])=O
M00547,"1-Nitronaphthalene-7,8-Oxide",C10H7NO3,0,0,0,C14802,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JBECFHRNFSQXPM-UHFFFAOYSA-N,"InChI=1S/C10H7NO3/c12-11(13)7-3-1-2-6-4-5-8-10(14-8)9(6)7/h1-5,8,10H",[H]C1=C([H])C2=C(C(=C1[H])[N+]([O-])=O)C1([H])OC1([H])C([H])=C2[H]
M00548,"1-nitrosonaphthalene",C10H7NO,0,157.172,157.0527638,C14788,30767,NaN,HMDB0062189,"",,,,NaN,"",,"",,,,,NaN,21711-65-9,DTXSID50176103,HXOPMUIUKYURIC-UHFFFAOYSA-N,"InChI=1S/C10H7NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H",[H]C1=C([H])C([H])=C2C(N=O)=C([H])C([H])=C([H])C2=C1[H]
M00550,"1-palmitoyl-dihydroxyacetone-phosphate",C19H35O7P,-2,408.4666,408.2276901,C01192,167650,17868,HMDB0062190,"",,,,NaN,"",,"",,,,,NaN,17378-38-0,DTXSID30169654,MLWXSIMRTQAWHY-UHFFFAOYSA-N,"InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h2-17H2,1H3,(H2,22,23,24)",[H]OP(=O)(O[H])OC([H])([H])C(=O)C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00561,"2-(a-Hydroxyethyl)thiamine diphosphate",C14H20N4O8P2S,-3,469.367,469.0711824,C05125,440568,978,HMDB0003904,"",,,FDB023246,389468,"",,"",,,,,NaN,10055-47-7,,RRUVJGASJONMDY-UHFFFAOYSA-O,"InChI=1S/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,19H,4-5,7H2,1-3H3,(H4-,15,16,17,20,21,22,23,24)/p+1",[H]OC([H])(C1=[N+](C(=C(S1)C([H])([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[H])C([H])([H])[H])C([H])([H])C1=C(N=C(N=C1[H])C([H])([H])[H])N([H])[H])C([H])([H])[H]
M00565,"2-(S-Glutathionyl)acetyl chloride",C12H17ClN3O7S,-1,383.805,383.0553983,C14865,11954073,NaN,HMDB0060342,"",,,,10128368,"",,"",,,,,NaN,,,QUWRSBQWJGCKIV-BQBZGAKWSA-N,"InChI=1S/C12H18ClN3O7S/c13-8(17)5-24-4-7(11(21)15-3-10(19)20)16-9(18)2-1-6(14)12(22)23/h6-7H,1-5,14H2,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7-/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC([H])([H])C(Cl)=O
M00566,"2-(S-Glutathionyl)acetyl glutathione",C22H32N6O13S2,-2,654.668,654.1625266,C14863,11954072,NaN,HMDB0060343,"",,,,10128367,"",,"",,,,,NaN,,,QEJUVDVAWJBQIG-CYDGBPFRSA-N,"InChI=1S/C22H34N6O13S2/c23-10(21(38)39)1-3-14(29)27-12(19(36)25-5-16(31)32)7-42-9-18(35)43-8-13(20(37)26-6-17(33)34)28-15(30)4-2-11(24)22(40)41/h10-13H,1-9,23-24H2,(H,25,36)(H,26,37)(H,27,29)(H,28,30)(H,31,32)(H,33,34)(H,38,39)(H,40,41)/t10-,11-,12-,13-/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC(=O)C([H])([H])SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C(=O)N([H])C([H])([H])C(=O)O[H]
M00567,"2,2-dichloro-1,1-ethanediol",C2H4Cl2O2,0,130.95,129.9588348,C14860,85275,34213,HMDB0062193,"",,,,NaN,"",,"",,,,,NaN,16086-14-9,,RUUBIFVWPACNLY-UHFFFAOYSA-N,"InChI=1S/C2H4Cl2O2/c3-1(4)2(5)6/h1-2,5-6H",[H]OC([H])(O[H])C([H])(Cl)Cl
M00568,"2,2-Dichloroacetaldehyde",C2H2Cl2O,0,112.943,111.9482701,,NaN,NaN,HMDB0060357,"",,,,NaN,"",,"",,,,,NaN,,DTXSID3021560,NWQWQKUXRJYXFH-UHFFFAOYSA-N,"InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H",[H]C(=O)C([H])(Cl)Cl
M00571,"2,3-Dihydro-2-S-glutathionyl-3-hydroxy bromobenzene",C16H22BrN3O7S,0,480.331,479.0361834,C14848,11954067,NaN,HMDB0060358,"",,,,10128362,"",,"",,,,,NaN,,,BYHFLDCNLZPMDY-PXAOEZFJSA-N,"InChI=1S/C16H22BrN3O7S/c17-8-2-1-3-11(21)14(8)28-7-10(15(25)19-6-13(23)24)20-12(22)5-4-9(18)16(26)27/h1-3,9-11,14,21H,4-7,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t9-,10-,11?,14?/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC1([H])C(Br)=C([H])C([H])=C([H])C1([H])O[H]
M00579,"20a,22b-Dihydroxycholesterol",C27H46O3,0,418.6523,418.3446953,C05501,53477897,1294,HMDB0006763,"",,M00579,FDB024066,NaN,"",,"",,,,,NaN,15234-55-6,,ISBSSBGEYIBVTO-SSFXUMSLSA-N,"InChI=1S/C27H46O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t19-,20?,21?,22?,23?,24+,25-,26-,27+/m0/s1",[H]O[C@]([H])(C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@](O[H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])C([H])([H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
M00603,"21-Deoxycortisol",C21H30O4,0,346.4605,346.2144094,C05497,222803,NaN,HMDB0004030,"",,M00603,FDB023283,193458,"",,"",,,,,7004,641-77-0,,LCZBQMKVFQNSJR-AWYSGOOKSA-N,"InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15?,16?,17-,18?,19-,20-,21-/m0/s1",[H]O[C@@]1([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])[C@]2(O[H])C(=O)C([H])([H])[H])C2([H])C([H])([H])C([H])([H])C3=C([H])C(=O)C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C12[H]
M00605,"21-Hydroxypregnenolone",C21H32O3,0,332.477,332.2351449,C05485,247020,28043,HMDB0004026,"",,M00605,FDB023281,216208,"",,"Prebediolone",,,,,7002,1164-98-3,,MOIQRAOBRXUWGN-ANWDBCJUSA-N,"InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h3,14-18,22-23H,4-12H2,1-2H3/t14-,15?,16?,17?,18+,20-,21-/m0/s1",[H]OC([H])([H])C(=O)[C@@]1([H])C([H])([H])C([H])([H])C2([H])C3([H])C([H])([H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
M00606,"22b-Hydroxycholesterol",C27H46O2,0,402.6529,402.3497807,C05502,167685,385115,HMDB0004035,"",,M00606,FDB023285,146693,"CPD-14702",,"",,,,,7006,22348-64-7,,RZPAXNJLEKLXNO-RDONLKSSSA-N,"InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21?,22?,23?,24?,25-,26-,27+/m0/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])C([H])([H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
M00615,"25(R)Tetrahca Coenzyme A",C48H76N7O21P3S,-4,0,0,,NaN,NaN,,"",,M00615,,NaN,"",,"",,,,,NaN,,,PXHZOQNODUPJKC-DPSJMXRESA-N,"InChI=1S/C48H80N7O21P3S/c1-24(28-8-9-29-36-30(19-34(59)48(28,29)6)47(5)13-11-27(56)17-26(47)18-32(36)58)7-10-31(57)25(2)45(64)80-16-15-50-35(60)12-14-51-43(63)40(62)46(3,4)21-73-79(70,71)76-78(68,69)72-20-33-39(75-77(65,66)67)38(61)44(74-33)55-23-54-37-41(49)52-22-53-42(37)55/h22-34,36,38-40,44,56-59,61-62H,7-21H2,1-6H3,(H,50,60)(H,51,63)(H,68,69)(H,70,71)(H2,49,52,53)(H2,65,66,67)/t24-,25?,26?,27-,28?,29?,30?,31?,32-,33-,34+,36?,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])(O[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00617,"(25S)-3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA",C48H76N7O19P3S,-4,1184.171,1183.444254,C17346,50986117,NaN,HMDB0060306,"",,,,NaN,"",,"",,,,,NaN,,,SBYLHTNKEWSLBA-WKKPLVHGSA-N,"InChI=1S/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h24-34,36,38-40,44,56-57,59-60H,7-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t26-,27+,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00625,"27-Hydroxycholesterol",C27H46O2,0,0,0,,NaN,NaN,,"",,M00625,,NaN,"",,"",,,,,NaN,,,FYHRJWMENCALJY-YVZNNCSMSA-N,"InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18?,19?,21-,22?,23?,24?,25?,26-,27+/m0/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])C([H])([H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
M00627,"PA(P-16:0e/18:2(9Z,12Z))",C6H9O7PR2,0,656.9133,656.4780911,C15647,52929743,NaN,HMDB0011155,"",,,FDB027930,24766521,"",,"",,,,,NaN,,,OLCTYLMZTXKGKH-BBNWHMLASA-N,"",[H]OP(=O)(O[H])OC([H])([H])C([H])(OC([*])=O)C([H])([H])O\C([H])=C(\[H])[*]
M00636,"2-Bromoacetaldehyde",C2H3BrO,0,122.949,121.9367274,,NaN,NaN,HMDB0060344,"",,,,NaN,"",,"",,,,,NaN,,DTXSID1020196,NMPVEAUIHMEAQP-UHFFFAOYSA-N,"InChI=1S/C2H3BrO/c3-1-2-4/h2H,1H2",[H]C(=O)C([H])([H])Br
M00637,"2-Bromophenol",C6H5BrO,0,173.007,171.9523774,C14841,7244,NaN,HMDB0032059,"",,,FDB008766,6974,"",,"",,,,C00036481,NaN,95-56-7,DTXSID8052641,VADKRMSMGWJZCF-UHFFFAOYSA-N,"InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H",[H]OC1=C(Br)C([H])=C([H])C([H])=C1[H]
M00643,"2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid",C9H7O4,-1,180.1574,180.0422587,C05350,636708,27683,HMDB0006915,"",,,FDB024152,552441,"",,"",,,,,NaN,,,GQYBCIHRWMPOOF-YVMONPNESA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5-",[H]OC(=O)C(\O[H])=C(/[H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
M00646,"Tartronate semialdehyde",C3H3O4,-1,104.0615,104.0109586,C01146,1122,16992,HMDB0006938,"",,,FDB024155,1090,"",,"",,,,,NaN,,,QWBAFPFNGRFSFB-UHFFFAOYSA-N,"InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7)",[H]OC(=O)C([H])(O[H])C([H])=O
M00647,"Enol-phenylpyruvate",C9H7O3,-1,164.158,164.0473441,C02763,641637,16815,HMDB0012225,"",,,FDB028869,556910,"ENOL-PHENYLPYRUVATE",,"",,,,,NaN,5801-57-0,,DEDGUGJNLNLJSR-VURMDHGXSA-N,"InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6-",[H]OC(=O)C(\O[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
M00653,"2-Hydroxyglutarate",C5H6O5,-2,148.114,148.0371734,C02630,43,17084,HMDB0059655,"",,,,42,"",,"Alpha-Hydroxyglutaric_acid",,,,C00050428,NaN,2889-31-8,,HWXBTNAVRSUOJR-UHFFFAOYSA-N,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)",[H]OC(=O)C([H])([H])C([H])([H])C([H])(O[H])C(=O)O[H]
M00658,"2-methoxy-6-all trans-decaprenyl-2-methoxy-1,4-benzoquinol",C57H90O3,0,821.328,820.6733467,,50986248,64180,HMDB0062197,"",,M00658,,NaN,"",,"",,,,,NaN,,,LIOKNOIJMJKVCG-RDSVHMIISA-N,"InChI=1S/C57H88O3/c1-44(2)22-13-23-45(3)24-14-25-46(4)26-15-27-47(5)28-16-29-48(6)30-17-31-49(7)32-18-33-50(8)34-19-35-51(9)36-20-37-52(10)38-21-39-53(11)40-41-54-42-55(58)43-56(60-12)57(54)59/h22,24,26,28,30,32,34,36,38,40,42-43,58-59H,13-21,23,25,27,29,31,33,35,37,39,41H2,1-12H3/b45-24+,46-26+,47-28+,48-30+,49-32+,50-34+,51-36+,52-38+,53-40+",[H]OC1=C([H])C(OC([H])([H])[H])=C(O[H])C(=C1[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
M00668,"2-Naphthol",C10H8O,0,144.1699,144.0575149,C11713,8663,10432,HMDB0012322,"",,,FDB000877,8341,"CPD-8131",,"2-naphthol",,,,,NaN,135-19-3,DTXSID5027061,JWAZRIHNYRIHIV-UHFFFAOYSA-N,"InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H",[H]OC1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H]
M00673,"2-Phenylacetamide",C8H9NO,0,135.1632,135.0684139,C02505,7680,16562,HMDB0010715,"",,M00673,FDB027865,7397,"",,"",,,,,NaN,103-81-1,DTXSID1059282,LSBDFXRDZJMBSC-UHFFFAOYSA-N,"InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)",[H]N([H])C(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
M00676,"2-S-glutathionyl acetate",C12H18N3O8S,-1,365.36,365.0892858,C14862,11954071,34302,HMDB0062198,"",,,,NaN,"",,"",,,,,NaN,10463-61-3,,WBINJBFJLWYSJZ-BQBZGAKWSA-M,"InChI=1S/C12H19N3O8S/c13-6(12(22)23)1-2-8(16)15-7(4-24-5-10(19)20)11(21)14-3-9(17)18/h6-7H,1-5,13H2,(H,14,21)(H,15,16)(H,17,18)(H,19,20)(H,22,23)/p-1/t6-,7-/m0/s1",[H]OC(=O)C([H])([H])SC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C(=O)N([H])C([H])([H])C(=O)O[H]
M00677,"2-trans,6-trans-Farnesal",C15H24O,0,220.356,220.1827154,,NaN,15894,HMDB0060356,"",,,,NaN,"2-TRANS6-TRANS-FARNESAL",,"",,,,,NaN,,DTXSID80862062,YHRUHBBTQZKMEX-YFVJMOTDSA-N,"InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+",[H]C(=O)C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
M00683,"3-(Acyloxy)Acyl-Group-Of-Bacterial-Toxin",C54H89N2O25P2R7,0,0,0,C11547,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])(C([H])([H])C(=O)O[C@@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@]([H])(OP([O-])(=O)O[H])[C@]1([H])N([H])C(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[*])C([H])([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[*])[C@@]([H])(OP([O-])(=O)O[H])[C@]([H])(OC(=O)C([H])([H])C([H])(OC([*])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[*])[C@@]1([H])N([H])C(=O)C([H])([H])C([H])(OC([*])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[*])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[*]
M00684,"3-Methylthiopropionic acid",C4H7O2S,-1,120.17,120.0245002,C08276,563,1438,HMDB0001527,"",,,FDB022672,547,"CPD-86",,"",,,,C00001194,6300,646-01-5,DTXSID00881270,CAOMCZAIALVUPA-UHFFFAOYSA-N,"InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)",[H]OC(=O)C([H])([H])C([H])([H])SC([H])([H])[H]
M00699,"3(S)-Hydroxy-11Cis-Docosenoyl Coenzyme A",C43H72N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00699,,NaN,"",,"",,,,,NaN,,,NJXWHMZZUSHYFR-IPMOPUFESA-J,"InChI=1S/C43H76N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h13-14,29-32,36-38,42,51,54-55H,4-12,15-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b14-13-/t31-,32+,36+,37+,38-,42+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00702,"3(S)-Hydroxy-13-Cis-Eicosenoyl Coenzyme A",C41H68N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00702,,NaN,"",,"",,,,,NaN,,,MNTYKYKLBOOZFS-LRZFLKDSSA-J,"InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h9-10,27-30,34-36,40,49,52-53H,4-8,11-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b10-9-/t29-,30+,34+,35+,36-,40+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00704,"3(S)-Hydroxy-3-Oxo-Eicosadienoyl Coenzyme A",C41H66N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00704,,NaN,"",,"",,,,,NaN,,,,"",
M00707,"3(S)-Hydroxy-9-Cis-Eicosenoyl Coenzyme A",C41H68N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00707,,NaN,"",,"",,,,,NaN,,,BPKNFERTVIOIGY-CMRTUOMRSA-J,"InChI=1S/C41H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h13-14,27-30,34-36,40,49,52-53H,4-12,15-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b14-13-/t29-,30+,34+,35+,36-,40+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00712,"3(S)-Hydroxy-Docosa-13,16,19-All-Cis-Trienoyl Coenzyme A",C43H68N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00712,,NaN,"",,"",,,,,NaN,,,OMYYPDBAWCREJL-BZFCONMTSA-J,"InChI=1S/C43H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,29-32,36-38,42,51,54-55H,4,7,10,13-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b6-5-,9-8-,12-11-/t31-,32+,36+,37+,38-,42+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00715,"3(S)-Hydroxy-Hexacosenoyl Coenzyme A",C47H80N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00715,,NaN,"",,"",,,,,NaN,,,WAMXYKIMRKFSFS-YFIWGTITSA-N,"InChI=1S/C47H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h30,33-34,36,40-42,46,55,58-59H,4-29,31-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/b35-30-/t36-,40-,41-,42+,46-/m1/s1",[H]O\C(=C(\[H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M00724,"3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene",C16H22BrN3O7S,0,480.331,479.0361834,C14847,11954066,NaN,HMDB0060381,"",,,,10128361,"",,"",,,,,NaN,,,WIPMNDWTVDZAHE-JYBOHDQNSA-N,"InChI=1S/C16H22BrN3O7S/c17-8-1-3-12(11(21)5-8)28-7-10(15(25)19-6-14(23)24)20-13(22)4-2-9(18)16(26)27/h1,3,5,9-12,21H,2,4,6-7,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t9-,10-,11?,12?/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC1([H])C([H])=C([H])C(Br)=C([H])C1([H])O[H]
M00742,"3,7,24THCA",C27H45O5,-1,0,0,,NaN,NaN,,"",,M00742,,NaN,"",,"",,,,,NaN,,,MCJRHGYHESPEGM-PJFLYYFFSA-M,"InChI=1S/C28H48O5/c1-16(2)22(30)9-6-17(3)19-7-8-20-24-21(11-12-26(19,20)4)27(5)13-10-18(29)14-28(27,25(32)33)15-23(24)31/h16-24,29-31H,6-15H2,1-5H3,(H,32,33)/p-1/t17-,18-,19-,20+,21+,22+,23-,24+,26-,27-,28?/m1/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])C4(C([O-])=O)C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
M00743,"3,7,24Thca Coenzyme A",C48H76N7O20P3S,-4,0,0,,NaN,NaN,,"",,M00743,,NaN,"",,"",,,,,NaN,,,SZBMUAIJWNJARR-GEERDDCJSA-N,"InChI=1S/C48H80N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26?,27?,28-,29?,30?,31?,32?,33-,34-,36?,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])(O[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00746,"3Alpha,7Alpha,12Alpha,24-Tetrahydroxy-5Beta-Cholestan-26-Al",C27H46O5,0,0,0,,NaN,NaN,,"",,M00746,,NaN,"",,"",,,,,NaN,,,MZWYIFQIBJLCBI-USUYNRBQSA-N,"InChI=1S/C27H46O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h14-25,29-32H,5-13H2,1-4H3/t15-,16?,17?,18-,19?,20?,21?,22?,23-,24+,25?,26+,27-/m0/s1",[H]OC([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C([H])(C([H])=O)C([H])([H])[H]
M00753,"3Alpha,7Alpha,24-Trihydroxy-5Beta-Cholestan-26-Al",C27H46O4,0,0,0,,NaN,NaN,,"",,M00753,,NaN,"",,"",,,,,NaN,,,GDUNLMLXJUYQIN-MWDRPLOESA-N,"InChI=1S/C27H46O4/c1-16(5-8-23(30)17(2)15-28)20-6-7-21-25-22(10-12-27(20,21)4)26(3)11-9-19(29)13-18(26)14-24(25)31/h15-25,29-31H,5-14H2,1-4H3/t16-,17?,18?,19-,20?,21?,22?,23?,24-,25?,26+,27-/m0/s1",[H]OC([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C([H])(C([H])=O)C([H])([H])[H]
M00754,"3a,7a-Dihydroxy-5b-24-oxocholestanoyl-CoA",C48H74N7O20P3S,-4,1198.154,1197.423518,C05449,440676,28533,HMDB0006896,"",,,FDB024143,389555,"",,"",,,,,NaN,,,QWTJBRPOHKIMDT-MVFHLHSISA-N,"InChI=1S/C48H78N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-31,33-34,36,38-40,44,56,58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26?,27+,28-,29-,30+,31+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00759,"Allopregnanolone",C21H34O2,0,318.4935,318.2558803,C13712,92786,50169,HMDB0001449,"",,,FDB022630,83760,"",,"Allopregnanolone",,,,,NaN,516-54-1,,AURFZBICLPNKBZ-FOONYZIMSA-N,"InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14?,15-,16?,17-,18?,19?,20+,21-/m0/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])[C@]([H])(C(=O)C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C23[H])C1([H])[H]
M00770,"3-demethylubiquinol-10",C58H92O4,0,851.354,850.6839114,,56927876,64182,HMDB0062350,"",,M00770,,NaN,"CPD-9873",,"",,,,,NaN,,,VLMQNHNMQVLPQI-AVRCVIBKSA-N,"InChI=1S/C58H90O4/c1-43(2)23-14-24-44(3)25-15-26-45(4)27-16-28-46(5)29-17-30-47(6)31-18-32-48(7)33-19-34-49(8)35-20-36-50(9)37-21-38-51(10)39-22-40-52(11)41-42-54-53(12)55(59)57(61)58(62-13)56(54)60/h23,25,27,29,31,33,35,37,39,41,59-61H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b44-25+,45-27+,46-29+,47-31+,48-33+,49-35+,50-37+,51-39+,52-41+",[H]OC1=C(OC([H])([H])[H])C(O[H])=C(C(=C1O[H])C([H])([H])[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
M00774,"3-Hydroxyacyl-Group-Of-Bacterial-Toxin",C52H91N2O23P2R5,0,0,0,C11548,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])(C([H])([H])C(=O)O[C@@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@]([H])(OP([O-])(=O)O[H])[C@]1([H])N([H])C(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[*])C([H])([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[*])[C@@]([H])(OP([O-])(=O)O[H])[C@]([H])(OC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[*])[C@@]1([H])N([H])C(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[*])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[*]
M00778,"3-Hydroxyheneicosanoyl Coenzyme A",C42H72N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00778,,NaN,"",,"",,,,,NaN,,,LBHWAYLZAXAPNP-YQXLYXDMSA-N,"InChI=1S/C42H76N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(50)25-33(52)71-24-23-44-32(51)21-22-45-40(55)37(54)42(2,3)27-64-70(61,62)67-69(59,60)63-26-31-36(66-68(56,57)58)35(53)41(65-31)49-29-48-34-38(43)46-28-47-39(34)49/h28-31,35-37,41,50,53-54H,4-27H2,1-3H3,(H,44,51)(H,45,55)(H,59,60)(H,61,62)(H2,43,46,47)(H2,56,57,58)/t30?,31-,35-,36-,37+,41-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00779,"3-Hydroxyheptadecanoyl-ACP",C17H33O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00780,"3-Hydroxyheptadecanoyl Coenzyme A",C38H64N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00780,,NaN,"",,"",,,,,NaN,,,WSVGZMBRZBPVEM-JKWRZQDASA-J,"InChI=1S/C38H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-26(46)21-29(48)67-20-19-40-28(47)17-18-41-36(51)33(50)38(2,3)23-60-66(57,58)63-65(55,56)59-22-27-32(62-64(52,53)54)31(49)37(61-27)45-25-44-30-34(39)42-24-43-35(30)45/h24-27,31-33,37,46,49-50H,4-23H2,1-3H3,(H,40,47)(H,41,51)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/p-4/t26?,27-,31-,32-,33+,37-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00781,"3-Hydroxyheptanoyl-ACP",C7H13O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00782,"3-Hydroxyheptanoyl Coenzyme A",C28H44N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00782,,NaN,"",,"",,,,,NaN,,,VISQBWUSDZWVMM-FPVIQYCMSA-J,"InChI=1S/C28H48N7O18P3S/c1-4-5-6-16(36)11-19(38)57-10-9-30-18(37)7-8-31-26(41)23(40)28(2,3)13-50-56(47,48)53-55(45,46)49-12-17-22(52-54(42,43)44)21(39)27(51-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,36,39-40H,4-13H2,1-3H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t16?,17-,21-,22-,23+,27-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00783,"3-Hydroxyhexacosanoyl Coenzyme A",C47H82N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00783,,NaN,"",,"",,,,,NaN,,,GBMJOTOUUWGTIA-HSPCTEKSSA-N,"InChI=1S/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/t35?,36-,40-,41-,42+,46-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00790,"3-Hydroxynonadecanoyl Coenzyme A",C40H68N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00790,,NaN,"",,"",,,,,NaN,,,KNWRTKVRQHXUCH-FQUAXEBYSA-N,"InChI=1S/C40H72N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(48)23-31(50)69-22-21-42-30(49)19-20-43-38(53)35(52)40(2,3)25-62-68(59,60)65-67(57,58)61-24-29-34(64-66(54,55)56)33(51)39(63-29)47-27-46-32-36(41)44-26-45-37(32)47/h26-29,33-35,39,48,51-52H,4-25H2,1-3H3,(H,42,49)(H,43,53)(H,57,58)(H,59,60)(H2,41,44,45)(H2,54,55,56)/t28?,29-,33-,34-,35+,39-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00791,"3-Hydroxynonanoyl-ACP",C9H17O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00792,"3-Hydroxynonanoyl Coenzyme A",C30H48N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00792,,NaN,"",,"",,,,,NaN,,,PDYUUZANEPCZPL-NVQRUNIKSA-J,"InChI=1S/C30H52N7O18P3S/c1-4-5-6-7-8-18(38)13-21(40)59-12-11-32-20(39)9-10-33-28(43)25(42)30(2,3)15-52-58(49,50)55-57(47,48)51-14-19-24(54-56(44,45)46)23(41)29(53-19)37-17-36-22-26(31)34-16-35-27(22)37/h16-19,23-25,29,38,41-42H,4-15H2,1-3H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/t18?,19-,23-,24-,25+,29-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00794,"3-Hydroxypentadecanoyl-ACP",C15H29O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00795,"3-Hydroxypentadecanoyl Coenzyme A",C36H60N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00795,,NaN,"",,"",,,,,NaN,,,QAAKZCOMMVOBIA-ZJHONPRDSA-J,"InChI=1S/C36H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-24(44)19-27(46)65-18-17-38-26(45)15-16-39-34(49)31(48)36(2,3)21-58-64(55,56)61-63(53,54)57-20-25-30(60-62(50,51)52)29(47)35(59-25)43-23-42-28-32(37)40-22-41-33(28)43/h22-25,29-31,35,44,47-48H,4-21H2,1-3H3,(H,38,45)(H,39,49)(H,53,54)(H,55,56)(H2,37,40,41)(H2,50,51,52)/p-4/t24?,25-,29-,30-,31+,35-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00796,"3-Hydroxypentanoyl-ACP",C5H9O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00797,"3-Hydroxypentanoyl Coenzyme A",C26H40N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00797,,NaN,"",,"",,,,,NaN,,,YYGYPCRWZMLSGK-XMWLYHNJSA-J,"InChI=1S/C26H44N7O18P3S/c1-4-14(34)9-17(36)55-8-7-28-16(35)5-6-29-24(39)21(38)26(2,3)11-48-54(45,46)51-53(43,44)47-10-15-20(50-52(40,41)42)19(37)25(49-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,34,37-38H,4-11H2,1-3H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t14?,15-,19-,20-,21+,25-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00802,"3-Hydroxytricosanoyl Coenzyme A",C44H76N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00802,,NaN,"",,"",,,,,NaN,,,,"",
M00803,"3-Hydroxytridecanoyl-ACP",C13H25O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00804,"3-Hydroxytridecanoyl Coenzyme A",C34H56N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00804,,NaN,"",,"",,,,,NaN,,,DGCKWHYVMOUMCS-UZDIFWIKSA-J,"InChI=1S/C34H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-22(42)17-25(44)63-16-15-36-24(43)13-14-37-32(47)29(46)34(2,3)19-56-62(53,54)59-61(51,52)55-18-23-28(58-60(48,49)50)27(45)33(57-23)41-21-40-26-30(35)38-20-39-31(26)41/h20-23,27-29,33,42,45-46H,4-19H2,1-3H3,(H,36,43)(H,37,47)(H,51,52)(H,53,54)(H2,35,38,39)(H2,48,49,50)/p-4/t22?,23-,27-,28-,29+,33-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00805,"3-Hydroxyundecanoyl-ACP",C11H21O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00806,"3-Hydroxyundecanoyl Coenzyme A",C32H52N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00806,,NaN,"",,"",,,,,NaN,,,JIOGXINZSOQEGE-ANHZDMDASA-J,"InChI=1S/C32H56N7O18P3S/c1-4-5-6-7-8-9-10-20(40)15-23(42)61-14-13-34-22(41)11-12-35-30(45)27(44)32(2,3)17-54-60(51,52)57-59(49,50)53-16-21-26(56-58(46,47)48)25(43)31(55-21)39-19-38-24-28(33)36-18-37-29(24)39/h18-21,25-27,31,40,43-44H,4-17H2,1-3H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/p-4/t20?,21-,25-,26-,27+,31-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00808,"IV3-a-Neu5Ac-Lc4Cer ((Gal)2 (Glc)1 (GlcNAc)1 (Neu5Ac)1 (Cer)1)",X,0,0,0,G00047,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00819,"Vanylglycol",C9H12O4,0,184.1892,184.0735589,C05594,10805,846276,HMDB0001490,"",,,FDB022651,10348,"",,"MHPG",,,,,6274,534-82-7,,FBWPWWWZWKPJFL-UHFFFAOYSA-N,"InChI=1S/C9H12O4/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,10-12H,5H2,1H3",[H]OC1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C([H])(O[H])C([H])([H])O[H]
M00822,"[3-Methyl-2-Oxobutanoate Dehydrogenase (2-Methylpropanoyl-Transferring)]",C4H6N2O3R2,0,0,0,C04726,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00823,"[3-Methyl-2-Oxobutanoate Dehydrogenase (2-Methylpropanoyl-Transferring)] Phosphate",C4H7N2O6PR2,0,0,0,C01308,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OP(=O)(O[H])OC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M00839,"3-Oxo-11Cis-Docosenoyl Coenzyme A",C43H70N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00839,,NaN,"",,"",,,,,NaN,,,APIHVASDEGHJEQ-OVCNQHBTSA-J,"InChI=1S/C43H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h13-14,29-30,32,36-38,42,54-55H,4-12,15-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b14-13-/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00841,"3-oxo-11-cis-octadecenoyl-CoA",C39H62N7O18P3S,-4,1041.94,1041.310685,,72551571,76555,HMDB0062361,"",,M00841,,NaN,"",,"",,,,,NaN,,,OUROWZUTGFHRJE-SAIINBSPSA-J,"InChI=1S/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h9-10,25-26,28,32-34,38,50-51H,4-8,11-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b10-9-/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00843,"3-Oxo-13-Cis-Eicosenoyl Coenzyme A",C41H66N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00843,,NaN,"",,"",,,,,NaN,,,YOTWNHFOPMWWQA-VIJLPUGQSA-J,"InChI=1S/C41H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h9-10,27-28,30,34-36,40,52-53H,4-8,11-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b10-9-/t30-,34-,35-,36+,40-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00849,"3-Oxo-7-Hexadecenoyl Coenzyme A",C37H58N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00849,,NaN,"",,"",,,,,NaN,,,BUCIFQOXNYHEOO-YDGGZUKGSA-N,"InChI=1S/C37H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h11-12,23-24,26,30-32,36,48-49H,4-10,13-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b12-11-/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00852,"3-Oxo-9-Cis-Eicosenoyl Coenzyme A",C41H66N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00852,,NaN,"",,"",,,,,NaN,,,YALOALOWOFBCTP-MDNSONPLSA-J,"InChI=1S/C41H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h13-14,27-28,30,34-36,40,52-53H,4-12,15-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/b14-13-/t30-,34-,35-,36+,40-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00860,"3-Oxodocasa-Cis,Cis-13,16-Dienoyl Coenzyme A",C43H68N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00860,,NaN,"",,"",,,,,NaN,,,VNJQSRVXTRJVAZ-VFEFGGRMSA-J,"InChI=1S/C43H78N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-32,36-38,42,51,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/t31?,32-,36-,37-,38+,42-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00862,"3-Oxo-Docosa-13,16,19-All-Cis-Trienoyl Coenzyme A",C43H66N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00862,,NaN,"",,"",,,,,NaN,,,UERYNYFAFQPKQI-TYDLXKLOSA-J,"InChI=1S/C43H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h5-6,8-9,11-12,29-30,32,36-38,42,54-55H,4,7,10,13-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b6-5-,9-8-,12-11-/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00869,"3-Oxoeicosa-Cis,Cis,Cis-11,14,17-Trienoyl Coenzyme A",C41H62N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00869,,NaN,"",,"",,,,,NaN,,,,"",
M00871,"3-Oxo-Eicosadienoyl Coenzyme A",C41H64N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00871,,NaN,"",,"",,,,,NaN,,,,"",
M00873,"3-Oxoheneicosanoyl Coenzyme A",C42H70N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00873,,NaN,"",,"",,,,,NaN,,,VPEVFJQCFYQIIX-VPRYAHRDSA-N,"InChI=1S/C42H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(50)25-33(52)71-24-23-44-32(51)21-22-45-40(55)37(54)42(2,3)27-64-70(61,62)67-69(59,60)63-26-31-36(66-68(56,57)58)35(53)41(65-31)49-29-48-34-38(43)46-28-47-39(34)49/h28-29,31,35-37,41,53-54H,4-27H2,1-3H3,(H,44,51)(H,45,55)(H,59,60)(H,61,62)(H2,43,46,47)(H2,56,57,58)/t31-,35-,36-,37+,41-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00874,"3-Oxoheptadecanoyl-ACP",C17H31O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00875,"3-Oxoheptadecanoyl Coenzyme A",C38H62N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00875,,NaN,"",,"",,,,,NaN,,,YTOVZXHXGTWZRS-DUPKZGIXSA-J,"InChI=1S/C38H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-26(46)21-29(48)67-20-19-40-28(47)17-18-41-36(51)33(50)38(2,3)23-60-66(57,58)63-65(55,56)59-22-27-32(62-64(52,53)54)31(49)37(61-27)45-25-44-30-34(39)42-24-43-35(30)45/h24-25,27,31-33,37,49-50H,4-23H2,1-3H3,(H,40,47)(H,41,51)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/p-4/t27-,31-,32-,33+,37-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00876,"3-Oxoheptanoyl-ACP",C7H11O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00877,"3-Oxoheptanoyl Coenzyme A",C28H42N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00877,,NaN,"",,"",,,,,NaN,,,FEXBJMLGPVUJAL-SVHODSNWSA-J,"InChI=1S/C28H46N7O18P3S/c1-4-5-6-16(36)11-19(38)57-10-9-30-18(37)7-8-31-26(41)23(40)28(2,3)13-50-56(47,48)53-55(45,46)49-12-17-22(52-54(42,43)44)21(39)27(51-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-15,17,21-23,27,39-40H,4-13H2,1-3H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/p-4/t17-,21-,22-,23+,27-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00879,"3-Oxohexacosyl-CoA",C47H78N7O18P3S,-4,1160.192,1159.480639,,25271602,52977,HMDB0060241,"",,M00879,,26333175,"",,"",,,,,NaN,,,VOMUIFOBQMYJPJ-CPIGOPAHSA-N,"InChI=1S/C47H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-34,36,40-42,46,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/t36-,40-,41-,42+,46-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00885,"3-Oxomyrist-5-Enoyl Coenzyme A",C35H54N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00885,,NaN,"",,"",,,,,NaN,,,KADPWMJVUVWQNK-MCZZQJTKSA-N,"InChI=1S/C35H58N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h11-12,21-22,24,28-30,34,46-47H,4-10,13-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b12-11+/t24-,28-,29-,30+,34-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00887,"3-Oxononadecanoyl Coenzyme A",C40H66N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00887,,NaN,"",,"",,,,,NaN,,,HKTHTTRMMCLXNS-ZOUGCNRJSA-N,"InChI=1S/C40H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(48)23-31(50)69-22-21-42-30(49)19-20-43-38(53)35(52)40(2,3)25-62-68(59,60)65-67(57,58)61-24-29-34(64-66(54,55)56)33(51)39(63-29)47-27-46-32-36(41)44-26-45-37(32)47/h26-27,29,33-35,39,51-52H,4-25H2,1-3H3,(H,42,49)(H,43,53)(H,57,58)(H,59,60)(H2,41,44,45)(H2,54,55,56)/t29-,33-,34-,35+,39-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00888,"3-Oxononanoyl-ACP",C9H15O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00889,"3-Oxononanoyl Coenzyme A",C30H46N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00889,,NaN,"",,"",,,,,NaN,,,RIPHVCNHAHVWBC-FUEUKBNZSA-J,"InChI=1S/C30H50N7O18P3S/c1-4-5-6-7-8-18(38)13-21(40)59-12-11-32-20(39)9-10-33-28(43)25(42)30(2,3)15-52-58(49,50)55-57(47,48)51-14-19-24(54-56(44,45)46)23(41)29(53-19)37-17-36-22-26(31)34-16-35-27(22)37/h16-17,19,23-25,29,41-42H,4-15H2,1-3H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/t19-,23-,24-,25+,29-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00896,"3-Oxopentadecanoyl-ACP",C15H27O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00897,"3-Oxopentadecanoyl Coenzyme A",C36H58N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00897,,NaN,"",,"",,,,,NaN,,,HTAGSKVDMGVNFW-VTINEICCSA-J,"InChI=1S/C36H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-24(44)19-27(46)65-18-17-38-26(45)15-16-39-34(49)31(48)36(2,3)21-58-64(55,56)61-63(53,54)57-20-25-30(60-62(50,51)52)29(47)35(59-25)43-23-42-28-32(37)40-22-41-33(28)43/h22-23,25,29-31,35,47-48H,4-21H2,1-3H3,(H,38,45)(H,39,49)(H,53,54)(H,55,56)(H2,37,40,41)(H2,50,51,52)/p-4/t25-,29-,30-,31+,35-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00898,"3-Oxopentanoyl-ACP",C5H7O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00899,"3-Oxopentanoyl Coenzyme A",C26H38N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00899,,NaN,"",,"",,,,,NaN,,,WIOQNWTZBOQTEU-ZMHDXICWSA-J,"InChI=1S/C26H42N7O18P3S/c1-4-14(34)9-17(36)55-8-7-28-16(35)5-6-29-24(39)21(38)26(2,3)11-48-54(45,46)51-53(43,44)47-10-15-20(50-52(40,41)42)19(37)25(49-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-13,15,19-21,25,37-38H,4-11H2,1-3H3,(H,28,35)(H,29,39)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t15-,19-,20-,21+,25-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00907,"3-Oxotricosanoyl Coenzyme A",C44H74N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00907,,NaN,"",,"",,,,,NaN,,,ZSAHXMJCHNGTHV-IDCBOFBBSA-J,"InChI=1S/C44H78N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32(52)27-35(54)73-26-25-46-34(53)23-24-47-42(57)39(56)44(2,3)29-66-72(63,64)69-71(61,62)65-28-33-38(68-70(58,59)60)37(55)43(67-33)51-31-50-36-40(45)48-30-49-41(36)51/h30-31,33,37-39,43,55-56H,4-29H2,1-3H3,(H,46,53)(H,47,57)(H,61,62)(H,63,64)(H2,45,48,49)(H2,58,59,60)/p-4/t33-,37-,38-,39+,43-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00908,"3-Oxotridecanoyl-ACP",C13H23O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00909,"3-Oxotridecanoyl Coenzyme A",C34H54N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00909,,NaN,"",,"",,,,,NaN,,,RPCRDEANMRLRDP-QYIUPXBKSA-J,"InChI=1S/C34H58N7O18P3S/c1-4-5-6-7-8-9-10-11-12-22(42)17-25(44)63-16-15-36-24(43)13-14-37-32(47)29(46)34(2,3)19-56-62(53,54)59-61(51,52)55-18-23-28(58-60(48,49)50)27(45)33(57-23)41-21-40-26-30(35)38-20-39-31(26)41/h20-21,23,27-29,33,45-46H,4-19H2,1-3H3,(H,36,43)(H,37,47)(H,51,52)(H,53,54)(H2,35,38,39)(H2,48,49,50)/p-4/t23-,27-,28-,29+,33-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00910,"3-Oxoundecanoyl-ACP",C11H19O2SR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M00911,"3-Oxoundecanoyl Coenzyme A",C32H50N7O18P3S,-4,0,0,,NaN,NaN,,"",,M00911,,NaN,"",,"",,,,,NaN,,,QHTSGLOEFUUAFO-GRBGHKMPSA-J,"InChI=1S/C32H54N7O18P3S/c1-4-5-6-7-8-9-10-20(40)15-23(42)61-14-13-34-22(41)11-12-35-30(45)27(44)32(2,3)17-54-60(51,52)57-59(49,50)53-16-21-26(56-58(46,47)48)25(43)31(55-21)39-19-38-24-28(33)36-18-37-29(24)39/h18-19,21,25-27,31,43-44H,4-17H2,1-3H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/p-4/t21-,25-,26-,27+,31-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M00915,"3'-Phosphopolynucleotide",C10H18O13P2R2(C5H8O6PR)n,-2,0,0,C03463,NaN,1359,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M00917,"3-Succinoylpyridine",C9H9NO3,0,179.1727,179.0582432,C19569,437,66951,HMDB0000992,"",,,FDB022355,424,"CPD-3192",,"",,,,,5924,4192-31-8,,JGSUNMCABQUBOY-UHFFFAOYSA-N,"InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)",[H]OC(=O)C([H])([H])C([H])([H])C(=O)C1=C([H])N=C([H])C([H])=C1[H]
M00927,"4-(Methylnitrosamino)-1-(1-oxido-3-pyridinyl)-1-butanone",C10H13N3O3,0,223.232,223.0956913,C19602,156652,NaN,HMDB0062375,"",,,,NaN,"",,"",,,,,NaN,76014-82-9,DTXSID40226924,KRRWRVSPMYAJPF-UHFFFAOYSA-N,"InChI=1S/C10H13N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8H,3,5-6H2,1H3",[H]C1=C([H])C(=C([H])[N+]([O-])=C1[H])C(=O)C([H])([H])C([H])([H])C([H])([H])N(N=O)C([H])([H])[H]
M00928,"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol glucuronide",C16H23N3O8,0,385.3691,385.1485147,C19605,183009,82591,HMDB0060383,"",,,,159162,"",,"",,,,,NaN,,,KNPUXTWHFSLCDT-BBYIEOQPSA-N,"InChI=1S/C16H23N3O8/c1-19(18-25)7-3-5-10(9-4-2-6-17-8-9)26-16-13(22)11(20)12(21)14(27-16)15(23)24/h2,4,6,8,10-14,16,20-22H,3,5,7H2,1H3,(H,23,24)/t10?,11-,12-,13+,14-,16+/m0/s1",[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC([H])(C2=C([H])N=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])N(N=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M00929,"4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanol",C10H15N3O2,0,209.249,209.1164267,C19574,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,76014-81-8,DTXSID8020880,OGRXKBUCZFFSTL-UHFFFAOYSA-N,"InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3",[H]OC([H])(C1=C([H])N=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N(N=O)C([H])([H])[H]
M00930,"Nnal-N-oxide",C10H15N3O3,0,225.2444,225.1113414,C19603,150097,82589,HMDB0041953,"",,,,132320,"",,"",,,,,NaN,85352-99-4,,DKBKTKUNVONEGX-UHFFFAOYSA-N,"InChI=1S/C10H15N3O3/c1-12(11-15)6-3-5-10(14)9-4-2-7-13(16)8-9/h2,4,7-8,10,14H,3,5-6H2,1H3",[H]OC([H])(C1=C([H])[N+]([O-])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N(N=O)C([H])([H])[H]
M00931,"4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanone",C9H11N3O2,0,193.206,193.0851266,C19564,53297438,82562,HMDB0062376,"",,,,NaN,"",,"",,,,,NaN,,,NCSVUFYZLCBFKE-UHFFFAOYSA-N,"InChI=1S/C9H11N3O2/c13-9(4-2-6-11-12-14)8-3-1-5-10-7-8/h1,3,5,7H,2,4,6H2,(H,11,14)",[H]N(N=O)C([H])([H])C([H])([H])C([H])([H])C(=O)C1=C([H])N=C([H])C([H])=C1[H]
M00932,"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone",C10H13N3O2,0,207.2291,207.1007767,C16453,47289,32692,HMDB0011603,"",,,FDB028314,43038,"",,"4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone",DBMET00613,,,,NaN,64091-91-4,DTXSID3020881,FLAQQSHRLBFIEZ-UHFFFAOYSA-N,"InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3",[H]C1=NC([H])=C(C([H])=C1[H])C(=O)C([H])([H])C([H])([H])C([H])([H])N(N=O)C([H])([H])[H]
M00937,"4,4-Dimethyl-14Alpha-Formyl-5Alpha-Cholesta-8,24-Dien-3Beta-Ol",C30H48O2,0,0,0,,NaN,NaN,,"",,M00937,,NaN,"",,"",,,,,NaN,,,PGGIMLIQOHYFIS-QCIVTXEGSA-N,"InChI=1S/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22?,25?,26+,28-,29-,30-/m0/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C3=C(C([H])([H])C([H])([H])C2([H])C1(C([H])([H])[H])C([H])([H])[H])[C@]1(C([H])=O)C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])[H]
M00938,"4,4-Dimethyl-14Alpha-Formyl-5Alpha-Cholest-8-En-3Beta-Ol",C30H50O2,0,0,0,,NaN,NaN,,"",,M00938,,NaN,"",,"",,,,,NaN,,,MKMLAQLNFVFNRK-QCIVTXEGSA-N,"InChI=1S/C30H50O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h19-22,25-26,32H,8-18H2,1-7H3/t21-,22?,25?,26+,28-,29-,30-/m0/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C3=C(C([H])([H])C([H])([H])C2([H])C1(C([H])([H])[H])C([H])([H])[H])[C@]1(C([H])=O)C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])[H]
M00939,"4,4-Dimethyl-14Alpha-Hydroxymethyl-5Alpha-Cholesta-8,24-Dien-3Beta-Ol",C30H50O2,0,0,0,,NaN,NaN,,"",,M00939,,NaN,"",,"",,,,,NaN,,,DWVYYKFZEDMMPU-QCIVTXEGSA-N,"InChI=1S/C30H50O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,21-22,25-26,31-32H,8,10-19H2,1-7H3/t21-,22?,25?,26+,28-,29-,30-/m0/s1",[H]OC([H])([H])[C@]12C3=C(C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])C([H])(C([H])([H])C2([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])C([H])([H])C3([H])[H]
M00940,"4,4-Dimethyl-14Alpha-Hydroxymethyl-5Alpha-Cholest-8-En-3Beta-Ol",C30H52O2,0,0,0,,NaN,NaN,,"",,M00940,,NaN,"",,"",,,,,NaN,,,SJPDNXKPBQHPMZ-QCIVTXEGSA-N,"InChI=1S/C30H52O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h20-22,25-26,31-32H,8-19H2,1-7H3/t21-,22?,25?,26+,28-,29-,30-/m0/s1",[H]OC([H])([H])[C@]12C3=C(C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])C([H])(C([H])([H])C2([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C1([H])C([H])([H])C3([H])[H]
M00942,"4,4-Dimethyl-5Alpha-Cholesta-8,14-Dien-3Beta-Ol",C29H48O,0,0,0,,NaN,NaN,,"",,M00942,,NaN,"",,"",,,,,NaN,,,OGQJUYXFIOFTMA-HAJUTIECSA-N,"InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h13,19-20,22,25-26,30H,8-12,14-18H2,1-7H3/t20-,22?,25?,26+,28-,29-/m0/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C3=C(C4=C([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C2([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
M00944,"4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene",C30H29N3O7S,0,575.632,575.172621,C14855,11954068,NaN,HMDB0060391,"",,,,10128363,"",,"",,,,,NaN,,,PZXCOGFLSNREMF-SUZCJKPRSA-N,"InChI=1S/C30H29N3O7S/c31-21(30(39)40)10-11-23(34)33-22(29(38)32-13-24(35)36)14-41-28-20-12-16-4-1-2-6-17(16)18-9-8-15-5-3-7-19(27(28)37)25(15)26(18)20/h1-9,12,21-22,27-28,37H,10-11,13-14,31H2,(H,32,38)(H,33,34)(H,35,36)(H,39,40)/t21-,22-,27?,28?/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC1([H])C2=C3C(C([H])=C([H])C4=C3C(=C([H])C([H])=C4[H])C1([H])O[H])=C1C([H])=C([H])C([H])=C([H])C1=C2[H]
M00951,"4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone",C10H13N3O3,0,223.232,223.0956913,C19563,53297437,82561,HMDB0062382,"",,,,NaN,"",,"",,,,,NaN,,,DADWKWOJOMSGPK-UHFFFAOYSA-N,"InChI=1S/C10H13N3O3/c14-8-13(12-16)6-2-4-10(15)9-3-1-5-11-7-9/h1,3,5,7,14H,2,4,6,8H2",[H]OC([H])([H])N(N=O)C([H])([H])C([H])([H])C([H])([H])C(=O)C1=C([H])N=C([H])C([H])=C1[H]
M00954,"4'-Carboxy-4'-Methyl-5'-Cholesta-8-En-3'-Ol",C29H48O3,0,0,0,,NaN,NaN,,"",,M00954,,NaN,"",,"",,,,,NaN,,,,"",
M00955,"4'-Carboxy-5'-Cholesta-8,24-Dien-3'-Ol",C28H44O3,0,0,0,,NaN,NaN,,"",,M00955,,NaN,"",,"",,,,,NaN,,,,"",
M00956,"4'-Carboxy-5'-Cholesta-8-En-3'-Ol",C28H46O3,0,0,0,,NaN,NaN,,"",,M00956,,NaN,"",,"",,,,,NaN,,,,"",
M00957,"4'-Formyl-4'-Methyl-5'-Cholesta-8,24-Dien-3'-Ol",C29H46O2,0,0,0,,NaN,NaN,,"",,M00957,,NaN,"",,"",,,,,NaN,,,,"",
M00958,"4'-Formyl-4'-Methyl-5'-Cholesta-8-En-3'-Ol",C29H48O2,0,0,0,,NaN,NaN,,"",,M00958,,NaN,"",,"",,,,,NaN,,,,"",
M00959,"4'-Formyl-5'-Cholesta-8,24-Dien-3'-Ol",C28H44O2,0,0,0,,NaN,NaN,,"",,M00959,,NaN,"",,"",,,,,NaN,,,,"",
M00960,"4Alpha-Formyl-5Alpha-Cholesta-8-En-3Beta-Ol",C28H46O2,0,0,0,,NaN,NaN,,"",,M00960,,NaN,"",,"",,,,,NaN,,,MHYWFGFPMGLYBL-NUESBDPTSA-N,"InChI=1S/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h17-19,21-24,26,30H,6-16H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-,28+/m1/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C3=C(C([H])([H])C([H])([H])[C@@]2([H])[C@]1([H])C([H])=O)[C@]1([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])[H]
M00961,"4'-Hydroxymethyl-4'-Methyl-5'-Cholesta-8,24-Dien-3'-Ol",C29H48O2,0,0,0,,NaN,NaN,,"",,M00961,,NaN,"",,"",,,,,NaN,,,,"",
M00962,"4'-Hydroxymethyl-4'-Methyl-5'-Cholesta-8-En-3'-Ol",C29H50O2,0,0,0,,NaN,NaN,,"",,M00962,,NaN,"",,"",,,,,NaN,,,,"",
M00963,"4'-Hydroxymethyl-5'-Cholesta-8,24-Dien-3'-Ol",C28H46O2,0,0,0,,NaN,NaN,,"",,M00963,,NaN,"",,"",,,,,NaN,,,,"",
M00964,"4Alpha-Hydroxymethyl-5Alpha-Cholesta-8-En-3Beta-Ol",C28H48O2,0,0,0,,NaN,NaN,,"",,M00964,,NaN,"",,"",,,,,NaN,,,UPEGTKGKNWDIAN-NUESBDPTSA-N,"InChI=1S/C28H48O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h18-19,21-24,26,29-30H,6-17H2,1-5H3/t19-,21+,22-,23+,24+,26+,27-,28+/m1/s1",[H]OC([H])([H])[C@]1([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@@]2(C3=C(C([H])([H])C([H])([H])[C@@]12[H])[C@]1([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])[H]
M00966,"4'-Methyl-5'-Cholesta-8-En-3-One",C28H46O,0,0,0,,NaN,NaN,,"",,M00966,,NaN,"",,"",,,,,NaN,,,,"",
M00967,"4'-Methyl-Cholesta-8-Enol",C28H48O,0,0,0,,NaN,NaN,,"",,M00967,,NaN,"",,"",,,,,NaN,,,,"",
M00972,"4-Bromo-3,5-cyclohexadiene-1,2-dione",C6H3BrO2,0,186.992,185.931642,C14846,11954065,NaN,HMDB0062395,"",,,,NaN,"",,"",,,,,NaN,,DTXSID50474631,LTHKZYVCVXHKLZ-UHFFFAOYSA-N,"InChI=1S/C6H3BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3H",[H]C1=C([H])C(=O)C(=O)C([H])=C1Br
M00973,"4-Bromocatechol",C6H5BrO2,0,189.008,187.947292,C14843,28487,NaN,HMDB0062396,"",,,,NaN,"",,"",,,,,NaN,17345-77-6,DTXSID10169617,AQVKHRQMAUJBBP-UHFFFAOYSA-N,"InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H",[H]OC1=C(O[H])C([H])=C(Br)C([H])=C1[H]
M00974,"4-Bromophenol",C6H5BrO,0,173.007,171.9523774,C14453,7808,47248,HMDB0062397,"",,,,NaN,"",,"",,,,C00036569,NaN,106-41-2,DTXSID3051543,GZFGOTFRPZRKDS-UHFFFAOYSA-N,"InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H",[H]OC1=C([H])C([H])=C(Br)C([H])=C1[H]
M00975,"4-Bromophenol-2,3-epoxide",C6H5BrO2,0,189.008,187.947292,C14845,11954064,34390,HMDB0062398,"",,,,NaN,"",,"",,,,,NaN,,,NIXDKVLCYSTGRG-UHFFFAOYSA-N,"InChI=1S/C6H5BrO2/c7-3-1-2-4(8)6-5(3)9-6/h1-2,5-6,8H",[H]OC1=C([H])C([H])=C(Br)C2([H])OC12[H]
M00976,"4-Cholesten-7',12',24-Triol-3-One",C27H44O4,0,0,0,,NaN,48714,,"",,M00976,,NaN,"",,"",,,,,NaN,,,JZKUXZQOULZTIJ-UAAHWPGTSA-N,"InChI=1S/C27H44O4/c1-15(2)22(29)9-6-16(3)19-7-8-20-25-21(14-24(31)27(19,20)5)26(4)11-10-18(28)12-17(26)13-23(25)30/h12,15-16,19-25,29-31H,6-11,13-14H2,1-5H3/t16-,19?,20?,21?,22?,23-,24+,25?,26+,27-/m0/s1",[H]OC([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
M00977,"7Alpha,12Alpha,26-Trihydroxycholest-4-En-3-One",C27H44O4,0,0,0,,NaN,NaN,,"",,M00977,,NaN,"",,"",,,,,NaN,,,WOODKECARRKLJJ-ZARIYXLJSA-N,"InChI=1S/C27H44O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h12,16-17,20-25,28,30-31H,5-11,13-15H2,1-4H3/t16?,17-,20?,21?,22?,23-,24+,25?,26+,27-/m0/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H]
M00978,"7Alpha,24-Dihydroxycholest-4-En-3-One",C27H44O3,0,0,0,,NaN,NaN,,"",,M00978,,NaN,"",,"",,,,,NaN,,,LFFHZNXDGBQZCO-UMRBCMIASA-N,"InChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20?,21?,22?,23?,24-,25?,26+,27-/m0/s1",[H]OC([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
M00979,"7Alpha,26-Dihydroxycholest-4-En-3-One",C27H44O3,0,0,0,,NaN,NaN,,"",,M00979,,NaN,"",,"",,,,,NaN,,,KVJVJJWIEXCECB-NBOGDTNFSA-N,"InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17?,18-,21?,22?,23?,24-,25?,26+,27-/m0/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
M00985,"4-Hydroxy-1-(3-pyridinyl)-1-butanone",C9H11NO2,0,165.1891,165.0789786,C19565,107819,NaN,HMDB0062402,"",,,,NaN,"",,"",,,,,NaN,59578-62-0,DTXSID40208240,KTXUGZHJVRHQGP-UHFFFAOYSA-N,"InChI=1S/C9H11NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2",[H]OC([H])([H])C([H])([H])C([H])([H])C(=O)C1=C([H])N=C([H])C([H])=C1[H]
M00992,"4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone",C10H13N3O3,0,223.232,223.0956913,C19566,53297439,NaN,HMDB0062404,"",,,,NaN,"",,"",,,,,NaN,,,UIPLZNGNFRQXQE-UHFFFAOYSA-N,"InChI=1S/C10H13N3O3/c1-13(12-16)10(15)5-4-9(14)8-3-2-6-11-7-8/h2-3,6-7,10,15H,4-5H2,1H3",[H]OC([H])(N(N=O)C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C1=C([H])N=C([H])C([H])=C1[H]
M01014,"Isohexanol",C6H14O,0,102.1748,102.1044651,,12296,63910,HMDB0059889,"",,,,11793,"",,"4-Methylpentan-1-ol",,,,,NaN,,DTXSID0044313,PCWGTDULNUVNBN-UHFFFAOYSA-N,"InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
M01018,"4-N-(N-Acetyl-D-Glucosaminyl)-Protein",C13H20N4O8R2,0,0,0,C04375,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N([H])C(=O)C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M01025,"4-Oxo-1-(3-pyridyl)-1-butanone",C9H9NO2,0,163.176,163.0633285,C19567,115084,66879,HMDB0062406,"",,,,NaN,"",,"",,,,,NaN,76014-80-7,DTXSID80226923,CFONOJVUTZAMCB-UHFFFAOYSA-N,"InChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2",[H]C(=O)C([H])([H])C([H])([H])C(=O)C1=C([H])N=C([H])C([H])=C1[H]
M01032,"4-Oxoretinol",C20H28O2,0,300.4351,300.2089301,C16683,5289090,NaN,HMDB0012329,"",,,FDB028948,4451124,"",,"",,,,,NaN,62702-55-0,,PLIUCYCUYQIBDZ-RMWYGNQTSA-N,"InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+",[H]OC([H])([H])C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C1=C(C(=O)C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H]
M01035,"5-(3-Pyridyl)-2-hydroxytetrahydrofuran",C9H11NO2,0,165.192,165.0789786,C19578,179630,82572,HMDB0062407,"",,,,NaN,"",,"",,,,,NaN,53798-73-5,,LHGVLZHIYVKZBT-UHFFFAOYSA-N,"InChI=1S/C9H11NO2/c11-9-4-3-8(12-9)7-2-1-5-10-6-7/h1-2,5-6,8-9,11H,3-4H2",[H]OC1([H])OC([H])(C2=C([H])C([H])=C([H])N=C2[H])C([H])([H])C1([H])[H]
M01036,"5-(D-Galactosyloxy)-L-Lysine-Procollagen",C13H23N3O8R2,0,0,0,C04487,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]([H])(C([H])([H])N([H])[H])C([H])([H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
M01051,"5,6-Dihydroxy-8Z,11Z,14Z-Eicosatrienoic Acid",C20H33O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GFNYAPAJUNPMGH-QNEBEIHSSA-N,"InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(21)19(22)16-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])(O[H])C([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01067,"5Alpha-Cholesta-8,24-Dien-3-One",C27H42O,0,0,0,,NaN,52386,,"",,M01067,,NaN,"",,"",,,,,NaN,,,AUNLIRXIJAVBNM-KHLBBVNMSA-N,"InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-20,23-24H,6,8-17H2,1-5H3/t19-,20?,23?,24?,26+,27-/m0/s1",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3=C(C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C1([H])C([H])([H])C3([H])[H]
M01068,"5Alpha-Cholest-8-En-3-One",C27H44O,0,0,0,,NaN,NaN,,"",,M01068,,NaN,"",,"",,,,,NaN,,,RZSXSHNNQBIPTL-KHLBBVNMSA-N,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,23-24H,6-17H2,1-5H3/t19-,20?,23?,24?,26+,27-/m0/s1",[H]C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3=C(C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C([H])([H])C1([H])C([H])([H])C3([H])[H]
M01075,"androst-5-ene-3,17-dione",C19H26O2,0,286.415,286.1932801,C20252,160531,83865,HMDB0062415,"",,M01075,,141063,"",,"??5-Androstenedione",DB01456,,,,NaN,571-36-8,,SQGZFRITSMYKRH-QAGGRKNESA-N,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,14-16H,4-11H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",[H]C1=C2C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]3(C(=O)C([H])([H])C([H])([H])[C@@]3([H])[C@]2([H])C1([H])[H])C([H])([H])[H]
M01076,"5Beta-Cholestan-3Alpha,7Alpha,12Alpha,24(S),27-Pentol",C27H48O5,0,0,0,,NaN,NaN,,"",,M01076,,NaN,"",,"",,,,,NaN,,,RQBUMNFWJTZAHT-AXDINSSZSA-N,"InChI=1S/C27H48O5/c1-18(16-28)14-20(30)15-25(3,31)23-10-13-27(32)22-8-7-19-6-4-5-11-24(19,2)21(22)9-12-26(23,27)17-29/h18-23,28-32H,4-17H2,1-3H3/t18?,19-,20?,21-,22+,23+,24-,25+,26-,27+/m0/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])(O[H])C([H])([H])[C@](O[H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(O[H])[C@]3([H])C([H])([H])C([H])([H])[C@]4([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])O[H]
M01077,"5Beta-Cholestan-3Alpha,7Alpha,12Alpha,24(S)-Tetrol",C27H48O4,0,0,0,,NaN,NaN,,"",,M01077,,NaN,"",,"",,,,,NaN,,,DOMPIYLJQFTRGI-OBEKCOGISA-N,"InChI=1S/C27H48O4/c1-15(2)22(29)9-6-16(3)19-7-8-20-25-21(14-24(31)27(19,20)5)26(4)11-10-18(28)12-17(26)13-23(25)30/h15-25,28-31H,6-14H2,1-5H3/t16-,17?,18-,19?,20?,21?,22+,23-,24+,25?,26+,27-/m1/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
M01079,"5Beta-Cholestane-3Alpha,7Alpha,24,26-Tetrol",C27H48O4,0,0,0,,NaN,NaN,,"",,M01079,,NaN,"",,"",,,,,NaN,,,KOHAQNVGTABZFS-MWDRPLOESA-N,"InChI=1S/C27H48O4/c1-16(5-8-23(30)17(2)15-28)20-6-7-21-25-22(10-12-27(20,21)4)26(3)11-9-19(29)13-18(26)14-24(25)31/h16-25,28-31H,5-15H2,1-4H3/t16-,17?,18?,19-,20?,21?,22?,23?,24-,25?,26+,27-/m0/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])(O[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
M01080,"5Beta-Cholestane-3Alpha,7Alpha,24-Triol",C27H48O3,0,0,0,,NaN,NaN,,"",,M01080,,NaN,"",,"",,,,,NaN,,,VDKSIHRRZLCAGD-QSPFNZPBSA-N,"InChI=1S/C27H48O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h16-25,28-30H,6-15H2,1-5H3/t17-,18?,19-,20?,21?,22?,23?,24-,25?,26+,27-/m0/s1",[H]OC([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
M01081,"7Alpha,24-Dihydroxy-5Beta-Cholestan-3-One",C27H46O4,0,0,0,,NaN,NaN,,"",,M01081,,NaN,"",,"",,,,,NaN,,,OESDJUYDQFBVDE-LZOBUZKPSA-N,"InChI=1S/C27H46O4/c1-15(2)22(29)9-6-16(3)19-7-8-20-25-21(14-24(31)27(19,20)5)26(4)11-10-18(28)12-17(26)13-23(25)30/h15-17,19-25,29-31H,6-14H2,1-5H3/t16-,17?,19?,20?,21?,22?,23-,24+,25?,26+,27-/m0/s1",[H]OC([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4([H])C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
M01082,"5Beta-Cholestan-7Alpha,12Alpha,27-Triol-3-One",C27H46O4,0,0,0,,NaN,NaN,,"",,M01082,,NaN,"",,"",,,,,NaN,,,UCVRZTRGVBWBPR-SSGCBCEYSA-N,"InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-18,20-25,28,30-31H,5-15H2,1-4H3/t16?,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H]
M01083,"7Alpha,24Alpha-Dihydroxy-5Beta-Cholestan-3-One",C27H46O3,0,0,0,,NaN,NaN,,"",,M01083,,NaN,"",,"",,,,,NaN,,,FGKQZAUZOBFLBY-MZBFGYQPSA-N,"InChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18?,20?,21?,22?,23?,24-,25?,26+,27-/m0/s1",[H]OC([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4([H])C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
M01084,"7Alpha,26-Dihydroxy-5Beta-Cholestan-3-One",C27H46O3,0,0,0,,NaN,NaN,,"",,M01084,,NaN,"",,"",,,,,NaN,,,HXGWUGDCIVSGLK-DHWIBLRGSA-N,"InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-19,21-25,28,30H,5-16H2,1-4H3/t17?,18-,19?,21?,22?,23?,24-,25?,26+,27-/m0/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4([H])C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
M01092,"27-Deoxy-5b-cyprinol",C27H48O4,0,436.6676,436.35526,C05446,193321,17278,HMDB0001231,"",,,FDB022502,167758,"5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL",,"",,,,,6095,862-53-3,,XJZGNVBLVFOSKJ-FXTKQEBRSA-N,"InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18?,19-,20?,21?,22?,23-,24+,25?,26+,27-/m1/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])[C@]([H])(O[H])C([H])([H])C4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H]
M01094,"5Beta-Cholestane-3Alpha,7Alpha,27-Triol",C27H48O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01111,"5-L-Gamma-Glutamyl Amino Acid",C5H7NO3,0,0,0,,NaN,NaN,,"",,M01111,,NaN,"",,"",,,,,NaN,,,,"",
M01114,"5-Methyltetrahydropteroyltri-L-glutamate",C30H39N9O12,0,717.6838,717.2718178,C04489,16722111,17614,HMDB0012177,"",,,FDB028831,17625689,"CPD-1302",,"",,,,,NaN,,,HVRNKDVLFAVCJF-VJANTYMQSA-N,"InChI=1S/C30H39N9O12/c1-39-16(13-33-24-23(39)26(45)38-30(31)37-24)12-32-15-4-2-14(3-5-15)25(44)36-19(29(50)51)7-10-21(41)34-17(27(46)47)6-9-20(40)35-18(28(48)49)8-11-22(42)43/h2-5,16-19,32H,6-13H2,1H3,(H,34,41)(H,35,40)(H,36,44)(H,42,43)(H,46,47)(H,48,49)(H,50,51)(H4,31,33,37,38,45)/t16-,17-,18-,19-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])[C@]2([H])N(C3=C(N=C(N([H])[H])N([H])C3=O)N([H])C2([H])[H])C([H])([H])[H])C([H])=C1[H])C(=O)O[H])C(=O)O[H])C(=O)O[H]
M01128,"5-Oxoprolyl-Peptide",C7H9N2O4R(C2H2NOR)n,0,0,0,C02805,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@@]1([H])N([H])C(=O)C([H])([H])C1([H])[H]
M01129,"5-Phosphopolynucleotide",C10H16O13P2R2(C5H8O6PR)n,-2,0,0,C03475,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[H])[C@@]1([H])O[H]
M01141,"5Z-tetradecenoyl-CoA",C35H56N7O17P3S,-4,975.88,975.2979257,,70679011,70712,HMDB0062426,"",,M01141,,NaN,"",,"",,,,,NaN,,,MRVDZOHJMLTLHJ-STFCKWFXSA-N,"InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h11-12,22-24,28-30,34,45-46H,4-10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b12-11-/t24-,28-,29-,30+,34-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M01142,"6-(alpha-D-Glucosaminyl)-1D-myo-inositol",C12H23NO10,0,341.3117,341.132196,C15658,NaN,44230,HMDB0011668,"",,,FDB028357,NaN,"6-A-D-GLUCOSAMINYL-1D-MYO-INOSITOL-12",,"",,,,,NaN,,,HEPUIGACZYVUCD-YZRQSVRMSA-N,"InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]2([H])O[H])[C@]([H])(N([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M01156,"6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione",C17H18O8,0,350.323,350.1001675,C19590,53297445,53108,HMDB0062427,"",,,,NaN,"",,"",,,,,NaN,,,OKGOPKLFGPTQFQ-UHFFFAOYSA-N,"InChI=1S/C17H18O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,8,11,18-19,21-22H,2-3,5-6H2,1H3",[H]OC1=C(C2=C(C3=C(C(=O)C([H])([H])C3([H])[H])C(=O)O2)C(OC([H])([H])[H])=C1[H])C([H])(C([H])([H])O[H])C([H])(O[H])C([H])([H])O[H]
M01165,"6-methoxy-3-methyl-2-all-trans-decaprenyl-1,4-benzoquinol",C58H92O3,0,835.355,834.6889968,,50986092,64181,HMDB0062428,"",,M01165,,NaN,"",,"",,,,,NaN,,,XCOXSBLQZPFVGK-RGIWONJESA-N,"InChI=1S/C58H90O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43,59-60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+",[H]OC1=C(C(=C(O[H])C(OC([H])([H])[H])=C1[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
M01166,"6-Methylmercaptopurine",C6H6N4S,0,166.204,166.0313169,C16614,NaN,28279,HMDB0060412,"",,,,NaN,"",,"",,,,,NaN,,,UIJIQXGRFSPYQW-UHFFFAOYSA-N,"InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)",[H]N1C([H])=NC2=C1C(SC([H])([H])[H])=NC([H])=N2
M01167,"6-Ketoprostaglandin E1",C20H31O6,-1,368.4645,368.2198888,C05962,5280889,28269,HMDB0004241,"",,,FDB023346,4444412,"",,"",,,,,7036,67786-53-2,,ROUDCKODIMKLNO-CTBSXBMHSA-N,"InChI=1S/C20H32O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-18,21,23H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)C([H])([H])[C@@]1([H])C(=O)C([H])([H])[C@@]([H])(O[H])[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01173,"7,12-Dimethylbenz[A]Anthracene 5,6-Oxide",C20H16O,0,0,0,C19604,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HVGNLIKFFBYBQM-UHFFFAOYSA-N,"InChI=1S/C20H16O/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19-20(18)21-19/h3-10,19-20H,1-2H3",[H]C1=C([H])C2=C(C3=C(C(=C2C([H])=C1[H])C([H])([H])[H])C1([H])OC1([H])C1=C3C([H])=C([H])C([H])=C1[H])C([H])([H])[H]
M01175,"7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene",C30H29N3O7S,0,575.632,575.172621,C14856,11954069,34479,HMDB0060423,"",,,,10128364,"",,"",,,,,NaN,,,GODDWIDSELPRPA-QMIJOYDGSA-N,"InChI=1S/C30H29N3O7S/c31-21(30(39)40)9-11-24(34)33-22(29(38)32-13-25(35)36)14-41-23-10-8-18-19-7-6-16-3-1-2-15-4-5-17(27(19)26(15)16)12-20(18)28(23)37/h1-8,10,12,21-23,28,37H,9,11,13-14,31H2,(H,32,38)(H,33,34)(H,35,36)(H,39,40)/t21-,22-,23?,28?/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC1([H])C([H])=C([H])C2=C3C([H])=C([H])C4=C([H])C([H])=C([H])C5=C([H])C([H])=C(C([H])=C2C1([H])O[H])C3=C45
M01179,"7Alpha,25-Dihydroxycholest-4-En-3-One",C27H44O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,POUKDTOWHPHYQU-VVPMNMHNSA-N,"InChI=1S/C27H44O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h15,17,20-24,29-30H,6-14,16H2,1-5H3/t17-,20?,21?,22?,23-,24?,26+,27-/m0/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C(=O)C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3([H])C12[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H]
M01184,"3Beta,7Alpha-Dihydroxy-5-Pregnen-20-One",C21H32O3,0,332.4840088,332.2351449,C18038,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,30626-96-1,DTXSID10433466,UEWNVBNIVGLQPG-ZJLPPWEESA-N,"InChI=1S/C21H32O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h11,14-19,23-24H,4-10H2,1-3H3/t14-,15+,16?,17?,18+,19?,20-,21+/m0/s1",[H]O[C@]1([H])C([H])=C2C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C3([H])C12[H]
M01191,"7Z-Hexadecenoyl Coenzyme A",C37H60N7O17P3S,-4,0,0,,NaN,NaN,,"",,M01191,,NaN,"",,"",,,,,NaN,,,MJWMOLDKMBISOB-YDGGZUKGSA-N,"InChI=1S/C37H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h11-12,24-26,30-32,36,47-48H,4-10,13-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b12-11-/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M01195,"7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate",C20H16O4S,0,352.404,352.0769297,,NaN,NaN,HMDB0060420,"",,,,NaN,"",,"",,,,,NaN,,,WYUDBEMLROEPHR-UHFFFAOYSA-N,"InChI=1S/C20H16O4S/c1-13-15-7-4-5-9-17(15)19(12-24-25(21,22)23)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3,(H,21,22,23)",[H]OS(=O)(=O)OC([H])([H])C1=C2C([H])=C([H])C([H])=C([H])C2=C(C2=C3C([H])=C([H])C([H])=C([H])C3=C([H])C([H])=C12)C([H])([H])[H]
M01196,"7-Hydroxymethyl-12-methylbenz[a]anthracene",C20H16O,0,272.3404,272.1201151,,NaN,NaN,HMDB0060419,"",,,,NaN,"",,"",,,,,NaN,,DTXSID20205353,JCBBZYDVQJQMMB-UHFFFAOYSA-N,"InChI=1S/C20H16O/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11,21H,12H2,1H3",[H]OC([H])([H])C1=C2C([H])=C([H])C([H])=C([H])C2=C(C2=C3C([H])=C([H])C([H])=C([H])C3=C([H])C([H])=C12)C([H])([H])[H]
M01197,"(E)-6-Hexadecenoic acid",C16H29O2,-1,254.4082,254.2245802,,5282744,NaN,HMDB0031053,"",,M01197,FDB003053,4445871,"",,"",,,,,NaN,28290-76-8,,NNNVXFKZMRGJPM-ZHACJKMWSA-N,"InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01202,"8S-Hydroxy-5Z,9E,11Z,14Z-Eicosatetraenoic Acid",C20H31O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NLUNAYAEIJYXRB-GTYUHVKWSA-N,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])[C@]([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01203,"8S-Hydoperoxy-5Z,9E,11Z,14Z-Eicosatetraenoic Acid",C20H31O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,QQUFCXFFOZDXLA-GTYUHVKWSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,14-11-,16-13+/t19-/m0/s1",[H]OO[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H]
M01207,"8Z,11Z-Eicosadienoic Acid",C20H35O2,-1,0,0,,NaN,NaN,,"",,M01207,,NaN,"",,"",,,,,NaN,,,XUJWOMMOEOHPFP-OKLKQMLOSA-N,"InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13H,2-8,11,14-19H2,1H3,(H,21,22)/b10-9+,13-12+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01208,"8,9-Dihydroxy-5Z,11Z,14Z-Eicosatrienoic Acid",C20H33O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DCJBINATHQHPKO-TYAUOURKSA-N,"InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])(O[H])C([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01213,"8-Hydroxy-5Z,9E,11Z,14Z-Eicosatetraenoic Acid",C20H31O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NLUNAYAEIJYXRB-HEJOTXCHSA-N,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01217,"9(S)-HPODE",C18H31O4,-1,312.4443,312.2300595,C14827,6439847,NaN,HMDB0006940,"",,,,4944227,"",,"",,,,,NaN,,,JGUNZIWGNMQSBM-WXUVIADPSA-N,"InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+/t17-/m0/s1",[H]OO[C@]([H])(C(\[H])=C(/[H])\C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[H]
M01235,"9Z-eicosenoic acid",C20H37O2,-1,310.522,310.2871805,,5282767,32419,HMDB0062436,"",,M01235,FDB003771,NaN,"",,"",,,,,NaN,,,LQJBNNIYVWPHFW-QXMHVHEDSA-N,"InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01236,"9Z-Eicosenoyl Coenzyme A",C41H68N7O17P3S,-4,0,0,,NaN,NaN,,"",,M01236,,NaN,"",,"",,,,,NaN,,,AHAHBDQMALBXGS-BUHFOSPRSA-J,"InChI=1S/C41H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h13-14,28-30,34-36,40,51-52H,4-12,15-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b14-13+",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
M01237,"9Z-Heptadecenoyl Coenzyme A",C38H62N7O17P3S,-4,0,0,,NaN,NaN,,"",,M01237,,NaN,"",,"",,,,,NaN,,,QVENOJALUCULON-VYZXCZBTSA-J,"InChI=1S/C38H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29(47)66-22-21-40-28(46)19-20-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-23-27-32(61-63(51,52)53)31(48)37(60-27)45-26-44-30-34(39)42-25-43-35(30)45/h10-11,25-27,31-33,37,48-49H,4-9,12-24H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/b11-10-/t27-,31-,32-,33+,37-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M01238,"(Z)-9-Heptadecenoic acid",C17H31O2,-1,268.4348,268.2402303,C16536,5312440,NaN,HMDB0031046,"",,M01238,FDB003041,4471865,"",,"",,,,,NaN,1981-50-6,,QSBYPNXLFMSGKH-HJWRWDBZSA-N,"InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8-9H,2-7,10-16H2,1H3,(H,18,19)/b9-8-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01239,"9-Hydroxy-5Z,7E,11Z,14Z-Eicosatetraenoic Acid",C20H31O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,KATOYYZUTNAWSA-OIZRIKEUSA-N,"InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17,19,21H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9-,13-10-,17-14+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(\[H])C([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01241,"9-Hydroxybenzo[a]pyrene",C20H12O,0,268.315,268.088815,C14556,28598,NaN,HMDB0062438,"",,,,NaN,"",,"",,,,,NaN,17573-21-6,DTXSID20170012,OBBBXCAFTKLFGZ-UHFFFAOYSA-N,"InChI=1S/C20H12O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21H",[H]OC1=C([H])C2=C3C([H])=C([H])C4=C([H])C([H])=C([H])C5=C([H])C([H])=C(C([H])=C2C([H])=C1[H])C3=C45
M01242,"9-Hydroxybenzo[a]pyrene-4,5-oxide",C20H12O2,0,284.314,284.0837296,C14854,115064,34513,HMDB0062439,"",,,,NaN,"",,"",,,,,NaN,61133-85-5,,QMJJLPWCBGOGAF-UHFFFAOYSA-N,"InChI=1S/C20H12O2/c21-12-6-4-11-8-16-18-13(15(11)9-12)7-5-10-2-1-3-14(17(10)18)19-20(16)22-19/h1-9,19-21H",[H]OC1=C([H])C2=C3C([H])=C([H])C4=C5C(=C([H])C([H])=C4[H])C4([H])OC4([H])C(C([H])=C2C([H])=C1[H])=C35
M01251,"N-Acetylarylamine",C8H9NO,0,135.1632,135.0684139,C07565,904,28884,HMDB0001250,"",,,FDB022512,880,"N-ACETYLARYLAMINE",,"Acetanilide",,,,,6107,55576-55-1,DTXSID2022543,FZERHIULMFGESH-UHFFFAOYSA-N,"InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)",[H]N(C(=O)C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
M01268,"Activation-PPARA",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01281,"Adenylyl-molybdopterin",C20H24N10O12P2S2,-2,724.558,724.0648308,C19848,53356705,62728,HMDB0059628,"",,,,26332851,"CPD-8122",,"",,,,,NaN,,,XJXFAXLUOKQPAQ-KSWVXEEXSA-L,"InChI=1S/C20H26N10O12P2S2/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15/h3-7,10-11,18-19,26,31-32,45-46H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H4,22,27,28,29,33)/p-2/t5-,6?,7?,10-,11-,18?,19-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C2([H])OC3([H])N([H])C4=C(N([H])C3([H])C(S[H])=C2S[H])C(=O)N=C(N([H])[H])N4[H])[C@@]1([H])O[H])N1C([H])=NC2=C1N=C([H])N=C2N([H])[H]
M01294,"Aflatoxin B1 Dialdehyde",C16H12O9,0,0,0,C19589,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MTRNKJQPSSVUEH-UHFFFAOYSA-N,"InChI=1S/C16H12O9/c1-23-10-2-8(19)11(6(3-17)9(20)4-18)14-12(10)7-5-24-15(21)13(7)16(22)25-14/h2-4,6,9,19-20H,5H2,1H3",[H]OC1=C([H])C(OC([H])([H])[H])=C2C3=C(C(=O)OC3([H])[H])C(=O)OC2=C1C([H])(C([H])=O)C([H])(O[H])C([H])=O
M01295,"Aflatoxin B1 diol",C17H14O8,0,346.2883,346.0688674,C19588,3035008,NaN,HMDB0060430,"",,,,2299340,"",,"",,,,,NaN,,,JRZBEIPOZPNWID-KFZJALRRSA-N,"InChI=1S/C17H14O8/c1-22-7-4-8-11(12-13(19)16(21)25-17(12)23-8)14-10(7)5-2-3-6(18)9(5)15(20)24-14/h4,12-13,16-17,19,21H,2-3H2,1H3/t12-,13-,16-,17+/m1/s1",[H]O[C@]1([H])O[C@]2([H])OC3=C(C4=C(C5=C(C(=O)C([H])([H])C5([H])[H])C(=O)O4)C(OC([H])([H])[H])=C3[H])[C@]2([H])[C@@]1([H])O[H]
M01297,"Aflatoxin B1-Endo-8,9-Epoxide",C17H12O7,0,0,0,C19595,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,KHBXRZGALJGBPA-CBPVBMDVSA-N,"InChI=1S/C17H12O7/c1-20-7-4-8-11(12-14-17(23-14)24-16(12)21-8)13-10(7)5-2-3-6(18)9(5)15(19)22-13/h4,12,14,16-17H,2-3H2,1H3/t12?,14-,16?,17+/m0/s1",[H]C1=C(OC([H])([H])[H])C2=C(OC(=O)C3=C2C([H])([H])C([H])([H])C3=O)C2=C1OC1([H])O[C@@]3([H])O[C@@]3([H])C21[H]
M01299,"Aflatoxin B1exo-8,9-epoxide-GSH",C27H29N3O13S,0,635.596,635.1421087,C11278,5460816,NaN,HMDB0060431,"",,,,4574259,"",,"",,,,,NaN,,,LYDBAPNRLUDIAS-NCQSKUNESA-N,"InChI=1S/C27H29N3O13S/c1-40-13-6-14-19(22-18(13)9-2-4-12(31)17(9)25(39)42-22)20-21(35)27(43-26(20)41-14)44-8-11(23(36)29-7-16(33)34)30-15(32)5-3-10(28)24(37)38/h6,10-11,20-21,26-27,35H,2-5,7-8,28H2,1H3,(H,29,36)(H,30,32)(H,33,34)(H,37,38)/t10?,11?,20?,21-,26?,27+/m1/s1",[H]OC(=O)C([H])([H])N([H])C(=O)C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])(N([H])[H])C(=O)O[H])C([H])([H])S[C@]1([H])OC2([H])OC3=C(C4=C(C5=C(C(=O)C([H])([H])C5([H])[H])C(=O)O4)C(OC([H])([H])[H])=C3[H])C2([H])[C@@]1([H])O[H]
M01300,"Aflatoxin M1",C17H12O7,0,328.273,328.0583027,C16756,15558498,NaN,HMDB0030479,"",,,FDB002348,21169428,"",,"Aflatoxin",,,,C00023620,NaN,6795-23-9,DTXSID40891797,MJBWDEQAUQTVKK-ZYMOGRSISA-N,"InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16?,17-/m1/s1",[H]O[C@@]12C([H])=C([H])OC1([H])OC1=C2C2=C(C3=C(C(=O)C([H])([H])C3([H])[H])C(=O)O2)C(OC([H])([H])[H])=C1[H]
M01301,"Aflatoxin-M1-8,9-Epoxide",C17H12O8,0,0,0,C19594,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XRWIIRKFSUFIPZ-PJGMDSASSA-N,"InChI=1S/C17H12O8/c1-21-7-4-8-11(17(20)13-15(24-13)25-16(17)22-8)12-10(7)5-2-3-6(18)9(5)14(19)23-12/h4,13,15-16,20H,2-3H2,1H3/t13-,15-,16?,17-/m0/s1",[H]O[C@]12C3=C(OC1([H])O[C@]1([H])O[C@]21[H])C([H])=C(OC([H])([H])[H])C1=C3OC(=O)C2=C1C([H])([H])C([H])([H])C2=O
M01302,"Aflatoxin Q1",C17H12O7,0,0,0,C19585,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GYNOTJLCULOEIM-BYTGAFBZSA-N,"InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-14(9)12-7(18)4-8(19)13(12)16(20)24-15/h2-3,5-7,17-18H,4H2,1H3/t6?,7-,17?/m0/s1",[H]O[C@]1([H])C2=C(C(=O)C1([H])[H])C(=O)OC1=C2C(OC([H])([H])[H])=C([H])C2=C1C1([H])C([H])=C([H])OC1([H])O2
M01310,"Alkylamine",NH2R,0,0,0,C01664,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([H])[*]
M01317,"Alpha-Tubulin",C11H13N2O4R(C2H2NOR)n,0,0,0,C01392,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
M01318,"alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde",C17H16O8,0,348.307,348.0845175,C19592,53297447,82583,HMDB0062442,"",,,,NaN,"",,"",,,,,NaN,,,PRZJYJAOZVCBCB-UHFFFAOYSA-N,"InChI=1S/C17H16O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4-5,8,11,19,21-22H,2-3,6H2,1H3",[H]OC1=C(C2=C(C3=C(C(=O)C([H])([H])C3([H])[H])C(=O)O2)C(OC([H])([H])[H])=C1[H])C([H])(C([H])=O)C([H])(O[H])C([H])([H])O[H]
M01319,"alpha-[3-(Nitrosoamino)propyl]-3-pyridinemethanol",C9H13N3O2,0,195.222,195.1007767,C19581,53297442,82575,HMDB0062443,"",,,,NaN,"",,"",,,,,NaN,,,QCCXEQGBFPINIY-UHFFFAOYSA-N,"InChI=1S/C9H13N3O2/c13-9(4-2-6-11-12-14)8-3-1-5-10-7-8/h1,3,5,7,9,13H,2,4,6H2,(H,11,14)",[H]OC([H])(C1=C([H])N=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])N=O
M01320,"alpha-[3-[(Hydroxymethyl)nitrosoamino]propyl]-3-pyridinemethanol",C10H15N3O3,0,225.248,225.1113414,C19580,53297441,82574,HMDB0062444,"",,,,NaN,"",,"",,,,,NaN,,,UNFLQLWCJOTOPA-UHFFFAOYSA-N,"InChI=1S/C10H15N3O3/c14-8-13(12-16)6-2-4-10(15)9-3-1-5-11-7-9/h1,3,5,7,10,14-15H,2,4,6,8H2",[H]OC([H])([H])N(N=O)C([H])([H])C([H])([H])C([H])([H])C([H])(O[H])C1=C([H])N=C([H])C([H])=C1[H]
M01341,"Aniline",C6H7N,0,93.1265,93.05784923,C00292,6115,17296,HMDB0003012,"",,,FDB003571,5889,"34-DICHLOROANILINE",,"Aniline",DB06728,cpd00245,,,489,62-53-3,DTXSID8020090,PAYRUJLWNCNPSJ-UHFFFAOYSA-N,"InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2",[H]N([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
M01352,"ApoB48",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01358,"Apocytochrome-C",X,0,0,0,C02248,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]SC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*].[H]SC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M01360,"Diadenosine triphosphate",C20H24N10O16P3,-3,756.4071,756.0819344,C06197,14464643,27775,HMDB0001155,"",,,FDB022454,NaN,"ADENOSINE5TRIPHOSPHO5ADENOSINE",,"",,,,,NaN,56432-02-1,DTXSID20204987,QCICUPZZLIQAPA-XPWFQUROSA-N,"InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=NC2=C1N=C([H])N=C2N([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])O[H]
M01367,"Arsenite",AsO3,0,122.9198,122.9063403,C06697,544,29866,HMDB0011620,"",,,FDB028324,529,"CPD-763",,"arsenite",,,,,NaN,15502-74-6,DTXSID0074007,GCPXMJHSNVMWNM-UHFFFAOYSA-N,"InChI=1S/AsH3O3/c2-1(3)4/h2-4H",[H]O[As](O[H])O[H]
M01376,"Benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide",C20H14O3,0,302.3234,302.0942943,C14853,41322,30614,HMDB0062470,"",,,,NaN,"",,"",,,,,NaN,58917-67-2,DTXSID9036779,DQEPMTIXHXSFOR-UHFFFAOYSA-N,"InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H",[H]OC1([H])C2=C([H])C3=C([H])C([H])=C4C([H])=C([H])C([H])=C5C([H])=C([H])C(C3=C45)=C2C2([H])OC2([H])C1([H])O[H]
M01377,"Benzo[A]Pyrene-7,8-Diol",C20H14O2,0,284.3139954,284.0837296,C14852,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,57303-99-8,DTXSID50205927,YDXRLMMGARHIIC-UHFFFAOYSA-N,"InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H",[H]OC1([H])C([H])=C([H])C2=C3C([H])=C([H])C4=C([H])C([H])=C([H])C5=C([H])C([H])=C(C([H])=C2C1([H])O[H])C3=C45
M01378,"Benzo[A]Pyrene-7,8-Oxide",C20H12O,0,0,0,C14850,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OLLMQFHYRYHKTD-UHFFFAOYSA-N,"InChI=1S/C20H12O/c1-2-11-4-5-13-10-16-14(8-9-17-20(16)21-17)15-7-6-12(3-1)18(11)19(13)15/h1-10,17,20H",[H]C1=C([H])C2=C([H])C([H])=C3C([H])=C4C(C([H])=C([H])C5([H])OC45[H])=C4C([H])=C([H])C(=C1[H])C2=C34
M01388,"Beta-D-Glucose",C6H12O6,0,180.1559,180.0633881,C00221,64689,15903,HMDB0000516,"beta-D-glucose",,,FDB011824,58238,"",,"",,,,,3755,492-61-5,DTXSID70883403,WQZGKKKJIJFFOK-VFUOTHLCSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M01389,"Beta-D-Glucose-6-Phosphate",C6H11O9P,-2,0,0,C01172,NaN,17719,,"beta-D-glucose 6-phosphate",,M01389,,NaN,"",,"",,,,,58158,,,NBSCHQHZLSJFNQ-VFUOTHLCSA-N,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1",[H]O[C@]1([H])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
M01403,"Bromobenzene",C6H5Br,0,157.0099945,155.957463,C11036,NaN,3179,,"",,,,NaN,"",,"",,,,,NaN,108-86-1,DTXSID5024637,QARVLSVVCXYDNA-UHFFFAOYSA-N,"InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H",[H]C1=C([H])C([H])=C(Br)C([H])=C1[H]
M01404,"Bromobenzene-2,3-Dihydrodiol",C6H7BrO2,0,0,0,C14842,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,KLPGXZKAVBGFGF-UHFFFAOYSA-N,"InChI=1S/C6H7BrO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H",[H]OC1([H])C([H])=C([H])C([H])=C(Br)C1([H])O[H]
M01405,"Bromobenzene-2,3-Oxide",C6H5BrO,0,0,0,C14840,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,RLBVUCNBWFGERE-UHFFFAOYSA-N,"InChI=1S/C6H5BrO/c7-4-2-1-3-5-6(4)8-5/h1-3,5-6H",[H]C1=C([H])C2([H])OC2([H])C(Br)=C1[H]
M01406,"Bromobenzene-3,4-Dihydrodiol",C6H7BrO2,0,0,0,C14844,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MWJZOLXUCNEWFL-UHFFFAOYSA-N,"InChI=1S/C6H7BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,5-6,8-9H",[H]OC1([H])C([H])=C([H])C(Br)=C([H])C1([H])O[H]
M01407,"Bromobenzene-3,4-Oxide",C6H5BrO,0,0,0,C14839,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,FVTNDWDQRAAPCD-UHFFFAOYSA-N,"InChI=1S/C6H5BrO/c7-4-1-2-5-6(3-4)8-5/h1-3,5-6H",[H]C1=C([H])C2([H])OC2([H])C([H])=C1Br
M01408,"Bufotenin",C12H16N2O,0,204.2682,204.1262631,C08299,10257,3210,HMDB0041842,"bufotenin",,,,9839,"",,"bufotenin",DB01445,,,C00001402,NaN,487-93-4,DTXSID0048894,VTTONGPRPXSUTJ-UHFFFAOYSA-N,"InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3",[H]OC1=C([H])C2=C(N([H])C([H])=C2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C([H])=C1[H]
M01429,"CDP-glycerol",C12H19N3O13P2,-2,477.255,477.0549608,C00513,439249,17885,HMDB0059599,"",,,,388385,"",,"",,,,,NaN,,,HHPOUCCVONEPRK-JANFQQFMSA-N,"InChI=1S/C12H21N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H2,13,14,20)/t6?,7-,9-,10-,11-/m1/s1",[H]OC([H])([H])C([H])(O[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C([H])C(=NC2=O)N([H])[H])[C@]([H])(O[H])[C@]1([H])O[H]
M01436,"Chitin",X,0,683.6992,683.3112825,C00461,21252321,17029,HMDB0003362,"",,,FDB023154,399508,"14-N-ACETYL-BETA-D-GLUCOSAMINYLN1",,"Chitin",,,,,6903,1398-61-4,DTXSID6037641,DJHJJVWPFGHIPH-OODMECLYSA-N,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(-*)[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O-*
M01437,"Chitin",C24H41N3O16,0,0,0,C00461,NaN,17029,,"",,,,NaN,"",,"",,,,,NaN,,,WZZVUHWLNMNWLW-VFCSDQTKSA-N,"InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M01440,"Chloral hydrate",C2H3Cl3O2,0,165.403,163.9198625,D00265,NaN,28142,HMDB0060451,"",,,,2606,"CPD0-1476",,"Chloral hydrate",DB01563,,,,NaN,302-17-0,DTXSID7020261,RNFNDJAIBTYOQL-UHFFFAOYSA-N,"InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H",[H]OC([H])(O[H])C(Cl)(Cl)Cl
M01441,"Chloral",C2HCl3O,0,147.3800049,145.9092978,C14866,NaN,48814,,"",,,,NaN,"",,"",,,,,NaN,75-87-6,DTXSID7024744,HFFLGKNGCAIQMO-UHFFFAOYSA-N,"InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H",[H]C(=O)C(Cl)(Cl)Cl
M01443,"Chloroacetic acid",C2H2ClO2,-1,94.497,93.98215705,C06755,300,27869,HMDB0031331,"",,,FDB003394,10772140,"",,"Chloroacetic_acid",,,,,NaN,79-11-8,DTXSID4020901,FOCAUTSVDIKZOP-UHFFFAOYSA-N,"InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)",[H]OC(=O)C([H])([H])Cl
M01444,"Chloroacetyl chloride",C2H2Cl2O,0,112.943,111.9482701,,NaN,NaN,HMDB0060452,"",,,,NaN,"",,"Chloroacetyl chloride",,,,,NaN,,DTXSID4026472,VGCXGMAHQTYDJK-UHFFFAOYSA-N,"InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2",[H]C([H])(Cl)C(Cl)=O
M01452,"Cholesterol-Ester-10,13,16,19-Docosa",C49H80O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01453,"Cholesterol-Ester-10,13,16-Docosa",C49H82O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01454,"Cholest-5-En-3B-Yl (9Z-Heptadecenoate)",C44H76O2,0,0,0,,NaN,NaN,,"",,M01454,,NaN,"",,"",,,,,NaN,,,RLMIGWIAENJHMP-QCDKZCCBSA-N,"InChI=1S/C44H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-34(2)3)44(40,6)32-30-41(38)43/h13-14,25,34-35,37-41H,7-12,15-24,26-33H2,1-6H3/b14-13-/t35-,37+,38?,39?,40?,41?,43+,44-/m0/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01455,"Cholesterol-Ester-11,14,17-Eico",C47H78O2,0,0,0,,NaN,NaN,,"",,M01455,,NaN,"",,"",,,,,NaN,,,,"",
M01456,"Cholest-5-En-3Beta-Yl (11Z,14Z-Eicosadienoate)",C47H80O2,0,0,0,,NaN,NaN,,"",,M01456,,NaN,"",,"",,,,,NaN,,,REFJKOQDWJELKE-KAARQWTISA-N,"InChI=1S/C47H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,28,37-38,40-44H,7-10,13,16-27,29-36H2,1-6H3/b12-11-,15-14-/t38-,40+,41?,42?,43?,44?,46+,47-/m0/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
M01457,"Cholesterol-Ester-11-Docose",C49H86O2,0,0,0,,NaN,NaN,,"",,M01457,,NaN,"",,"",,,,,NaN,,,,"",
M01458,"Cholest-5-En-3Beta-Yl (11Z-Eicosenoate)",C47H82O2,0,0,0,,NaN,NaN,,"",,M01458,,NaN,"",,"",,,,,NaN,,,OWTYWMJVQZQWFH-XRXACULUSA-N,"InChI=1S/C47H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h14-15,28,37-38,40-44H,7-13,16-27,29-36H2,1-6H3/b15-14-/t38-,40+,41?,42?,43?,44?,46+,47-/m0/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01459,"Cholesterol-Ester-12,15,18,21-Tetracosa",C51H84O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01460,"Cholesterol-Ester-13,16,19-Doco",C49H82O2,0,0,0,,NaN,NaN,,"",,M01460,,NaN,"",,"",,,,,NaN,,,,"",
M01461,"Cholest-5-En-3Beta-Yl (13Z,16Z-Docosadienoate)",C49H84O2,0,0,0,,NaN,NaN,,"",,M01461,,NaN,"",,"",,,,,NaN,,,YSGVSTJGBYXXIM-OADMCVHHSA-N,"InChI=1S/C49H84O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h11-12,14-15,30,39-40,42-46H,7-10,13,16-29,31-38H2,1-6H3/b12-11-,15-14-/t40-,42+,43?,44?,45?,46?,48+,49-/m0/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
M01462,"Cholest-5-En-3B-Yl (13Z-Docosenoate)",C49H86O2,0,0,0,,NaN,NaN,,"",,M01462,,NaN,"",,"",,,,,NaN,,,SQHUGNAFKZZXOT-SYVNVMAFSA-N,"InChI=1S/C49H86O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h14-15,30,39-40,42-46H,7-13,16-29,31-38H2,1-6H3/b15-14-/t40-,42+,43?,44?,45?,46?,48+,49-/m0/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01463,"Cholesterol-Ester-13-Eicose",C47H82O2,0,0,0,,NaN,NaN,,"",,M01463,,NaN,"",,"",,,,,NaN,,,,"",
M01464,"Cholesterol-Ester-13-Octade",C45H78O2,0,0,0,,NaN,NaN,,"",,M01464,,NaN,"",,"",,,,,NaN,,,,"",
M01465,"Cholest-5-En-3Beta-Yl (15Z-Tetracosenoate)",C51H90O2,0,0,0,,NaN,NaN,,"",,M01465,,NaN,"",,"",,,,,NaN,,,XLEGDTNGSMQNCH-KOBNUYNVSA-N,"InChI=1S/C51H90O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31-49(52)53-44-36-38-50(5)43(40-44)32-33-45-47-35-34-46(42(4)30-28-29-41(2)3)51(47,6)39-37-48(45)50/h24-25,32,41-42,44-48H,7-23,26-31,33-40H2,1-6H3/b25-24-/t42-,44+,45?,46?,47?,48?,50+,51-/m0/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
M01466,"Cholest-5-En-3Beta-Yl (4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoate)",C49H76O2,0,0,0,,NaN,NaN,,"",,M01466,,NaN,"",,"",,,,,NaN,,,VOEVEGPMRIYYKC-NDAJWKLDSA-N,"InChI=1S/C49H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7,10,13,16,19,22,25-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t40-,42+,43?,44?,45?,46?,48+,49-/m0/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
M01467,"Cholesterol-Ester-4,7,10,13,16-Docosa",C49H78O2,0,0,0,,NaN,NaN,,"",,M01467,,NaN,"",,"",,,,,NaN,,,,"",
M01468,"Cholest-5-En-3Beta-Yl (5Z,8Z,11Z,14Z,17Z-Eicosapentaenoate)",C47H74O2,0,0,0,,NaN,NaN,,"",,M01468,,NaN,"",,"",,,,,NaN,,,XZFUGMCJZFRBKF-IPAAXNRLSA-N,"InChI=1S/C47H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h8-9,11-12,14-15,17-18,20-21,28,37-38,40-44H,7,10,13,16,19,22-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-,18-17?,21-20-/t38-,40+,41?,42?,43?,44?,46+,47-/m0/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
M01469,"Cholesterol-Ester-5,8,11-Eico",C47H78O2,0,0,0,,NaN,NaN,,"",,M01469,,NaN,"",,"",,,,,NaN,,,,"",
M01470,"Cholesterol-Ester-5-Tetra",C41H70O2,0,0,0,,NaN,NaN,,"",,M01470,,NaN,"",,"",,,,,NaN,,,,"",
M01471,"Cholesterol-Ester-6,9,12,15,18,21-Tetra",C51H80O2,0,0,0,,NaN,NaN,,"",,M01471,,NaN,"",,"",,,,,NaN,,,,"",
M01472,"Cholesterol-Ester-6,9,12,15,18-Tetraco",C51H82O2,0,0,0,,NaN,NaN,,"",,M01472,,NaN,"",,"",,,,,NaN,,,,"",
M01473,"Cholesterol-Ester-6,9,12,15-Octa",C45H72O2,0,0,0,,NaN,NaN,,"",,M01473,,NaN,"",,"",,,,,NaN,,,,"",
M01474,"Cholesterol-Ester-6,9-Octa",C45H76O2,0,0,0,,NaN,NaN,,"",,M01474,,NaN,"",,"",,,,,NaN,,,,"",
M01475,"Cholest-5-En-3Beta-Yl (7Z,10Z,13Z,16Z,19Z-Docosapentaenoate)",C49H78O2,0,0,0,,NaN,NaN,,"",,M01475,,NaN,"",,"",,,,,NaN,,,XOLZNHXNFMEUGA-HJTXNHSISA-N,"InChI=1S/C49H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,30,39-40,42-46H,7,10,13,16,19,22-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t40-,42+,43?,44?,45?,46?,48+,49-/m0/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
M01476,"Cholest-5-En-3Beta-Yl (7Z,10Z,13Z,16Z-Docosatetraenoate)",C49H80O2,0,0,0,,NaN,NaN,,"",,M01476,,NaN,"",,"",,,,,NaN,,,ITGTXSFLBABXQA-POXSIMSXSA-N,"InChI=1S/C49H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h11-12,14-15,17-18,20-21,30,39-40,42-46H,7-10,13,16,19,22-29,31-38H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t40-,42+,43?,44?,45?,46?,48+,49-/m0/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
M01477,"Cholesterol-Ester-7-Hexa",C43H74O2,0,0,0,,NaN,NaN,,"",,M01477,,NaN,"",,"",,,,,NaN,,,,"",
M01478,"Cholesterol-Ester-7-Octade",C45H78O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01479,"Cholesterol-Ester-7-Tetrade",C41H70O2,0,0,0,,NaN,NaN,,"",,M01479,,NaN,"",,"",,,,,NaN,,,,"",
M01480,"Cholesterol-Ester-8,11,14,17-Eico",C47H76O2,0,0,0,,NaN,NaN,,"",,M01480,,NaN,"",,"",,,,,NaN,,,,"",
M01481,"Cholesterol-Ester-8,11-Eico",C47H80O2,0,0,0,,NaN,NaN,,"",,M01481,,NaN,"",,"",,,,,NaN,,,,"",
M01482,"Cholesterol-Ester-9,12,15,18,21-Tetra",C51H82O2,0,0,0,,NaN,NaN,,"",,M01482,,NaN,"",,"",,,,,NaN,,,,"",
M01483,"Cholesterol-Ester-9,12,15,18-Tetraco",C51H84O2,0,0,0,,NaN,NaN,,"",,M01483,,NaN,"",,"",,,,,NaN,,,,"",
M01484,"Cholesterol-Ester-9-Eicose",C47H82O2,0,0,0,,NaN,NaN,,"",,M01484,,NaN,"",,"",,,,,NaN,,,,"",
M01485,"Cholesterol-Ester-9-Heptade",C44H76O2,0,0,0,,NaN,NaN,,"",,M01485,,NaN,"",,"",,,,,NaN,,,,"",
M01486,"Cholesterol-Ester-9-Octa",C45H78O2,0,0,0,,NaN,NaN,,"",,M01486,,NaN,"",,"",,,,,NaN,,,,"",
M01487,"Cholest-5-En-3B-Yl (9Z-Tetradecenoate)",C41H70O2,0,0,0,,NaN,NaN,,"",,M01487,,NaN,"",,"",,,,,NaN,,,LAMGDJMPDNVWTB-IDCLFADGSA-N,"InChI=1S/C41H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h10-11,22,31-32,34-38H,7-9,12-21,23-30H2,1-6H3/b11-10-/t32-,34+,35?,36?,37?,38?,40+,41-/m0/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01489,"Cholesterol-Ester-Cis-Vac",C45H78O2,0,0,0,,NaN,NaN,,"",,M01489,,NaN,"",,"",,,,,NaN,,,,"",
M01490,"Cholest-5-En-3Beta-Yl (8Z,11Z,14Z-Eicosatrienoate)",C47H78O2,0,0,0,,NaN,NaN,,"",,M01490,,NaN,"",,"",,,,,NaN,,,MLPRJPSMAFZPLA-JNFNQHOJSA-N,"InChI=1S/C47H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,28,37-38,40-44H,7-10,13,16,19-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-/t38-,40+,41?,42?,43?,44?,46+,47-/m0/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01491,"Cholest-5-En-3Beta-Yl Docosanoate",C49H88O2,0,709.2410278,708.6784321,,NaN,NaN,,"",,M01491,,NaN,"",,"",,,,,NaN,61510-09-6,DTXSID20210508,WBOQXYUYHINMOC-PLTNPMELSA-N,"InChI=1S/C49H88O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h30,39-40,42-46H,7-29,31-38H2,1-6H3/t40-,42+,43?,44?,45?,46?,48+,49-/m0/s1",[H]C1=C2C([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3([H])C2([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
M01492,"Cholest-5-En-3Beta-Yl Eicosanoate",C47H84O2,0,0,0,,NaN,NaN,,"",,M01492,,NaN,"",,"",,,,,NaN,,,SUOVMGLZSOAHJY-JIJPKQANSA-N,"InChI=1S/C47H84O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h28,37-38,40-44H,7-27,29-36H2,1-6H3/t38-,40+,41?,42?,43?,44?,46+,47-/m0/s1",[H]C1=C2C([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3([H])C2([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
M01494,"Cholesterol-Ester-Heneico",C48H86O2,0,0,0,,NaN,NaN,,"",,M01494,,NaN,"",,"",,,,,NaN,,,,"",
M01495,"Cholest-5-En-3B-Yl (Heptadecanoate)",C44H78O2,0,0,0,,NaN,NaN,,"",,M01495,,NaN,"",,"",,,,,NaN,,,PPQNZVDOBYGOLY-IDEYQIFESA-N,"InChI=1S/C44H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-42(45)46-37-29-31-43(5)36(33-37)25-26-38-40-28-27-39(35(4)23-21-22-34(2)3)44(40,6)32-30-41(38)43/h25,34-35,37-41H,7-24,26-33H2,1-6H3/t35-,37+,38?,39?,40?,41?,43+,44-/m0/s1",[H]C1=C2C([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3([H])C2([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
M01496,"Cholesterol-Ester-Hexacosa",C53H96O2,0,0,0,,NaN,NaN,,"",,M01496,,NaN,"",,"",,,,,NaN,,,,"",
M01497,"Cholesterol-Ester-Hexecose",C53H94O2,0,0,0,,NaN,NaN,,"",,M01497,,NaN,"",,"",,,,,NaN,,,,"",
M01498,"Cholest-5-En-3Beta-Yl Dodecanoate",C39H68O2,0,0,0,,NaN,NaN,,"",,M01498,,NaN,"",,"",,,,,NaN,,,RMLFYKFCGMSLTB-QLDQVJAASA-N,"InChI=1S/C39H68O2/c1-7-8-9-10-11-12-13-14-15-19-37(40)41-32-24-26-38(5)31(28-32)20-21-33-35-23-22-34(30(4)18-16-17-29(2)3)39(35,6)27-25-36(33)38/h20,29-30,32-36H,7-19,21-28H2,1-6H3/t30-,32+,33?,34?,35?,36?,38+,39-/m0/s1",[H]C1=C2C([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3([H])C2([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
M01501,"Cholest-5-En-3Beta-Yl Tetradecanoate",C41H72O2,0,0,0,,NaN,NaN,,"",,M01501,,NaN,"",,"",,,,,NaN,,,SJDMTGSQPOFVLR-GPMIBHMRSA-N,"InChI=1S/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3/t32-,34+,35?,36?,37?,38?,40+,41-/m0/s1",[H]C1=C2C([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3([H])C2([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
M01502,"Cholest-5-En-3Beta-Yl Nonadecanoate",C46H82O2,0,0,0,,NaN,NaN,,"",,M01502,,NaN,"",,"",,,,,NaN,,,VHYWECIJXTVRSG-ULEWGYFJSA-N,"InChI=1S/C46H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-44(47)48-39-31-33-45(5)38(35-39)27-28-40-42-30-29-41(37(4)25-23-24-36(2)3)46(42,6)34-32-43(40)45/h27,36-37,39-43H,7-26,28-35H2,1-6H3/t37-,39+,40?,41?,42?,43?,45+,46-/m0/s1",[H]C1=C2C([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3([H])C2([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
M01506,"Cholest-5-En-3B-Yl (Pentadecanoate)",C42H74O2,0,0,0,,NaN,NaN,,"",,M01506,,NaN,"",,"",,,,,NaN,,,BDBPUUADYAQHAV-KVPIZGMFSA-N,"InChI=1S/C42H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-40(43)44-35-27-29-41(5)34(31-35)23-24-36-38-26-25-37(33(4)21-19-20-32(2)3)42(38,6)30-28-39(36)41/h23,32-33,35-39H,7-22,24-31H2,1-6H3/t33-,35+,36?,37?,38?,39?,41+,42-/m0/s1",[H]C1=C2C([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3([H])C2([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
M01508,"Cholesterol-Ester-Tetraco",C51H92O2,0,0,0,,NaN,NaN,,"",,M01508,,NaN,"",,"",,,,,NaN,,,,"",
M01509,"Cholesterol-Ester-Trico",C50H90O2,0,0,0,,NaN,NaN,,"",,M01509,,NaN,"",,"",,,,,NaN,,,,"",
M01510,"Cholesterol-Ester-Tridec",C40H70O2,0,0,0,,NaN,NaN,,"",,M01510,,NaN,"",,"",,,,,NaN,,,,"",
M01511,"Cholesterol-ester-pool",C27H46O,0,386.6535,386.3548661,C00187,5997,16113,HMDB0062453,"",,,,5775,"",,"Cholesterol",,,,C00003648,NaN,57-88-5,DTXSID3022401,HVYWMOMLDIMFJA-DPAQBDIFSA-N,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
M01569,"Chylomicron-Remnant",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01570,"Chylomicron",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01571,"Cimetidine",C10H16N6S,0,252.339,252.1157152,C06952,2756,3699,HMDB0014644,"",,,,2654,"",,"Cimetidine",DB00501,,,,NaN,51481-61-9,DTXSID4020329,AQIXAKUUQRKLND-UHFFFAOYSA-N,"InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)",[H]N(\C(=N/C#N)N([H])C([H])([H])C([H])([H])SC([H])([H])C1=C(N([H])C([H])=N1)C([H])([H])[H])C([H])([H])[H]
M01572,"Cinnavalininate",C14H6N2O6,-2,300.2231,300.038236,C05640,114918,NaN,HMDB0004078,"",,,FDB023302,102864,"",,"",,,,,NaN,,,FSBKJYLVDRVPTK-UHFFFAOYSA-N,"InChI=1S/C14H8N2O6/c15-10-6(17)4-8-12(9(10)14(20)21)16-11-5(13(18)19)2-1-3-7(11)22-8/h1-4H,15H2,(H,18,19)(H,20,21)",[H]OC(=O)C1=C2N=C3C(OC2=C([H])C([H])=C1[H])=C([H])C(=O)C(N([H])[H])=C3C(=O)O[H]
M01573,"Cis-(3S)-Hydroxytetradec-5-Enoyl Coenzyme A",C35H56N7O18P3S,-4,0,0,,NaN,NaN,,"",,M01573,,NaN,"",,"",,,,,NaN,,,KJJPUIFALMAQPF-SUAKZGBESA-N,"InChI=1S/C35H60N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h11-12,21-24,28-30,34,43,46-47H,4-10,13-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/b12-11-/t23-,24+,28+,29+,30-,34+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])[C@@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M01582,"Cetoleic acid",C22H41O2,-1,338.5677,338.3184806,,5282771,32428,HMDB0002884,"",,M01582,FDB003005,4445898,"",,"",,,,,261,1002-96-6,,KJDZDTDNIULJBE-QXMHVHEDSA-N,"InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01602,"Cofactors And Vitamins",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01618,"Cyclic pyranopterin monophosphate",C10H13N5O8P,-1,363.2206,363.057999,C18239,16061579,60210,HMDB0059639,"",,,,17221217,"",,"Cyclic pyranopterin monophosphate",,,,,NaN,,,CZAKJJUNKNPTTO-UHFFFAOYSA-N,"InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)",[H]OC1(O[H])C2([H])OP(=O)(O[H])OC([H])([H])C2([H])OC2([H])N([H])C3=C(N([H])C12[H])C(=O)N([H])C(=N3)N([H])[H]
M01631,"Cytochrome-C",C42H44FeN8O8S2R4,0,0,0,C00524,NaN,18070,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)C([H])([H])C([H])([H])C1=C(\C2=C([H])\C3=C(C(=C4\C([H])=C5/N=C(/C(/[H])=C6\N([Fe]N34)\C(=C([H])/C1=N2)C(=C6C([H])([H])[H])C([H])([H])C([H])([H])C(=O)O[H])C(=C5C([H])([H])[H])C([H])(SC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*])C([H])([H])[H])C([H])(SC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
M01676,"Detyrosinated-Alpha-Tubulin",C2H4NO2R(C2H2NOR)n,0,0,0,C05234,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])[H]
M01677,"Dextrin",X,0,504.4371,504.169035,C00721,62698,NaN,HMDB0006857,"",,,FDB012148,56445,"",,"",,,,,NaN,9004-53-9,DTXSID20891750,FYGDTMLNYKFZSV-MRCIVHHJSA-N,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O-*)O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])-*
M01678,"Dextrin",C18H32O16,0,0,0,C00721,NaN,NaN,,"",,,,NaN,"",,"",,,,,58569,9004-53-9,DTXSID20891750,FYGDTMLNYKFZSV-MRCIVHHJSA-N,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17?,18?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M01691,"Dichloroacetate",C2H1Cl2O2,-1,127.93,126.9359083,C11149,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,13425-80-4,DTXSID40158610,JXTHNDFMNIQAHM-UHFFFAOYSA-N,"InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)",[H]OC(=O)C([H])(Cl)Cl
M01692,"Dichloroacetyl Chloride",C2HCl3O,0,147.3800049,145.9092978,C14867,NaN,34688,,"",,,,NaN,"",,"",,,,,NaN,79-36-7,DTXSID6024965,FBCCMZVIWNDFMO-UHFFFAOYSA-N,"InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H",[H]C(Cl)(Cl)C(Cl)=O
M01710,"Diphospho-Myo-Inositol-Polyphosphate",X,0,0,0,C11524,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01719,"Dna-Containing-6-O-Methylguanine",C11H16N5O7P(C5H8O5PR)n(C5H8O5PR)n,0,0,0,C04250,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])C([H])([H])[C@]([H])([*])O[C@]1([H])C([H])([H])OP(=O)(O[H])O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP(=O)(O[H])O[C@@]1([H])C([H])([H])[C@]([H])([*])O[C@]1([H])C([H])([H])OP(=O)(O[H])O[H])N1C([H])=NC2=C1N=C(N=C2OC([H])([H])[H])N([H])[H]
M01720,"Dna-Containing-Guanine",C10H14N5O7P(C5H8O5PR)n(C5H8O5PR)n,0,0,0,C11475,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])C([H])([H])[C@]([H])([*])O[C@]1([H])C([H])([H])OP(=O)(O[H])O[C@@]1([H])C([H])([H])[C@@]([H])(O[C@]1([H])C([H])([H])OP(=O)(O[H])O[C@@]1([H])C([H])([H])[C@]([H])([*])O[C@]1([H])C([H])([H])OP(=O)(O[H])O[H])N1C([H])=NC2=C1N=C(N([H])[H])N([H])C2=O
M01724,"Docosanoylcarnitine",C29H57NO4,0,0,0,,NaN,NaN,,"",,M01724,,NaN,"",,"",,,,,NaN,,,IUMXSSOVGPXXJL-UHFFFAOYSA-N,"InChI=1S/C29H57NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h27H,5-26H2,1-4H3",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M01726,"Docosenoylcarnitine(11)",C29H55NO4,0,0,0,,NaN,NaN,,"",,M01726,,NaN,"",,"",,,,,NaN,,,NLQWXKWLWHLPMC-PFONDFGASA-N,"InChI=1S/C29H55NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h14-15,27H,5-13,16-26H2,1-4H3/b15-14-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M01727,"Docosenoylcarnitine",C29H55NO4,0,0,0,,NaN,NaN,,"",,M01727,,NaN,"",,"",,,,,NaN,,,WDWXOVLPQSTGNY-SEYXRHQNSA-N,"InChI=1S/C29H55NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h12-13,27H,5-11,14-26H2,1-4H3/b13-12-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01729,"Dodecanoylcarnitine",C19H37NO4,0,343.5014,343.2722587,,168381,77086,HMDB0002250,"",,M01729,FDB022928,147288,"",,"",,,,,6573,25518-54-1,,FUJLYHJROOYKRA-QGZVFWFLSA-N,"InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M01750,"dTDP-D-galactose",C16H24N2O16P2,-2,564.329,564.0757558,C02097,439651,14086,HMDB0006876,"",,,FDB024130,388722,"",,"",,,,,NaN,5817-97-0,DTXSID20411977,YSYKRGRSMLTJNL-OAOVJFGZSA-N,"InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11-,12-,13+,15+/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C(C(=O)N([H])C3=O)C([H])([H])[H])C([H])([H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
M01757,"D-Xylono-1,5-lactone",C5H8O5,0,148.114,148.0371734,C02266,439692,15867,HMDB0011676,"",,,FDB028364,388758,"D-XYLONO-14-LACTONE",,"",,,,,NaN,,,XXBSUZSONOQQGK-FLRLBIABSA-N,"InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1",[H]O[C@@]1([H])C(=O)OC([H])([H])[C@@]([H])(O[H])[C@]1([H])O[H]
M01770,"11Z,14Z-Eicosadienoylcarnitine",C27H49NO4,0,0,0,,NaN,NaN,,"",,M01770,,NaN,"",,"",,,,,NaN,,,OLZWDVKTOGTVLC-UTJQPWESSA-N,"InChI=1S/C27H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h9-10,12-13,25H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M01775,"Eicosenoylcarnitine(11)",C27H51NO4,0,0,0,,NaN,NaN,,"",,M01775,,NaN,"",,"",,,,,NaN,,,PVOQPLSKYNZHOT-SEYXRHQNSA-N,"InChI=1S/C27H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h12-13,25H,5-11,14-24H2,1-4H3/b13-12-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M01776,"Eicosenoylcarnitine(7)",C27H51NO4,0,0,0,,NaN,NaN,,"",,M01776,,NaN,"",,"",,,,,NaN,,,PPKLJJUNSDETFW-MSUUIHNZSA-N,"InChI=1S/C27H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h16-17,25H,5-15,18-24H2,1-4H3/b17-16-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M01777,"Eicosenoylcarnitine(9)",C27H51NO4,0,0,0,,NaN,NaN,,"",,M01777,,NaN,"",,"",,,,,NaN,,,JBEFEJXBJYXSLO-PFONDFGASA-N,"InChI=1S/C27H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h14-15,25H,5-13,16-24H2,1-4H3/b15-14-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M01805,"Farnesylcysteine",C18H31NO2S,0,325.509,325.2075499,C19691,6438372,62141,HMDB0011627,"",,,FDB028328,4942854,"",,"",,,,,NaN,68000-92-0,,SYSLNQMKLROGCL-BCYUYYMPSA-N,"InChI=1S/C18H31NO2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-13-17(19)18(20)21/h7,9,11,17H,5-6,8,10,12-13,19H2,1-4H3,(H,20,21)/b15-9+,16-11+/t17-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])SC([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
M01807,"Fatty-Acid-Chylomicron-Pool",CHO2R,0,0,0,,NaN,NaN,,"",,M01807,,NaN,"",,"",,,,,NaN,,,,"",
M01816,"Fatty-Acid-Ligands that activate PPAR-Alpha",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01819,"Fatty-Acid-Uptake-Pool",CHO2R,0,0,0,C00162,NaN,35366,,"fatty acid;fatty acids",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([*])=O
M01820,"Fatty-Acid-VLDL-Pool",CHO2R,0,0,0,C00162,NaN,35366,,"fatty acid;fatty acids",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([*])=O
M01838,"Formyl-L-Methionyl-Peptide",C12H17N4O6SR3,0,0,0,C11439,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])C(=O)C([H])(N([H])C([H])=O)C([H])([H])C([H])([H])SC([H])([H])[H]
M01849,"IV3-a-Neu5Ac,III4-a-Fuc-Lc4Cer ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)1 (Neu5Ac)1 (Cer)1)",X,0,0,0,G00048,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01860,"Lea glycolipid ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1)",C50H89N2O26FULLRCO,0,0,0,G00046,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01864,"G(5')Pppr-Rna",C20H31N5O23P4R2(C5H8O6PR)n,0,0,0,C02031,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C3N=C(N([H])[H])N([H])C4=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H]
M01865,"(GlcNAc)2 (Man)3 (PP-Dol)1",X,0,0,0,G00005,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01867,"(GlcNAc)2 (Man)9 (PP-Dol)1",X,0,0,0,G00007,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01869,"(GlcNAc)6 (Man)3 (Asn)1",C82H135N8O55,0,0,0,G00021,NaN,NaN,,"",,M01869,,NaN,"",,"",,,,,NaN,,,,"",
M01870,"(GlcNAc)7 (Man)3 (Asn)1",C90H148N9O60,0,0,0,G00022,NaN,NaN,,"",,M01870,,NaN,"",,"",,,,,NaN,,,,"",
M01871,"(GalNAc)1 (GlcNAc)1 (Ser/Thr)1",X,0,0,0,G00031,NaN,NaN,,"",,M01871,,NaN,"",,"",,,,,NaN,,,,"",
M01872,"(Gal)1 (GalNAc)1 (GlcNAc)1 (Ser/Thr)1",X,0,0,0,G00032,NaN,NaN,,"",,M01872,,NaN,"",,"",,,,,NaN,,,,"",
M01881,"(Gal)4 (Glc)1 (GlcNAc)3 (LFuc)2 (Cer)1",X,0,0,0,G00079,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01886,"(Gal)4 (Glc)1 (GlcNAc)3 (LFuc)2 (Cer)1",X,0,0,0,G00085,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01895,"(GlcNAc)2 (Man)4 (PP-Dol)1",X,0,0,0,G10526,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01896,"(GlcNAc)2 (Man)6 (PP-Dol)1",X,0,0,0,G10595,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01897,"(GlcNAc)2 (Man)7 (PP-Dol)1",X,0,0,0,G10596,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01898,"(GlcNAc)2 (Man)8 (PP-Dol)1",X,0,0,0,G10597,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01929,"4-Hydroxy-4-(3-pyridyl)-butanoic acid",C9H10NO3,-1,181.1885,181.0738932,C19579,438,NaN,HMDB0001119,"",,,FDB022433,425,"CPD-3193",,"",,,,,6015,15569-97-8,,STZOZPPVGWNSMC-UHFFFAOYSA-N,"InChI=1S/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)",[H]OC(=O)C([H])([H])C([H])([H])C([H])(O[H])C1=C([H])N=C([H])C([H])=C1[H]
M01938,"Gamma-Tocotrienol",C28H42O2,0,410.6319,410.3184806,C14155,5282349,33277,HMDB0012958,"",,,FDB001298,4445514,"",,"Gamma-Tocotrienol",,,,C00035101,NaN,14101-61-2,,OTXNTMVVOOBZCV-WAZJVIJMSA-N,"InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1",[H]OC1=C(C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2=C1[H])C([H])([H])[H])C([H])([H])[H]
M01957,"Globin",C57H88O2,0,0,0,C06258,NaN,5386,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01958,"Globo-H ((Gal)3 (GalNAc)1 (Glc)1 (LFuc)1 (Cer)1)",X,0,0,0,G00099,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M01966,"Alpha-D-Glucose 1,6-bisphosphate",C6H11O12P2,-3,340.1157,339.9960489,C01231,82400,18148,HMDB0003514,"",,M01966,FDB023185,74362,"ALPHA-GLUCOSE-16-BISPHOSPHATE",,"",,cpd00907,,,NaN,10139-18-1,,RWHOZGRAXYWRNX-QYESYBIKSA-K,"InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/p-3/t2-,3-,4+,5-,6-/m0/s1",[H]O[C@@]1([H])[C@@]([H])(OP(=O)(O[H])O[H])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M01978,"Glutathione episulfonium ion",C12H18N3O6S,-2,334.369,334.1072811,C14874,159079,NaN,HMDB0060479,"",,,,139917,"",,"",,,,,NaN,,,PWVNIRRYQGQWMG-YUMQZZPRSA-O,"InChI=1S/C12H19N3O6S/c13-7(12(20)21)1-2-9(16)15-8(6-22-3-4-22)11(19)14-5-10(17)18/h7-8H,1-6,13H2,(H3-,14,15,16,17,18,19,20,21)/p+1/t7-,8-/m0/s1",[H]OC(=O)C([H])([H])N=C(O[H])[C@@]([H])(N=C(O[H])C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])[S+]1C([H])([H])C1([H])[H]
M01989,"Deoxycholic acid glycine conjugate",C26H43NO5,0,449.6233,449.3141235,C05464,22833539,27471,HMDB0000631,"",,M01989,FDB022152,17215983,"",,"",,,,C00030411,5604,360-65-6,,WVULKSPCQVQLCU-CMWIOBKGSA-N,"InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16?,17-,18?,19?,20?,21?,22+,25+,26-/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])C([H])([H])C([H])([H])C4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H]
M01995,"Glycogenin-G8",C58H90N2O43R2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02002,"Glycoprotein-N-Acetyl-D-Glucosaminyl-Phospho-D-Mannose",C14H25NO14PR,0,0,0,C04755,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP(=O)(O[H])OC([H])([H])[C@@]2([H])O[C@]([H])(O[*])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M02003,"Glycoprotein-Phospho-D-Mannose",C6H12O9PR,0,0,0,C04010,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@]1([H])[C@@]([H])(O[*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M02005,"Glycylpeptide",C2H5NO2(C2H2NOR)n,0,0,0,C02038,NaN,16462,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@]([H])([*])N([H])C(=O)C([H])([H])N([H])[H]
M02006,"Glycyl-tRNA(Gly)",C12H20NO11PR2(C5H8O6PR)n,0,0,0,C02412,NaN,29156,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OC(=O)C([H])([H])N([H])[H]
M02012,"Gm2A",X,0,0,0,,NaN,NaN,,"",,M02012,,NaN,"",,"",,,,,NaN,,,,"",
M02013,"Gm2A:Gm2-Ganglioside",C50H86N3O26R,0,0,0,,NaN,NaN,,"",,M02013,,NaN,"",,"",,,,,NaN,,,,"",
M02017,"1-(1Z-Hexadecenyl)-Glycero-3-Phosphate",C19H37O6P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LBGSRVIXIVDRQM-BDEQVGPYSA-N,"InChI=1S/C19H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h15-16,19-20H,2-14,17-18H2,1H3,(H2,21,22,23)/b16-15-/t19-/m0/s1",[H]O[C@]([H])(C([H])([H])O\C([H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])O[H]
M02035,"Guanidine",CH5N3,0,59.0705,59.04834718,C17349,3520,42820,HMDB0001842,"",,,FDB005416,3400,"CPD-13517",,"Guanidine",DB00536,,,,6342,50-01-1,DTXSID0023117,ZRALSGWEFCBTJO-UHFFFAOYSA-N,"InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)",[H]N=C(N([H])[H])N([H])[H]
M02047,"HDL-Remnant (High-Density Lipoprotein)",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02048,"HDL (High-Density Lipoprotein)",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02050,"Hemoglobin",X,0,0,0,C01708,NaN,5656,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02051,"Heneicosanoylcarnitine",C28H55NO4,0,0,0,,NaN,NaN,,"",,M02051,,NaN,"",,"",,,,,NaN,,,DZUIUBMZQFPGGK-UHFFFAOYSA-N,"InChI=1S/C28H55NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(32)33-26(24-27(30)31)25-29(2,3)4/h26H,5-25H2,1-4H3",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M02052,"Heneicosanoyl Coenzyme A",C42H72N7O17P3S,-4,0,0,,NaN,NaN,,"",,M02052,,NaN,"",,"",,,,,NaN,,,XMBMBMSJLOFTBI-UHFFFAOYSA-J,"InChI=1S/C42H76N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(51)70-26-25-44-32(50)23-24-45-40(54)37(53)42(2,3)28-63-69(60,61)66-68(58,59)62-27-31-36(65-67(55,56)57)35(52)41(64-31)49-30-48-34-38(43)46-29-47-39(34)49/h29-31,35-37,41,52-53H,4-28H2,1-3H3,(H,44,50)(H,45,54)(H,58,59)(H,60,61)(H2,43,46,47)(H2,55,56,57)/p-4",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
M02053,"Heneicosanoic acid",C21H41O2,-1,326.557,326.3184806,,16898,39248,HMDB0002345,"",,M02053,FDB002742,16012,"",,"",,,,,4208,2363-71-5,DTXSID0021595,CKDDRHZIAZRDBW-UHFFFAOYSA-N,"InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M02098,"10-Hydroxy-11S,12S-Epoxy-5Z,8Z,14Z-Eicosatrienoic Acid",C20H31O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DWNBPRRXEVJMPO-OLCCVTJXSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6?,12-9-,14-11-/t17?,18-,20?/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])(O[H])C1([H])O[C@@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M02099,"Heptadecanoyl-ACP",C17H33OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02102,"Heptadecenoylcarnitine(7)",C24H45NO4,0,0,0,,NaN,NaN,,"",,M02102,,NaN,"",,"",,,,,NaN,,,FJSIIGPPYZJEHW-JOCHJYFZSA-N,"InChI=1S/C24H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-22(20-23(26)27)21-25(2,3)4/h13-14,22H,5-12,15-21H2,1-4H3/t22-/m1/s1",[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M02103,"Heptadecenoylcarnitine(8)",C24H45NO4,0,0,0,,NaN,NaN,,"",,M02103,,NaN,"",,"",,,,,NaN,,,PSUWSDKRQCJVRB-JOCHJYFZSA-N,"InChI=1S/C24H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-22(20-23(26)27)21-25(2,3)4/h12-13,22H,5-11,14-21H2,1-4H3/t22-/m1/s1",[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M02106,"Heptanoyl-ACP",C7H13OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02107,"Heptanoyl-CoA",C28H44N7O17P3S,-4,879.704,879.2040234,,53481563,37283,HMDB0012969,"",,M02107,FDB029227,NaN,"CPD-10054",,"",,,,,NaN,,,CHVYGJMBUXUTSX-SVHODSNWSA-N,"InChI=1S/C28H48N7O17P3S/c1-4-5-6-7-8-19(37)56-12-11-30-18(36)9-10-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-13-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23+,27-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M02108,"Heptanoic acid",C7H13O2,-1,130.1849,130.0993797,C17714,8094,45571,HMDB0000666,"",,M02108,FDB008051,7803,"",,"Heptanoic acid",DB02938,,,,5636,111-14-8,DTXSID2021600,MNWFXJYAOYHMED-UHFFFAOYSA-N,"InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M02111,"17Z-Hexacosenoylcarnitine",C33H63NO4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DRURVCJENMPVTE-SEYXRHQNSA-N,"InChI=1S/C33H63NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(37)38-31(34(2,3)4)29-30-32(35)36/h12-13,31H,5-11,14-30H2,1-4H3/b13-12-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([H])([H])C([O-])=O)[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M02112,"17Z-Hexacosenoyl Coenzyme A",C47H80N7O17P3S,-4,0,0,,NaN,NaN,,"",,M02112,,NaN,"",,"",,,,,NaN,,,JVXVVYLDZADSQX-UNLUTKPOSA-N,"InChI=1S/C47H84N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h11-12,34-36,40-42,46,57-58H,4-10,13-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/b12-11-/t36-,40-,41-,42+,46-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M02114,"1-Hexadecanol",C16H34O,0,242.4406,242.2609657,C00823,2682,16125,HMDB0003424,"",,,FDB003051,2581,"CPD-348",,"1-Hexadecanol",,,,,6927,36653-82-4,DTXSID4027991,BXWNKGSJHAJOGX-UHFFFAOYSA-N,"InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M02127,"Histone-L-Lysine",C7H13N3O2R2,0,0,0,C02415,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M02128,"Histone-N6-Acetyl-L-Lysine",C9H15N3O3R2,0,0,0,C01997,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([*])C(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H]
M02143,"Hydrobromic Acid",Br,-1,80.91200256,79.926163,C13645,260,47266,,"",,,,255,"",,"Hydrogen_bromide",,,,,NaN,10035-10-6,DTXSID0029713,CPELXLSAUQHCOX-UHFFFAOYSA-N,"InChI=1S/BrH/h1H",Br[H]
M02144,"Hydrochloric acid",HCl,0,36.461,35.97667774,C01327,313,17883,HMDB0002306,"",,,FDB016076,307,"",,"Hydrochloric acid",,,,C00050466,NaN,7647-01-0,DTXSID2020711,VEXZGXHMUGYJMC-UHFFFAOYSA-N,"InChI=1S/ClH/h1H",Cl[H]
M02146,"I(-)",I,-1,127.9124,127.9122935,C05590,24841,43451,HMDB0059634,"",,,,23224,"",,"",,,,,NaN,,DTXSID2044349,XMBWDFGMSWQBCA-UHFFFAOYSA-N,"InChI=1S/HI/h1H",I[H]
M02155,"Hyodesoxycholic Acid",C24H40O4,0,0,0,C15517,NaN,NaN,,"",,M02155,,NaN,"",,"",,,,,NaN,,,DGABKXLVXPYZII-STRLVTDASA-N,"InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16?,17?,18?,19?,20?,21+,23-,24-/m1/s1",[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])C([H])([H])[C@]([H])(O[H])C4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
M02162,"Ley glycolipid ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)2 (Cer)1)",X,0,0,0,G00056,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02163,"Lacto-N-fucopentaosyl III ceramide ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1)",X,0,0,0,G00060,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02186,"Lactoisooctaosylceramide ((Gal)4 (Glc)1 (GlcNAc)3 (Cer)1)",X,0,0,0,G00078,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02194,"Leb glycolipid ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)2 (Cer)1)",X,0,0,0,G00045,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02195,"Fuc-alpha1->2Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1-1'Cer",C50H89N2O26FULLRCO,0,0,0,C06131,NaN,28743,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])[C@]2([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
M02196,"Type IIH glycolipid ((Gal)2 (Glc)1 (GlcNAc)1 (LFuc)1 (Cer)1)",X,0,0,0,G00055,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02197,"N-Acetyl-D-galactosaminyl-N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide",C53H92N3O28R,0,0,0,C04925,NaN,NaN,,"",,M02197,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@@]([H])(O[C@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])[C@]2([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
M02335,"L-Alanyl-tRNA(Ala)",C13H22NO11PR2(C5H8O6PR)n,0,0,0,C00886,NaN,17732,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OC(=O)[C@@]([H])(N([H])[H])C([H])([H])[H]
M02339,"L-Arginyl-Protein",C8H16N5O3R(C2H2NOR)n,0,0,0,C16739,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H]
M02340,"L-Arginyl-tRNA(Arg)",C21H33N9O11PR(C5H8O6PR)n,0,0,0,C02163,NaN,18366,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])[C@]1([H])O[H]
M02341,"L-Asparaginyl-tRNA(Asn)",C14H23N2O12PR2(C5H8O6PR)n,0,0,0,C03402,NaN,29265,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[H]
M02342,"L-Aspartyl-tRNA(Asp)",C14H22NO13PR2(C5H8O6PR)n,0,0,0,C02984,NaN,29158,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)C([H])([H])[C@]([H])(N([H])[H])C(=O)O[C@]1([H])[C@]([H])(O[C@@]([H])([*])[C@]1([H])O[H])C([H])([H])OP(=O)(O[H])O[C@]1([H])[C@]([H])(O[C@@]([H])([*])[C@]1([H])O[H])C([H])([H])OP(=O)(O[H])O[C@]1([H])[C@]([H])(O[C@@]([H])([*])[C@]1([H])O[H])C([H])([H])O[H]
M02351,"L-Cysteinyl-tRNA(Cys)",C18H26N6O11PSR(C5H8O6PR)n,0,0,0,C03125,NaN,29152,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])[H])C([H])([H])S[H])[C@]1([H])O[H]
M02352,"LDL-Remnant (Low-Density Lipoprotein)",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02353,"LDL (Low-Density Lipoprotein)",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02375,"L-Glutaminyl-Peptide",C7H12N3O4R(C2H2NOR)n,0,0,0,C02986,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]
M02376,"Glutaminyl-tRNA",C20H29N7O12PR(C5H8O6PR)n,0,0,0,C02282,NaN,29166,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])[C@]1([H])O[H]
M02377,"L-Glutamyl-tRNA(Glu)",C20H28N6O13PR(C5H8O6PR)n,0,0,0,C02987,NaN,29157,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])O[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
M02380,"L-Histidyl-tRNA(His)",C16H24N3O11PR2(C5H8O6PR)n,0,0,0,C02988,NaN,29155,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1
M02382,"Lithium",Li,1,6.941,7.016004049,C15473,28486,49713,HMDB0005949,"",,,FDB004181,26502,"LI%2b",,"Lithium_(medication)",DB01356,,,,NaN,7439-93-2,DTXSID5036761,HBBGRARXTFLTSG-UHFFFAOYSA-N,"InChI=1S/Li/q+1",[Li+]
M02392,"Lipid-Droplet",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02397,"Lipoyl-[ACP]",C8H13OS3R,0,0,0,C16239,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]C([H])(C(=O)S[*])C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])SSC([H])([H])C1([H])[H]
M02401,"L-Isoleucyl-tRNA(Ile)",C21H32N6O11PR(C5H8O6PR)n,0,0,0,C03127,NaN,29160,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@]1([H])O[H]
M02404,"L-Leucyl-tRNA(Leu)",C21H32N6O11PR(C5H8O6PR)n,0,0,0,C02047,NaN,16624,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]1([H])O[H]
M02405,"L-Lysyl-tRNA(Lys)",C16H29N2O11PR2(C5H8O6PR)n,0,0,0,C01931,NaN,16047,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]
M02408,"L-Methionyl-tRNA(Met)",C20H30N6O11PSR(C5H8O6PR)n,0,0,0,C02430,NaN,16635,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])[C@]1([H])O[H]
M02412,"L-Phenylalanyl-tRNA(Phe)",C19H26NO11PR2(C5H8O6PR)n,0,0,0,C03511,NaN,29153,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02414,"LPL",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02415,"L-Prolyl-tRNA(Pro)",C15H24NO11PR2(C5H8O6PR)n,0,0,0,C02702,NaN,29154,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OC(=O)[C@@]1([H])N([H])C([H])([H])C([H])([H])C1([H])[H]
M02416,"L-Seryl-tRNA(Ser)",C13H22NO12PR2(C5H8O6PR)n,0,0,0,C02553,NaN,29162,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@]([H])(N([H])[H])C(=O)O[C@]1([H])[C@]([H])(O[C@@]([H])([*])[C@]1([H])O[H])C([H])([H])OP(=O)(O[H])O[C@]1([H])[C@]([H])(O[C@@]([H])([*])[C@]1([H])O[H])C([H])([H])OP(=O)(O[H])O[C@]1([H])[C@]([H])(O[C@@]([H])([*])[C@]1([H])O[H])C([H])([H])O[H]
M02419,"L-Threonyl-tRNA(Thr)",C14H24NO12PR2(C5H8O6PR)n,0,0,0,C02992,NaN,29163,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OC(=O)[C@@]([H])(N([H])[H])[C@@]([H])(O[H])C([H])([H])[H]
M02420,"L-Tryptophanyl-tRNA(Trp)",C26H31N7O11PR(C5H8O6PR)n,0,0,0,C03512,NaN,29159,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)[C@]1([H])O[H]
M02421,"L-Tyrosyl-tRNA(Tyr)",C24H30N6O12PR(C5H8O6PR)n,0,0,0,C02839,NaN,29161,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])O[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
M02423,"L-Valyl-tRNA(Val)",C20H30N6O11PR(C5H8O6PR)n,0,0,0,C02554,NaN,29164,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]1([H])O[H]
M02427,"Lysosomal-Enzyme-D-Mannose",C6H11O6R,0,0,0,C03706,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[*])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M02428,"Lysosomal-Enzyme-N-Acetyl-D-Glucosaminyl-Phospho-D-Mannose",C14H25NO14PR,0,0,0,C04789,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP(=O)(O[H])OC([H])([H])[C@@]2([H])O[C@]([H])(O[*])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M02435,"M7G(5')Pppam",C27H40N10O23P4R(C5H8O6PR)n,0,0,0,C01972,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@]2([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=[N+](C4=C3N=C(N([H])[H])N([H])C4=O)C([H])([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@@]1([H])O[H]
M02436,"M7G(5')Pppm6Am (Mrna Containing An N6,2'-O-Dimethyladenosine Cap)",C28H42N10O23P4R(C5H8O6PR)n,0,0,0,C04833,NaN,17894,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@]2([H])[C@]([H])(O[C@@]([H])(N3C([H])=NC4=C3N=C([H])N=C4N([H])C([H])([H])[H])[C@]2([H])OC([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=[N+](C4=C3N=C(N([H])[H])N([H])C4=O)C([H])([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H]
M02437,"M7G(5')Ppprm-Rna (Mrna Containing A 2'-O-Methylpurine Cap)",C22H36N5O23P4R2(C5H8O6PR)n,0,0,0,C04802,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(OC([H])([H])[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=[N+](C4=C3N=C(N([H])[H])N([H])C4=O)C([H])([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H]
M02438,"M7G(5')Pppr-Rna",C21H34N5O23P4R2(C5H8O6PR)n,0,0,0,C02339,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=[N+](C4=C3N=C(N([H])[H])N([H])C4=O)C([H])([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H]
M02446,"Maltoheptaose",C42H72O36,0,0,0,,NaN,NaN,,"",,M02446,,NaN,"",,"",,,,,NaN,,,,"",
M02447,"Maltohexaose",C36H62O31,0,990.8589,990.3275053,C01936,5288409,61953,HMDB0012253,"",,M02447,FDB001191,4450599,"CPD-3782",,"",,,,,NaN,34620-77-4,,OCIBBXPLUVYKCH-LIGGPISVSA-N,"InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31?,32-,33-,34-,35-,36-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])(O[H])O[C@]6([H])C([H])([H])O[H])O[C@]5([H])C([H])([H])O[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M02449,"Maltopentaose",C30H52O26,0,0,0,,NaN,NaN,,"",,M02449,,NaN,"",,"",,,,,NaN,,,,"",
M02451,"Maltotetraose",C24H42O21,0,666.5777,666.2218584,C02052,439639,61988,HMDB0001296,"",,M02451,FDB001195,388711,"MALTOTETRAOSE",,"",DBMET00525,,,C00018031,4199,34612-38-9,,LUEWUZLMQUOBSB-AYQJAVFRSA-N,"InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22-,23-,24-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])(O[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M02457,"5,8,11-Eicosatrienoic acid",C20H34O2,0,306.4828,306.2558803,,5312531,1306412,HMDB0010378,"",,M02457,FDB027529,4471956,"",,"",,,,,NaN,20590-32-3,,UNSRRHDPHVZAHH-WYTUUNCASA-N,"InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13,15-16H,2-8,11,14,17-19H2,1H3,(H,21,22)/b10-9+,13-12+,16-15+",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M02467,"1,1-Dimethylbiguanide",C4H11N5,0,129.1636,129.1014454,C07151,4091,6801,HMDB0001921,"",,,FDB022739,3949,"",,"Glucophage",DB00331,,,,6390,1115-70-4,DTXSID2023270,XZWYZXLIPXDOLR-UHFFFAOYSA-N,"InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)",[H]N=C(N([H])[H])N([H])C(=N[H])N(C([H])([H])[H])C([H])([H])[H]
M02469,"Methaneselenol",CH4Se,0,95,95.94782196,,NaN,64685,HMDB0060488,"",,,,NaN,"",,"",,,,,NaN,,,APKHDKJWSHYLEU-UHFFFAOYSA-N,"InChI=1S/CH4Se/c1-2/h2H,1H3",[H][Se]C([H])([H])[H]
M02472,"Methionyl-Peptide",C11H17N4O5SR3,0,0,0,C11440,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])C(=O)C([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H]
M02474,"Methylarsonate",CH4AsO3,-1,139.9702,139.9454654,C07294,8948,29852,HMDB0012258,"",,,FDB028897,8604,"METHYLARSONATE",,"",,,,,NaN,124-58-3,DTXSID6058392,QYPPRTNMGCREIM-UHFFFAOYSA-N,"InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)",[H]O[As](=O)(O[H])C([H])([H])[H]
M02488,"Molybdopterin",C10H12N5O6PS2,-2,525.31,526.923197,C05924,23304237,21437,HMDB0002206,"",,,FDB022906,4883416,"CPD0-1882",,"Molybdopterin",,,,,6546,73508-07-3,,HPEUEJRPDGMIMY-VISFTIJFSA-L,"InChI=1S/C10H14N5O6PS2/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16)/p-2/t2-,3?,9?/m0/s1",[H]OP(=O)(O[H])OC([H])([H])[C@@]1([H])OC2([H])N([H])C3=C(N([H])C2([H])C(S[H])=C1S[H])C(=O)N([H])C(=N3)N([H])[H]
M02490,"Monofucosyllactoisooctaosylceramide",X,0,0,0,G04561,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02491,"Monosialylgalactosylgloboside",X,0,0,0,G00098,NaN,NaN,,"",,M02491,,NaN,"",,"",,,,,NaN,,,,"",
M02493,"Myo-Inositol-Polyphosphate",X,0,0,0,C11525,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02496,"N(Omega)-(Adenosine-5'-Diphosphate-D-Ribosyl)-L-Arginine",C21H34N9O15P2,-1,0,0,C01201,NaN,15827,,"",,,,NaN,"",,"",,,,,65569,,,IWVSYNGKNZFSSA-PTDVUUCPSA-N,"InChI=1S/C21H35N9O15P2/c22-8(20(35)36)2-1-3-25-21(24)29-18-14(33)12(31)9(43-18)4-41-46(37,38)45-47(39,40)42-5-10-13(32)15(34)19(44-10)30-7-28-11-16(23)26-6-27-17(11)30/h6-10,12-15,18-19,31-34H,1-5,22H2,(H,35,36)(H,37,38)(H,39,40)(H2,23,26,27)(H3,24,25,29)/t8-,9+,10+,12+,13+,14+,15+,18-,19+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[C@@]1([H])O[C@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C3N=C([H])N=C4N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
M02505,"N1-Methyl-2-pyridone-5-carboxamide",C7H8N2O2,0,152.1506,152.0585775,C05842,69698,27410,HMDB0004193,"",,,FDB023330,62899,"",,"",,,,,7025,701-44-0,DTXSID70220374,JLQSXXWTCJPCBC-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)",[H]N([H])C(=O)C1=C([H])N(C(=O)C([H])=C1[H])C([H])([H])[H]
M02506,"N1-Methyl-4-pyridone-3-carboxamide",C7H8N2O2,0,152.1506,152.0585775,C05843,440810,27838,HMDB0004194,"",,,FDB023331,389671,"",,"",,,,,NaN,769-49-3,DTXSID80227697,KTLRWTOPTKGYQY-UHFFFAOYSA-N,"InChI=1S/C7H8N2O2/c1-9-3-2-6(10)5(4-9)7(8)11/h2-4H,1H3,(H2,8,11)",[H]N([H])C(=O)C1=C([H])N(C([H])=C([H])C1=O)C([H])([H])[H]
M02513,"Aspartylglycosamine",C12H21N3O8,0,335.3104,335.1328647,C04540,123826,17261,HMDB0000489,"",,,FDB022071,110370,"ACETYL-ETCETERA-L-ASPARAGINE",,"",,,,,5476,2776-93-4,,YTTRPBWEMMPYSW-HRRFRDKFSA-N,"InChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+,11+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C(=O)N([H])[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
M02521,"N-Acetyl-b-glucosaminylamine",C8H16N2O5,0,220.223,220.1059216,C01239,439454,15947,HMDB0001104,"",,,FDB022426,388560,"N-ACETYL-BETA-GLUCOSAMINYLAMINE",,"",,,,,6006,,,MCGXOCXFFNKASF-FMDGEEDCSA-N,"InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N([H])[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M02541,"N-Acetylmuramate",C11H18NO8,-1,293.2705,293.1110666,C02713,5462244,21615,HMDB0060493,"",,,,4575341,"",,"N-Acetylmuramic_acid",,,,,NaN,10597-89-4,,MNLRQHMNZILYPY-MTBMMDAPSA-N,"InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11?/m0/s1",[H]OC(=O)[C@]([H])(O[C@@]1([H])[C@]([H])(O[H])[C@]([H])(OC([H])(O[H])[C@]1([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H]
M02542,"N-Acetylmuramoyl-Ala",C14H23N2O9,-1,364.3484,364.1481804,C02999,5462248,NaN,HMDB0060494,"",,,,4575343,"",,"",,,,,NaN,,,ICMUIFDBEVJCQA-LCBHGWRZSA-N,"InChI=1S/C14H24N2O9/c1-5(13(21)22)15-12(20)6(2)24-11-9(16-7(3)18)14(23)25-8(4-17)10(11)19/h5-6,8-11,14,17,19,23H,4H2,1-3H3,(H,15,20)(H,16,18)(H,21,22)/t5-,6-,8+,9+,10+,11+,14-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(O[C@@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@]([H])(O[H])[C@]1([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H])C([H])([H])[H]
M02545,"N-acetyl-O-acetylneuraminate",C13H19NO10,-2,351.3065,351.1165459,,NaN,NaN,HMDB0060492,"",,,,NaN,"",,"",,,,,NaN,,,OZRRUNAGVHDLHM-CQYNJFSHSA-M,"InChI=1S/C13H20NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19H,3-4H2,1-2H3,(H,14,15)(H,20,21)/q-1/p-1/t7-,8+,9+,10?,11+,13-/m0/s1",[H]OC(=N[C@]1([H])[C@@]([H])(O[H])C([H])([H])[C@](O[H])(O[C@@]1([H])C([H])(O[H])[C@]([H])(O[H])C([H])([H])OC(=O)C([H])([H])[H])C(=O)O[H])C([H])([H])[H]
M02557,"Naphthalene-1,2-diol",C10H8O2,0,160.1693,160.0524295,,NaN,17435,HMDB0060497,"",,,,NaN,"NAPHTHALENE-12-DIOL",,"",,,,,NaN,,DTXSID30205985,NXPPAOGUKPJVDI-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H",[H]OC1=C(O[H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H]
M02560,"Nefa-Blood-Pool-In",CHO2R,0,0,0,,NaN,NaN,,"",,M02560,,NaN,"",,"",,,,,NaN,,,,"",
M02561,"Nefa-Blood-Pool-Out",CHO2R,0,0,0,,NaN,NaN,,"",,M02561,,NaN,"",,"",,,,,NaN,,,,"",
M02576,"N-Formylmethionyl-tRNA",C21H30N6O12PSR(C5H8O6PR)n,0,0,0,C03294,NaN,17119,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])C([H])=O)C([H])([H])C([H])([H])SC([H])([H])[H])[C@]1([H])O[H]
M02580,"N-Hydroxy-1-aminonaphthalene",C10H9NO,0,159.188,159.0684139,C14789,11828,34871,HMDB0062503,"",,,,NaN,"",,"",,,,,NaN,607-30-7,DTXSID40209510,CWFINLADSFPMHF-UHFFFAOYSA-N,"InChI=1S/C10H9NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H",[H]ON([H])C1=C([H])C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12
M02589,"Nitrogen",N2,0,28.0134,28.00614801,C00697,947,17997,HMDB0001371,"",,,FDB013398,922,"NITROGEN-OXIDE",,"Nitrogen",,,,,NaN,7727-37-9,DTXSID4036304,IJGRMHOSHXDMSA-UHFFFAOYSA-N,"InChI=1S/N2/c1-2",N#N
M02592,"NLc5Cer ((Gal)3 (Glc)1 (GlcNAc)1 (Cer)1)",X,0,0,0,G00051,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02605,"N-Methyltryptamine",C11H15N2,1,174.2423,174.1156985,C06213,6088,28136,HMDB0004370,"",,,FDB023368,5863,"",,"N-Methyltryptamine",,,,C00026521,7057,61-49-4,DTXSID70209846,NCIKQJBVUNUXLW-UHFFFAOYSA-N,"InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3",[H]N(C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12
M02607,"Nnal-N-Glucuronide",C16H23N3O8,0,0,0,C19606,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VSVYJUYJFLYYSI-UKOUFMKDSA-N,"InChI=1S/C16H23N3O8/c1-18(17-26)6-3-5-10(20)9-4-2-7-19(8-9)15-13(23)11(21)12(22)14(27-15)16(24)25/h2,4,7-8,10-15,20-23H,3,5-6H2,1H3/t10?,11-,12-,13+,14-,15+/m0/s1",[H]OC([H])(C1=C([H])[N+](=C([H])C([H])=C1[H])[C@]1([H])O[C@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])C([H])([H])C([H])([H])C([H])([H])N(N=O)C([H])([H])[H]
M02608,"N-nitrosomethanamine",CH4N2O,0,60.056,60.03236276,C20306,108081,NaN,HMDB0062508,"",,,,NaN,"",,"",,,,,NaN,,DTXSID00215076,CIJBKNZDKBKMFU-UHFFFAOYSA-N,"InChI=1S/CH4N2O/c1-2-3-4/h1H3,(H,2,4)",[H]N(N=O)C([H])([H])[H]
M02611,"Nonadecanoylcarnitine",C26H51NO4,0,0,0,,NaN,NaN,,"",,M02611,,NaN,"",,"",,,,,NaN,,,GWKZIORVZQMWMC-XMMPIXPASA-N,"InChI=1S/C26H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)31-24(22-25(28)29)23-27(2,3)4/h24H,5-23H2,1-4H3/t24-/m1/s1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M02612,"Nonadecanoyl Coenzyme A",C40H68N7O17P3S,-4,0,0,,NaN,NaN,,"",,M02612,,NaN,"",,"",,,,,NaN,,,YUJZGRUJMWKAJF-ZOUGCNRJSA-N,"InChI=1S/C40H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(49)68-24-23-42-30(48)21-22-43-38(52)35(51)40(2,3)26-61-67(58,59)64-66(56,57)60-25-29-34(63-65(53,54)55)33(50)39(62-29)47-28-46-32-36(41)44-27-45-37(32)47/h27-29,33-35,39,50-51H,4-26H2,1-3H3,(H,42,48)(H,43,52)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/t29-,33-,34-,35+,39-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M02613,"Nonadecanoic acid",C19H37O2,-1,298.5038,298.2871805,C16535,12591,39246,HMDB0000772,"",,M02613,FDB004043,12071,"",,"Nonadecylic_acid",,,,,5738,646-30-0,DTXSID3060954,ISYWECDDZWTKFF-UHFFFAOYSA-N,"InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M02615,"Nonanoyl-ACP",C9H17OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02616,"Nonanoyl-CoA",C30H48N7O17P3S,-4,907.757,907.2353235,C01942,439607,27770,HMDB0013028,"",,M02616,FDB029254,388685,"CPD-7302",,"",,,,,NaN,17331-98-5,,WLDUTYVSAGSKIV-YUXRTGJASA-N,"InChI=1S/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25?,29-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M02625,"N-Substituted-Amino-Acid",C3H3NO3R2,0,0,0,C03523,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)C([H])([*])N([H])C([*])=O
M02626,"N-Substituted-Aminoacyl-tRNA",C13H18NO12PR4(C5H8O6PR)n,0,0,0,C03880,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OC(=O)[C@]([H])([*])N([H])C([*])=O
M02627,"N-Tetradecanoylglycylpeptide",C16H31NO3(C2H2NOR)n,0,0,0,C03881,NaN,17739,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)C([H])([*])N([H])C(=O)C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M02637,"Octadecatrienoylcarnitine",C25H43NO4,0,0,0,,NaN,NaN,,"",,M02637,,NaN,"",,"",,,,,NaN,,,,"",
M02638,"Octadecenoylcarnitine(11)",C25H47NO4,0,0,0,,NaN,NaN,,"",,M02638,,NaN,"",,"",,,,,NaN,,,HOAMADDCQBUDDY-HSZRJFAPSA-O,"InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h10-11,23H,5-9,12-22H2,1-4H3/p+1/t23-/m1/s1",[H]OC(=O)C([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M02645,"O-D-Mannosylprotein",C10H16N2O8R2,0,0,0,C02863,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M02656,"O-Phosphoprotamine",X,0,0,0,C02729,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02663,"Oxidized-Adrenal-Ferredoxin",X,0,0,0,C00667,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02665,"Oxidized-Ferredoxin",X,0,0,0,C00139,NaN,17908,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02669,"Oxytocin",C43H67N12O12S2,1,1007.187,1006.436457,C00746,53477758,7872,HMDB0002865,"",,,FDB023075,388434,"",,"Oxytocin",DB00107,,,,1691,50-56-6,DTXSID8048361,XNOPRXBHLZRZKH-DSZYJQQASA-N,"InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]1([H])N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])SSC([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C(=O)N([H])[H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
M02671,"Diguanosine tetraphosphate",C20H24N10O21P4,-4,868.3858,868.0380941,C01261,165186,15883,HMDB0001340,"",,,FDB022564,144813,"CPD-609",,"",,,,,4175,4130-19-2,,OLGWXCQXRSSQPO-MHARETSRSA-N,"InChI=1S/C20H28N10O21P4/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1",[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])N1C([H])=NC2=C1N=C(N([H])[H])N([H])C2=O)C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C(N([H])[H])N([H])C3=O)[C@]([H])(O[H])[C@]1([H])O[H]
M02683,"Paragloboside",C45H79N2O23R,0,0,0,C04922,NaN,17006,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
M02686,"Pe-Nme-Ld-Pool",C8H13NO8PR2,-1,0,0,C01241,NaN,15958,,"",,M02686,,NaN,"",,"",,,,,NaN,,,,"",[H]OP(=O)(OC([H])([H])C([H])([H])N([H])C([H])([H])[H])OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
M02687,"Pentadecanoyl-ACP",C15H29OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02693,"Pentanoyl-ACP",C5H9OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02694,"Pentanoyl-CoA",C26H40N7O17P3S,-4,851.651,851.1727232,C00888,439337,15536,HMDB0013037,"",,M02694,FDB029262,388465,"5-HYDROXYPENTANOYL-COA",,"",,,,,NaN,,,RXUATCUKICAIOA-ZMHDXICWSA-N,"InChI=1S/C26H44N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,4-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M02699,"2-(3-Carboxy-3-aminopropyl)-L-histidine",C11H15N5O4R2,0,256.2584,256.117155,C04441,440342,17144,HMDB0011655,"",,,FDB028346,389308,"2-3-CARBOXY-3-AMINOPROPYL-L-HISTIDINE",,"",,,,,NaN,,,CJCSNWWKPUXVRD-MLWJPKLSSA-N,"",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C1=NC(=C([H])N1[H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M02700,"2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine",C12H17N5O4R2,0,271.293,271.1406301,C04692,440443,16475,HMDB0011654,"",,,FDB028345,389379,"2-3-CARBOXY-3-METHYLAMMONIOPROPYL-L-",,"",,,,,NaN,,,YBMOTEQVMANKGX-JAMMHHFISA-O,"",[H]OC(=O)[C@@]([H])(N([H])C([H])([H])[H])C([H])([H])C([H])([H])C1=NC(=C([H])N1[H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M02701,"Peptide-3-Hydroxy-L-Aspartate",C5H6N2O5R2,0,0,0,C03957,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)C([H])(O[H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M02702,"Peptide-L-Aspartate",C5H6N2O4R2,0,0,0,C02871,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M02703,"Peptide-L-Methionine-(S)-S-Oxide",C6H10N2O3SR2,0,0,0,C03895,NaN,15989,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([*])C(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])C([H])([H])[S@@](=O)C([H])([H])[H]
M02704,"Peptide-L-Methionine",C6H10N2O2SR2,0,0,0,C03023,NaN,16044,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([*])C(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])C([H])([H])SC([H])([H])[H]
M02705,"Peptidyl-Allysyl-Peptide",C12H17N4O6R3(C2H2NOR)n(C2H2NOR)n,0,0,0,C03531,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])=O
M02706,"Peptidylamidoglycolate",C4H7N2O4R(C2H2NOR)n,0,0,0,C03303,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)C([H])(O[H])N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])[H]
M02707,"Peptidylglycine",C4H7N2O3R(C2H2NOR)n,0,0,0,C02303,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)C([H])([H])N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])[H]
M02708,"Peptidyl-L-Lysyl-Peptide",C12H20N5O5R3(C2H2NOR)n(C2H2NOR)n,0,0,0,C03530,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]
M02709,"Peptidylproline-(Omega=0)",C6H8N2O2R2,0,0,0,C03633,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([*])C(=O)[C@@]1([H])N(C([*])=O)C([H])([H])C([H])([H])C1([H])[H]
M02710,"Peptidylproline-(Omega=180)",C6H8N2O2R2,0,0,0,C03798,NaN,15701,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([*])C(=O)[C@@]1([H])N(C([*])=O)C([H])([H])C([H])([H])C1([H])[H]
M02723,"Phenylacetylglycine",C10H11NO3,0,193.1992,193.0738932,C05598,68144,27480,HMDB0000821,"",,,FDB022266,61452,"",,"",,,,,4237,500-98-1,DTXSID40198177,UTYVDVLMYQPLQB-UHFFFAOYSA-N,"InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)",[H]OC(=O)C([H])([H])N([H])C(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
M02737,"Phospho-Beta-Adrenergic-Receptor",C4H7N2O6PR2,0,0,0,C04141,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OP(=O)(O[H])OC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M02740,"Phospholipids-Extracellular-Pool",C5H5O8PR3,-2,0,0,C00865,NaN,16247,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OP(=O)(O[*])OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
M02742,"Phosphoprotein",X,0,0,0,C00562,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02743,"Phosphorhodopsin",X,0,0,0,C02456,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02745,"5Z-Tetradecenoic acid",C14H25O2,-1,226.355,226.1932801,,5312400,70716,HMDB0000521,"",,M02745,FDB022089,4471825,"",,"",,,,,5506,5684-70-8,,AFGUVBVUFZMJMX-KTKRTIGZSA-N,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h9-10H,2-8,11-13H2,1H3,(H,15,16)/b10-9-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M02748,"Phytoceramide-Pool",C19H38NO4R,0,0,0,C12145,NaN,31998,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M02749,"Phytosphingosine",C18H40NO3,1,317.5072,317.2929941,C12144,122121,46961,HMDB0004610,"",,,FDB023381,108921,"PHYTOSPINGOSINE",,"",,,,,7066,554-62-1,DTXSID80203951,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",[H]OC([H])([H])[C@]([H])(N([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M02755,"Polynucleotide",C10H17O10PR2(C5H8O6PR)n,0,0,0,C00419,NaN,15986,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])O[H]
M02757,"PPARA (EnsG00000186951)",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02758,"Dimethylethanolamine",C9H15NO8PR2,-1,89.1362,89.08406398,C04308,7902,271436,HMDB0032231,"",,M02758,FDB009311,13854944,"",,"Dimethylethanolamine",,,,,NaN,108-01-0,DTXSID2020505,UEEJHVSXFDXPFK-UHFFFAOYSA-N,"",[H]OP(=O)(OC([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
M02760,"pregn-5-ene-3,20-dione",C21H30O2,0,314.469,314.2245802,,150901,63837,HMDB0062521,"",,M02760,,NaN,"",,"",,,,,NaN,1236-09-5,,MNRHZPCIEGLWGK-LEKSSAKUSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,16-19H,5-12H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",[H]C1=C2C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3([H])[C@]2([H])C1([H])[H]
M02761,"pregn-5-ene-3,20-dione-17-ol",C21H30O3,0,330.468,330.2194948,,192722,63843,HMDB0062522,"",,M02761,,NaN,"",,"",,,,,NaN,641-80-5,,RCFJDVCRANOZEL-CEGNMAFCSA-N,"InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,16-18,24H,5-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1",[H]O[C@]1(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])=C4C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
M02767,"Procollagen 5-Hydroxy-L-Lysine",C7H13N3O3R2,0,0,0,C01211,NaN,51807,,"",,,,NaN,"",,"",,,,,47,,,,"",[H]O[C@@]([H])(C([H])([H])N([H])[H])C([H])([H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
M02773,"Propanoyl-ACP",C3H5OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02801,"Protamine",X,0,0,0,C01609,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02807,"Pseudouridine 5'-phosphate",C9H11N2O9P,-2,324.1813,324.0358665,C01168,439424,18116,HMDB0001271,"",,,FDB022525,388535,"PSEUDOURIDINE-5-P",,"",,,,,NaN,1157-60-4,,MOBMOJGXNHLLIR-GBNDHIKLSA-N,"InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]1([H])O[H])C1=C([H])N([H])C(=O)N([H])C1=O
M02820,"Queuine",C12H15N5O3,0,277.2792,277.1174894,C01449,53477731,17433,HMDB0001495,"",,,FDB022654,NaN,"QUEUINE",,"Queuine",,,,,6279,72496-59-4,,WYROLENTHWJFLR-ACLDMZEESA-N,"InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1",[H]O[C@@]1([H])C([H])=C([H])[C@]([H])(N([H])C([H])([H])C2=C([H])N([H])C3=C2C(=O)N([H])C(=N3)N([H])[H])[C@@]1([H])O[H]
M02821,"Quinidine",C20H25N2O2,1,324.4168,324.183778,C06527,441074,28593,HMDB0015044,"",,,,389880,"",,"Quinidine",DB00908,,,C00031117,NaN,56-54-2,DTXSID4023549,LOUPRKONTZGTKE-POOUTFPKSA-N,"InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19?,20-/m0/s1",[H]O[C@@]([H])(C1=C([H])C([H])=NC2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C12)C1([H])[N@]2C([H])([H])C([H])([H])[C@@]([H])(C1([H])[H])[C@@]([H])(C([H])=C([H])[H])C2([H])[H]
M02827,"Reduced-Adrenal-Ferredoxin",X,0,0,0,C00662,NaN,16906,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02828,"Reduced-Ferredoxin",X,0,0,0,C00138,NaN,17513,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02829,"Reduced Vitamin K (phylloquinone)",C11H9O2R,0,450.6957,450.3497807,C05850,5280846,NaN,HMDB0004198,"",,,FDB023333,4444392,"",,"",,,,,7027,81382-12-9,,MBWXNTAXLNYFJB-NKFFZRIASA-N,"",[H]OC1=C([*])C(=C(O[H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[H]
M02837,"Retinyl Palmitate",C36H58O3,0,524.8740234,524.4593312,,NaN,NaN,,"",,M02837,,NaN,"",,"",,,,,NaN,79-81-2,DTXSID1021241,SLCSFDSJAUMVCI-MLGPEYMASA-N,"InChI=1S/C36H58O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-34(37)39-35(38)29-31(3)23-20-22-30(2)26-27-33-32(4)24-21-28-36(33,5)6/h20,22-23,26-27,29H,7-19,21,24-25,28H2,1-6H3/b23-20+,27-26-,30-22+,31-29+",[H]\C(=C(\[H])/C(=C(\[H])C(=O)OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])/C([H])([H])[H])C([H])=C(C([H])=C([H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
M02838,"Retinyl ester",C21H29O2R,0,302.451,302.2245802,C02075,5460164,545914,HMDB0003598,"",,,FDB023204,10607936,"CPD-437",,"",,,,,6966,,,WWDMJSSVVPXVSV-YCNIQYBTSA-N,"",[H]/C(=C(/[H])\C(=C(/[H])C([H])([H])OC([*])=O)\C([H])([H])[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H]
M02840,"Rhodopsin",C20H28R,0,0,0,C00778,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]C(=[*])C(\[H])=C(\C(\[H])=C(\[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])/C([H])([H])[H]
M02847,"RNA",C10H18O13P2R2(C5H8O6PR)n,0,0,0,C00046,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[H])[C@@]1([H])O[H]
M02848,"Rna-3-Terminal-Phosphate",C10H18O13P2R2(C5H8O6PR)n,0,0,0,C03638,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M02849,"Rna-Terminal-2,3-Cyclic-Phosphate",C10H16O12P2R2(C5H8O6PR)n,0,0,0,C04312,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]2([H])OP(=O)(O[H])O[C@]12[H]
M02850,"S-(1,2-Dichlorovinyl)glutathione",C12H16Cl2N3O6S,-1,402.251,401.0215114,C14868,6437359,NaN,HMDB0060504,"",,,,4941923,"",,"",,,,,NaN,,,IXARYIJEQUJTIZ-KWRIXSAHSA-N,"InChI=1S/C12H17Cl2N3O6S/c13-3-8(14)24-5-7(11(21)16-4-10(19)20)17-9(18)2-1-6(15)12(22)23/h3,6-7H,1-2,4-5,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/b8-3-/t6-,7-/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])S\C(Cl)=C(\[H])Cl
M02853,"S-(2,2-Dichloro-1-hydroxy)ethyl glutathione",C12H19Cl2N3O7S,0,420.266,419.0320761,C14861,11954070,NaN,HMDB0060506,"",,,,10128365,"",,"",,,,,NaN,,,RULDRNMMLPUXQI-LBHDVABESA-N,"InChI=1S/C12H19Cl2N3O7S/c13-9(14)12(24)25-4-6(10(21)16-3-8(19)20)17-7(18)2-1-5(15)11(22)23/h5-6,9,12,24H,1-4,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t5-,6-,12?/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC([H])(O[H])C([H])(Cl)Cl
M02854,"S-(2-Chloroacetyl)glutathione",C12H17ClN3O7S,-1,383.805,383.0553983,C14864,163913,NaN,HMDB0060505,"",,,,143757,"",,"",,,,,NaN,,,QJDRMMRBPVHMAD-BQBZGAKWSA-N,"InChI=1S/C12H18ClN3O7S/c13-3-10(20)24-5-7(11(21)15-4-9(18)19)16-8(17)2-1-6(14)12(22)23/h6-7H,1-5,14H2,(H,15,21)(H,16,17)(H,18,19)(H,22,23)/t6-,7-/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC(=O)C([H])([H])Cl
M02855,"S-(2-Hydroxyethyl)glutathione",C12H19N3O7S,-2,351.37,351.1100212,C14875,5460887,35896,HMDB0062525,"",,,,NaN,"",,"",,,,,NaN,28747-20-8,,UUZCUSQQEJSIHR-YUMQZZPRSA-L,"InChI=1S/C12H21N3O7S/c13-7(12(21)22)1-2-9(17)15-8(6-23-4-3-16)11(20)14-5-10(18)19/h7-8,16H,1-6,13H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/p-2/t7-,8-/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC([H])([H])C([H])([H])O[H]
M02861,"S-(Formylmethyl)glutathione",C12H17N3O7S,-2,349.36,349.0943707,C14871,11954074,NaN,HMDB0060507,"",,,,10128369,"",,"",,,,,NaN,,,VKLQBAQSSOPXGF-YUMQZZPRSA-L,"InChI=1S/C12H19N3O7S/c13-7(12(21)22)1-2-9(17)15-8(6-23-4-3-16)11(20)14-5-10(18)19/h3,7-8H,1-2,4-6,13H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/p-2/t7-,8-/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)O[H])C([H])([H])SC([H])([H])C([H])=O
M02893,"Selenomethionyl-tRNA(Met)",C20H30N6O11PSeR(C5H8O6PR)n,0,0,0,C05336,NaN,9100,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[Se]C([H])([H])[H])[C@]1([H])O[H]
M02895,"Se-Methylselenocysteine",C4H9NO2Se,0,182.08,182.9798504,C05689,147004,27812,HMDB0004113,"",,,FDB012599,129633,"",,"Se-methylselenocysteine",,,,C00001382,7019,26046-90-2,,XDSSPSLGNGIIHP-UHFFFAOYSA-N,"InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)",[H]OC(=O)C([H])(N([H])[H])C([H])([H])[Se]C([H])([H])[H]
M02898,"S-Farnesyl Protein",C26H39N5O6SR4(C2H2NOR)n,0,0,0,C20120,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])([*])N([H])C(=O)[C@]([H])([*])N([H])[H])C([H])([H])SC([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
M02909,"Smcfa-Blood-Pool",CHO2R,0,0,0,,NaN,NaN,,"",,M02909,,NaN,"",,"",,,,,NaN,,,,"",
M02911,"1-(sn-Glycero-3-phospho)-1D-myo-inositol",C9H18O11P,-1,334.2143,334.066498,C01225,NaN,18321,HMDB0011649,"",,,FDB011624,28184592,"CPD-541",,"",,,,,NaN,,,BMVUIWJCUQSHLZ-UJGXJMNGSA-N,"InChI=1S/C9H19O11P/c10-1-3(11)2-19-21(17,18)20-9-7(15)5(13)4(12)6(14)8(9)16/h3-16H,1-2H2,(H,17,18)/t3-,4-,5-,6+,7-,8-,9-/m1/s1",[H]OC([H])([H])[C@@]([H])(O[H])C([H])([H])OP(=O)(O[H])O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
M02913,"Glycerylphosphorylethanolamine",C5H14NO6P,0,215.1415,215.0558737,C01233,22833510,NaN,HMDB0000114,"",,,FDB021895,17215919,"",,"",,,,,5151,1190-00-7,,JZNWSCPGTDBMEW-YFKPBYRVSA-N,"InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m0/s1",[H]OC([H])([H])[C@]([H])(O[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
M02918,"S-Palmitoylprotein",C20H36N2O3SR2,0,0,0,C17202,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]N([*])C(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M02935,"Star",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M02954,"TCE epoxide",C2HCl3O,0,147.38,145.9092978,C11148,28167,28888,HMDB0062533,"",,,,NaN,"",,"",,,,,NaN,16967-79-6,,CMMXCVYESRODNH-UHFFFAOYSA-N,"InChI=1S/C2HCl3O/c3-1-2(4,5)6-1/h1H",[H]C1(Cl)OC1(Cl)Cl
M02956,"Tags-Chylomicron-Pool",C6H5O6R3,0,0,0,C00422,NaN,17855,,"triglyceride",,M02956,,NaN,"",,"",,,,,62030,,,,"",[H]C([H])(OC([*])=O)C([H])(OC([*])=O)C([H])([H])OC([*])=O
M02957,"TG(16:0/16:0/18:0)",C6H5O6R3,0,835.393,834.767641,C00422,3246953,NaN,HMDB0005357,"triglyceride",,,FDB023637,2497485,"Triacylglycerols",,"Triacylglycerol",,,,,4703,,,DQKMNCLZNGAXNX-DPDRHGIRSA-N,"",[H]C([H])(OC([*])=O)C([H])(OC([*])=O)C([H])([H])OC([*])=O
M02958,"Triacylglycerol-Ld-Pool",C6H5O6R3,0,0,0,C00422,NaN,17855,,"triglyceride",,,,NaN,"",,"",,,,,62030,,,,"",[H]C([H])(OC([*])=O)C([H])(OC([*])=O)C([H])([H])OC([*])=O
M02973,"Tetradecanoylcarnitine",C21H41NO4,0,371.5545,371.3035588,,53477791,84634,HMDB0005066,"",,M02973,FDB023615,NaN,"",,"",,,,,NaN,25597-07-3,,PSHXNVGSVNEJBD-LJQANCHMSA-N,"InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/t19-/m1/s1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M02975,"Tetradecenoylcarnitine(7)",C21H39NO4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DDSIETAJPRUVHI-KHPPLWFESA-N,"InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h10-11,19H,5-9,12-18H2,1-4H3/b11-10-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M02976,"Tetradecenoylcarnitine(9)",C21H39NO4,0,0,0,,NaN,NaN,,"",,M02976,,NaN,"",,"",,,,,NaN,,,ABVVZYXTZLEOHP-HJWRWDBZSA-N,"InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h8-9,19H,5-7,10-18H2,1-4H3/b9-8-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M02977,"TetraHCA",C27H47O4,-1,0,0,,NaN,NaN,,"",,M02977,,NaN,"",,"",,,,,NaN,,,FAYYTQMQTAKHRM-ASDSSCPRSA-N,"InChI=1S/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16+,17-,18-,19+,20+,21+,22-,23+,24+,26+,27-/m1/s1",[H]OC(=O)C([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H]
M02979,"Tetrahydropteroyltri-L-glutamate",C29H37N9O12,0,703.6572,703.2561677,C04144,16722112,17420,HMDB0012290,"",,,FDB028919,17625690,"CPD-1302",,"",,,,,NaN,,,RXWVHRYZTWZATH-XSLAGTTESA-N,"InChI=1S/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)/t15-,16-,17-,18-/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C1=C([H])C([H])=C(N([H])C([H])([H])[C@]2([H])N([H])C3=C(N=C(N([H])[H])N([H])C3=O)N([H])C2([H])[H])C([H])=C1[H])C(=O)O[H])C(=O)O[H])C(=O)O[H]
M02988,"Thiol",HSR,0,0,0,C00145,NaN,29256,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]S[*]
M02989,"Mercaptopurine",C5H4N4S,0,152.177,152.0156668,D04931,667490,2208,HMDB0015167,"",,,,580869,"",,"Mercaptopurine",DB01033,,,,NaN,50-44-2,DTXSID0020810,GLVAUDGFNGKCSF-UHFFFAOYSA-N,"InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",[H]SC1=NC([H])=NC2=C1N([H])C([H])=N2
M03005,"Trans,Cis,Cis,Cis-2,11,14,17-Eicosatetraenoyl Coenzyme A",C41H62N7O17P3S,-4,0,0,,NaN,NaN,,"",,M03005,,NaN,"",,"",,,,,NaN,,,YJKOIKYLHSMLHC-ATRRWJJYSA-J,"InChI=1S/C41H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,20-21,28-30,34-36,40,51-52H,4,7,10,13-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b6-5-,9-8-,12-11-,21-20+/t30-,34-,35-,36+,40-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M03006,"Trans,Cis,Cis,Cis-2,13,16,19-Docosatetraenoyl Coenzyme A",C43H66N7O17P3S,-4,0,0,,NaN,NaN,,"",,M03006,,NaN,"",,"",,,,,NaN,,,NRLYGVPJTXDRBN-VQDRTHBOSA-J,"InChI=1S/C43H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,22-23,30-32,36-38,42,53-54H,4,7,10,13-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,23-22+/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M03008,"Trans,Cis,Cis-2,13,16-Docasatrienoyl Coenzyme A",C43H68N7O17P3S,-4,0,0,,NaN,NaN,,"",,M03008,,NaN,"",,"",,,,,NaN,,,UQKAIZMGSRBXAI-DINKZTAGSA-J,"InChI=1S/C43H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h8-9,11-12,22-23,30-32,36-38,42,53-54H,4-7,10,13-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b9-8-,12-11-,23-22-/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M03011,"Trans,Cis-2,11-Docosadienoyl Coenzyme A",C43H70N7O17P3S,-4,0,0,,NaN,NaN,,"",,M03011,,NaN,"",,"",,,,,NaN,,,YJOHPYGLIIVTCO-WRSCFHFHSA-J,"InChI=1S/C43H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h13-14,22-23,30-32,36-38,42,53-54H,4-12,15-21,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b14-13-,23-22+/t32-,36-,37-,38+,42-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M03014,"Trans,Cis-2,13-Eicosadienoyl Coenzyme A",C41H66N7O17P3S,-4,0,0,,NaN,NaN,,"",,M03014,,NaN,"",,"",,,,,NaN,,,UODBMTONMVKPGP-MMGHJVPGSA-J,"InChI=1S/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h9-10,20-21,28-30,34-36,40,51-52H,4-8,11-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b10-9-,21-20+/t30-,34-,35-,36+,40-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M03016,"Trans,Cis-2,17-Hexacosadienoyl Coenzyme A",C47H78N7O17P3S,-4,0,0,,NaN,NaN,,"",,M03016,,NaN,"",,"",,,,,NaN,,,VVEDQQFMUCPMSM-LBUOMOQLSA-N,"InChI=1S/C47H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h11-12,26-27,34-36,40-42,46,57-58H,4-10,13-25,28-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/b12-11-,27-26+/t36-,40-,41-,42+,46-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M03017,"Trans,Cis-2,8,11-Eicosatrienoyl Coenzyme A",C41H64N7O17P3S,-4,0,0,,NaN,NaN,,"",,M03017,,NaN,"",,"",,,,,NaN,,,,"",
M03018,"Trans,Cis-2,9-Eicosadienoyl Coenzyme A",C41H66N7O17P3S,-4,0,0,,NaN,NaN,,"",,M03018,,NaN,"",,"",,,,,NaN,,,VCGWYAHHVOPZFZ-VUGQBNTFSA-J,"InChI=1S/C41H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h13-14,20-21,28-30,34-36,40,51-52H,4-12,15-19,22-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b14-13+,21-20+/t30-,34-,35-,36+,40-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M03019,"Trans,Cis-Hexadeca-2,7-Dienoyl Coenzyme A",C37H58N7O17P3S,-4,0,0,,NaN,NaN,,"",,M03019,,NaN,"",,"",,,,,NaN,,,YQARRKBGBKPBCX-DVZFGLDUSA-N,"InChI=1S/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h11-12,16-17,24-26,30-32,36,47-48H,4-10,13-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b12-11-,17-16+/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M03022,"Trans,Cis-Myristo-2,5-Dienoyl Coenzyme A",C35H54N7O17P3S,-4,0,0,,NaN,NaN,,"",,M03022,,NaN,"",,"",,,,,NaN,,,JVEFYXPCQBMMAA-ZMLWRGBOSA-N,"InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h11-12,14-15,22-24,28-30,34,45-46H,4-10,13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b12-11-,15-14+/t24-,28-,29-,30+,34-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M03024,"Trans,Cis-Octadeca-2,11-Dienoyl Coenzyme A",C39H62N7O17P3S,-4,0,0,,NaN,NaN,,"",,M03024,,NaN,"",,"",,,,,NaN,,,OPMPWWFMNYWBGF-SHWONZDGSA-J,"InChI=1S/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h9-10,18-19,26-28,32-34,38,49-50H,4-8,11-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b10-9-,19-18+/t28-,32-,33-,34+,38-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M03032,"trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene",C20H18O2,0,290.3557,290.1306798,C19490,156317,82518,HMDB0060517,"",,,,137654,"",,"",,,,,NaN,,,YZIIKMBFHLJAFT-ICSRJNTNSA-N,"InChI=1S/C20H18O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,18,20-22H,1-2H3/t18-,20-/m0/s1",[H]O[C@@]1([H])C([H])=C([H])C2=C(C([H])=C([H])C3=C2C(=C2C([H])=C([H])C([H])=C([H])C2=C3C([H])([H])[H])C([H])([H])[H])[C@]1([H])O[H]
M03038,"trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene",C20H18O2,0,290.3557,290.1306798,C19607,12778780,82593,HMDB0060519,"",,,,19974409,"",,"",,,,,NaN,,,SGVWCDYKBWRHKJ-PMACEKPBSA-N,"InChI=1S/C20H18O2/c1-11-13-7-3-4-8-14(13)12(2)18-17(11)15-9-5-6-10-16(15)19(21)20(18)22/h3-10,19-22H,1-2H3/t19-,20-/m0/s1",[H]O[C@@]1([H])C2=C(C([H])=C([H])C([H])=C2[H])C2=C(C(=C3C([H])=C([H])C([H])=C([H])C3=C2C([H])([H])[H])C([H])([H])[H])[C@]1([H])O[H]
M03041,"Trichloroacetic acid",C2Cl3O2,-1,163.387,161.9042124,C11150,6421,30956,HMDB0042048,"",,,,10772050,"CPD-9675",,"trichloroacetic_acid",,,,,NaN,76-03-9,DTXSID1021378,YNJBWRMUSHSURL-UHFFFAOYSA-N,"InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)",[H]OC(=O)C(Cl)(Cl)Cl
M03042,"Trichloroethanol glucuronide",C8H10Cl3O7,-1,325.528,323.9570358,C14869,3036914,NaN,HMDB0042049,"",,,,2300807,"",,"",,,,,NaN,97-25-6,DTXSID30242658,IQOASJJGUQMXDW-GHQVIJFQSA-N,"InChI=1S/C8H11Cl3O7/c9-8(10,11)1-17-7-4(14)2(12)3(13)5(18-7)6(15)16/h2-5,7,12-14H,1H2,(H,15,16)/t2-,3-,4+,5-,7+/m0/s1",[H]OC(=O)[C@@]1([H])O[C@@]([H])(OC([H])([H])C(Cl)(Cl)Cl)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M03043,"2,2,2-Trichloroethanol",C2H3Cl3O,0,149.404,147.9249478,C07490,8259,28094,HMDB0041796,"",,,,7961,"CPD-9673",,"2,2,2-trichloroethanol",,,,,NaN,115-20-8,DTXSID1021950,KPWDGTGXUYRARH-UHFFFAOYSA-N,"InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2",[H]OC([H])([H])C(Cl)(Cl)Cl
M03044,"Trichloroethylene",C2HCl3,0,131.388,129.9143832,C06790,6575,16602,HMDB0029593,"",,,FDB000752,13837280,"",,"Trichloroethylene",,,,,NaN,79-01-6,DTXSID0021383,XSTXAVWGXDQKEL-UHFFFAOYSA-N,"InChI=1S/C2HCl3/c3-1-2(4)5/h1H",[H]C(Cl)=C(Cl)Cl
M03045,"Tricosanoic acid",C23H45O2,-1,354.6101,354.3497807,,17085,42394,HMDB0001160,"",,M03045,FDB002894,16170,"CPD-7834",,"F23",,,,,4211,2433-96-7,DTXSID40179067,XEZVDURJDFGERA-UHFFFAOYSA-N,"InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M03046,"Tricosanoylcarnitine",C30H59NO4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WMGNVECUKWPFJX-MUUNZHRXSA-N,"InChI=1S/C30H59NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30(34)35-28(26-29(32)33)27-31(2,3)4/h28H,5-27H2,1-4H3/t28-/m1/s1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M03047,"Tricosanoyl Coenzyme A",C44H76N7O17P3S,-4,0,0,,NaN,NaN,,"",,M03047,,NaN,"",,"",,,,,NaN,,,GBAQBZWAXMYXRJ-IDCBOFBBSA-N,"InChI=1S/C44H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(53)72-28-27-46-34(52)25-26-47-42(56)39(55)44(2,3)30-65-71(62,63)68-70(60,61)64-29-33-38(67-69(57,58)59)37(54)43(66-33)51-32-50-36-40(45)48-31-49-41(36)51/h31-33,37-39,43,54-55H,4-30H2,1-3H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59)/t33-,37-,38-,39+,43-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M03048,"Tridecanoyl-ACP",C13H25OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03049,"Tridecanoylcarnitine",C20H39NO4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OLAOWMDKXPIITQ-UHFFFAOYSA-N,"InChI=1S/C20H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-20(24)25-18(16-19(22)23)17-21(2,3)4/h18H,5-17H2,1-4H3",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
M03050,"Tridecanoyl-CoA",C34H56N7O17P3S,-4,963.863,963.2979238,,53481606,NaN,HMDB0013109,"",,M03050,FDB029287,NaN,"4812-TRIMETHYLTRIDECANOYL-COA",,"",,,,,NaN,,,TZKUYUHMJHEXOQ-XILBVEEWSA-N,"InChI=1S/C34H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-25(43)62-18-17-36-24(42)15-16-37-32(46)29(45)34(2,3)20-55-61(52,53)58-60(50,51)54-19-23-28(57-59(47,48)49)27(44)33(56-23)41-22-40-26-30(35)38-21-39-31(26)41/h21-23,27-29,33,44-45H,4-20H2,1-3H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t23-,27-,28-,29?,33-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M03051,"Tridecanoic acid",C13H25O2,-1,214.3443,214.1932801,C17076,12530,45919,HMDB0000910,"",,M03051,FDB010409,12013,"",,"Tridecylic acid",,,,C00007422,5866,638-53-9,DTXSID4021684,SZHOJFHSIKHZHA-UHFFFAOYSA-N,"InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M03053,"Trimethylamine",C3H10N,1,59.1103,59.07349929,C00565,1146,18139,HMDB0000906,"",,,FDB011944,1114,"TRIMETHYLAMINE",,"Trimethylamine",,,,C00001433,3772,75-50-3,DTXSID2026238,GETQZCLCWQTVFV-UHFFFAOYSA-N,"InChI=1S/C3H9N/c1-4(2)3/h1-3H3",[H]C([H])([H])N(C([H])([H])[H])C([H])([H])[H]
M03054,"Trimethylamine N-oxide",C3H9NO,0,75.1097,75.06841392,C01104,1145,15724,HMDB0000925,"",,,FDB010413,1113,"TRIMENTHLAMINE-N-O",,"Trimethylamine oxide",DBMET00513,,,,5876,1184-78-7,DTXSID8049678,UYPYRKYUKCHHIB-UHFFFAOYSA-N,"InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3",[H]C([H])([H])[N+]([O-])(C([H])([H])[H])C([H])([H])[H]
M03056,"10,11S,12R-Trihydroxy-5Z,8Z,14Z-Eicosatrienoic Acid",C20H33O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GOHNIXDAQODZKP-OAHYXANXSA-N,"InChI=1S/C20H34O5/c1-2-3-4-5-8-11-14-17(21)20(25)18(22)15-12-9-6-7-10-13-16-19(23)24/h6-8,11-12,15,17-18,20-22,25H,2-5,9-10,13-14,16H2,1H3,(H,23,24)/b7-6?,11-8-,15-12-/t17-,18?,20+/m0/s1",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M03058,"TRNA-Containing 5-Aminomethyl-2-Thiouridine",C10H16N3O8PS(C5H8O6PR)n(C5H8O6PR)n,0,0,0,C11478,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@@]([H])(O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[H])N2C([H])=C(C(=O)N([H])C2=S)C([H])([H])N([H])[H])[C@@]1([H])O[H]
M03059,"TRNA-Containing-5-Methylaminomethyl-2-Thiouridylate",C11H18N3O8PS(C5H8O6PR)n(C5H8O6PR)n,0,0,0,C04728,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@@]([H])(O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[H])N2C([H])=C(C(=O)N([H])C2=S)C([H])([H])N([H])C([H])([H])[H])[C@@]1([H])O[H]
M03060,"TRNA-Containing-6-Isopentenyladenosine",C15H22N5O7P(C5H8O6PR)n(C5H8O6PR)n,0,0,0,C04432,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@@]([H])(O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[H])N2C([H])=NC3=C2N=C([H])N=C3N([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])O[H]
M03061,"TRNA-Containing-N2-Methylguanine",C11H16N5O8P(C5H8O6PR)n(C5H8O6PR)n,0,0,0,C04158,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@@]([H])(O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[H])N2C([H])=NC3=C2N=C(N([H])C([H])([H])[H])N([H])C3=O)[C@@]1([H])O[H]
M03062,"TRNA-Containing-N7-Methylguanine",C11H16N5O8P(C5H8O6PR)n(C5H8O6PR)n,0,0,0,C04160,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@@]([H])(O[C@]2([H])C([H])([H])OP([O-])(=O)O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[H])N2C([H])=[N+](C3=C2N=C(N([H])[H])N([H])C3=O)C([H])([H])[H])[C@@]1([H])O[H]
M03063,"TRNA(Ala)",X,0,0,0,C01635,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03064,"TRNA(Arg)",X,0,0,0,C01636,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03065,"TRNA(Asn)",X,0,0,0,C01637,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03066,"TRNA(Asp)",X,0,0,0,C01638,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03067,"TRNA(Cys)",X,0,0,0,C01639,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03068,"TRNA(Gln)",X,0,0,0,C01640,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03069,"TRNA(Glu)",X,0,0,0,C01641,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03070,"TRNA(Gly)",X,0,0,0,C01642,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03071,"TRNA(His)",X,0,0,0,C01643,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03072,"TRNA(Ile)",X,0,0,0,C01644,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03073,"TRNA(Leu)",X,0,0,0,C01645,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03074,"TRNA(Lys)",X,0,0,0,C01646,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03075,"TRNA(Met)",X,0,0,0,C01647,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03076,"TRNA(Phe)",X,0,0,0,C01648,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03077,"TRNA(Pro)",X,0,0,0,C01649,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03078,"TRNA(Ser)",X,0,0,0,C01650,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03079,"TRNA(Thr)",X,0,0,0,C01651,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03080,"TRNA(Trp)",X,0,0,0,C01652,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03081,"TRNA(Tyr)",X,0,0,0,C00787,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03082,"TRNA(Val)",X,0,0,0,C01653,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03083,"TRNA",C10H17O10PR2(C5H8O6PR)n,0,0,0,C00066,NaN,17843,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]1([H])O[H]
M03084,"TRNA-Guanine",C10H14N5O8P(C5H8O6PR)n(C5H8O6PR)n,0,0,0,C01977,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@]2([H])[C@]([H])(O[C@@]([H])(N3C([H])=NC4=C3N=C(N([H])[H])N([H])C4=O)[C@]2([H])O[H])C([H])([H])OP(=O)(O[H])O[C@]2([H])[C@]([H])(O[C@@]([H])([*])[C@]2([H])O[H])C([H])([H])OP(=O)(O[H])O[H])[C@@]1([H])O[H]
M03085,"TRNA-Pseudouridine",C9H13N2O9P(C5H8O6PR)n(C5H8O6PR)n,0,0,0,C02764,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@@]([H])(O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[H])C2=C([H])N([H])C(=O)N([H])C2=O)[C@@]1([H])O[H]
M03086,"TRNA-Queuine",C17H24N5O10P(C5H8O6PR)n(C5H8O6PR)n,0,0,0,C01978,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])C([H])=C([H])[C@]([H])(N([H])C([H])([H])C2=C([H])N(C3=C2C(=O)N([H])C(=N3)N([H])[H])[C@]2([H])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@]3([H])[C@]([H])(O[C@@]([H])([*])[C@]3([H])O[H])C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(OP(=O)(O[H])OC([H])([H])[C@@]3([H])O[C@@]([H])([*])[C@]([H])(O[H])[C@]3([H])O[H])[C@@]2([H])O[H])[C@@]1([H])O[H]
M03087,"TRNA-Uridine",C9H13N2O9P(C5H8O6PR)n(C5H8O6PR)n,0,0,0,C00868,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])([*])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@@]([H])(O[C@]2([H])C([H])([H])OP(=O)(O[H])O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])([*])O[C@]2([H])C([H])([H])OP(=O)(O[H])O[H])N2C([H])=C([H])C(=O)N([H])C2=O)[C@@]1([H])O[H]
M03093,"Type-II-A-Antigen",C59H102N3O32R,0,0,0,C06132,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@]([H])(O[C@@]([H])(O[C@]4([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]5([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]4([H])O[H])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]2([H])O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
M03094,"Type II B Antigen",X,0,0,0,G00052,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03104,"Ubiquitin-C-Terminal-Thiolester",X,0,0,0,C04090,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03105,"Ubiquitin",X,0,0,0,C00496,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03115,"Undecanoyl-ACP",C11H21OSR,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03116,"Undecanoyl-CoA",C32H52N7O17P3S,-4,935.81,935.2666236,,53481608,NaN,HMDB0013114,"",,M03116,FDB029290,NaN,"",,"",,,,,NaN,,,IZWCGXGZGYKDHR-WMMBNDHFSA-N,"InChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h19-21,25-27,31,42-43H,4-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,25-,26-,27?,31-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
M03117,"Undecanoic acid",C11H21O2,-1,186.2912,186.1619799,C17715,8180,32368,HMDB0000947,"",,M03117,FDB000700,7888,"",,"Undecanoate",,,,C00007421,5894,112-37-8,DTXSID8021690,ZDPHROOEEOARMN-UHFFFAOYSA-N,"InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M03122,"(S)-Ureidoglycolic acid",C3H5N2O4,-1,134.0907,134.0327567,C00603,439269,15412,HMDB0001005,"",,,FDB022364,388403,"CPD-1091",,"",,,,,5935,,DTXSID40331401,NWZYYCVIOKVTII-SFOWXEAESA-N,"InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1",[H]OC(=O)[C@]([H])(O[H])N([H])C(=O)N([H])[H]
M03131,"V3(Neuac)2-Gb5Cer ((Gal)3 (GalNAc)1 (Glc)1 (Neu5Ac)2 (Cer)1)",X,0,0,0,G00100,NaN,NaN,,"",,M03131,,NaN,"",,"",,,,,NaN,,,,"",
M03132,"V3Fuc,III3Fuc-nLc6Cer ((Gal)3 (Glc)1 (GlcNAc)2 (LFuc)2 (Cer)1)",X,0,0,0,G00090,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03134,"Valeric acid",C5H9O2,-1,102.1317,102.0680796,C00803,7991,17418,HMDB0000892,"",,M03134,FDB003230,7701,"",,"Valeric acid",,,,C00001208,110,109-52-4,DTXSID7021655,NQPDZGIKBAWPEJ-UHFFFAOYSA-N,"InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M03139,"Vitamin A Derivatives",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03140,"Vitamin D Derivatives",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03143,"Vitamin E Derivatives",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03144,"Vitamin-K-Epoxide",C11H7O3R,0,0,0,C16711,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]C1=C([H])C2=C(C([H])=C1[H])C(=O)C1(OC1([*])C2=O)C([H])([H])[H]
M03145,"Vitamin-K",C11H7O2R,0,0,0,C01628,NaN,28384,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]C1=C([H])C2=C(C([H])=C1[H])C(=O)C(=C([*])C2=O)C([H])([H])[H]
M03146,"VLDL-Remnant (Very Low-Density Lipoprotein)",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03147,"VLDL (Very Low-Density Lipoprotein)",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03153,"17Z-hexacosenoic acid",C26H49O2,-1,394.684,394.3810809,,5282775,77525,HMDB0062452,"",,M03153,,NaN,"",,"",,,,,NaN,,,RQIDQEBURXNDKG-KTKRTIGZSA-N,"InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h9-10H,2-8,11-25H2,1H3,(H,27,28)/b10-9-",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
M03159,"Phylloquinol",C31H48O2,0,452.7116,452.3654308,C03313,5280585,28433,HMDB0060502,"",,,FDB031116,4444201,"CPD-12831",,"",,,,,NaN,572-96-3,,BUFJIHPUGZHTHL-NKFFZRIASA-N,"InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",[H]OC1=C2C([H])=C([H])C([H])=C([H])C2=C(O[H])C(=C1C([H])([H])[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
M03160,"N-Acetylneuraminyl-Galactosylceramide",C36H63N2O16R,0,0,0,C06128,NaN,27499,,"",,,,NaN,"",,"",,,,,NaN,,,,"",[H]OC(=O)[C@]1(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])OC([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H]
M03161,"Glycogen",C24H42O21,0,666.5777,666.2218584,C00182,439177,28087,HMDB0000757,"",,,FDB022227,388322,"CPD0-971",,"Glycogen",DBMET00509,,,,160,9005-79-2,DTXSID3093812,BYSGBSNPRWKUQH-UJDJLXLFSA-N,"InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OC([H])([H])[C@@]2([H])O[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])O[C@]3([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
M03162,"5,6-Dihydroxyindole",C8H7NO2,0,149.1467,149.0476785,C05578,114683,27404,HMDB0004058,"5,6-dihydroxyindole",,,FDB023293,102690,"DIHYDROXYINDOLE",,"",,,,,7009,3131-52-0,DTXSID20185242,SGNZYJXNUURYCH-UHFFFAOYSA-N,"InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H",[H]OC1=C(O[H])C([H])=C2C([H])=C([H])N([H])C2=C1[H]
M03163,"Indole-5,6-quinone",C8H5NO2,0,147.1308,147.0320284,C05579,440728,27406,HMDB0006779,"indole-5,6-quinone",,,FDB024077,389600,"",,"",,,,,NaN,,,IGGVVGHJSQSLFO-UHFFFAOYSA-N,"InChI=1S/C8H5NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9H",[H]N1C([H])=C([H])C2=C([H])C(=O)C(=O)C([H])=C12
M03164,"D-Alanyl-D-alanine",C6H12N2O3,0,160.1711,160.0847923,C00993,5460362,16576,HMDB0003459,"",,,FDB006399,4573916,"D-ALA-D-ALA",,"",,,,C00019576,6937,923-16-0,,DEFJQIDDEAULHB-QWWZWVQMSA-N,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])[H])C([H])([H])[H]
M03165,"Sedoheptulose",C7H14O7,0,210.1819,210.0739528,C02076,102926,130460,HMDB0003219,"",,,FDB004279,92980,"CPD-3614",,"Sedoheptulose",,,,C00001132,3344,3019-74-7,,HAIWUXASLYEWLM-QTSLKERKSA-N,"InChI=1S/C7H14O7/c8-1-3-4(10)5(11)6(12)7(13,2-9)14-3/h3-6,8-13H,1-2H2/t3-,4-,5-,6+,7?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC(O[H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H]
M03166,"Sedoheptulose 1-phosphate",C7H13O10P,-2,290.1618,290.0402832,C06222,16070031,9082,HMDB0060509,"",,,,17229541,"",,"",,,,,NaN,,,JPTRNFAYXMBCLJ-SHUUEZRQSA-N,"InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h3,5-9,11-13H,1-2H2,(H2,14,15,16)/t3-,5-,6-,7-/m1/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C(=O)C([H])([H])OP(=O)(O[H])O[H]
M03167,"5-phosphonooxy-L-lysine",C6H14N2O6P,-1,242.1669,242.0667727,C03366,25163995,16752,HMDB0059600,"",,M03167,,21864813,"",,"",,,,,NaN,,,WLPXLNNUXMDSPG-UHNVWZDZSA-N,"InChI=1S/C6H15N2O6P/c7-3-4(14-15(11,12)13)1-2-5(8)6(9)10/h4-5H,1-3,7-8H2,(H,9,10)(H2,11,12,13)/t4-,5+/m1/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])[C@@]([H])(OP(=O)(O[H])O[H])C([H])([H])N([H])[H]
M03168,"Malonyl-CoA semialdehyde",C24H34N7O18P3S,-4,837.581,837.1206877,C05989,440865,NaN,HMDB0002170,"",,M03168,FDB022882,389702,"",,"",,,,,6523,6244-93-5,,NMEYBPUHJHMRHU-IEXPHMLFSA-J,"InChI=1S/C24H38N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h7,11-13,17-19,23,35-36H,3-6,8-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/p-4/t13-,17-,18-,19+,23-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
M03169,"Insulin-(SS)",X,0,0,0,C00723,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
M03170,"Insulin-(SH)2",X,0,0,0,C02288,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
m12dahglyc,"Monoglucosyl-1,2 dianteisoheptadecanoylglycerol",C43H82O10,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15741,,,NaN,,,,"",
m12dapglyc,"Monoglucosyl-1,2 dianteisopentadecanoylglycerol",C39H74O10,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15744,,,NaN,,,,"",
m12dihglyc,"Monoglucosyl-1,2 diisoheptadecanoylglycerol",C43H82O10,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15740,,,NaN,,,,"",
m12dipglyc,"Monoglucosyl-1,2 diisopentadecanoylglycerol",C39H74O10,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15743,,,NaN,,,,"",
m12ditglyc,"Monoglucosyl-1,2 diisotetradecanoylglycerol",C37H70O10,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15742,,,NaN,,,,"",
m12dixglyc,"Monoglucosyl-1,2 diisohexadecanoylglycerol",C41H78O10,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15745,,,NaN,,,,"",
m12dmglyc,"Monoglucosyl-1,2 dimyristoylglycerol",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15738,,,NaN,,,,"",
m12dpglyc,"Monoglucosyl-1,2 dipalmitoylglycerol",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15737,,,NaN,,,,"",
m12dsglyc,"Monoglucosyl-1,2 distearoylglycerol",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15739,,,NaN,,,,"",
m1mpdol_L,"alpha-D-Mannosyl-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol",C1360H2228N20O270P20,-20,1251.254,1250.53627,C05861,24892766,NaN,HMDB0062446,"",m1mpdol_L,,,NaN,"",m1mpdol__L,"",,,MNXM148043,,NaN,,,LXNPFZYOWOXRQK-WPFSCCOBSA-N,"InChI=1S/C53H92N2O27P2/c1-27(2)13-9-14-28(3)15-10-16-29(4)17-11-18-30(5)19-12-20-31(6)21-22-73-83(69,70)82-84(71,72)81-51-39(55-33(8)61)43(65)47(37(26-59)77-51)78-50-38(54-32(7)60)42(64)48(36(25-58)76-50)79-53-46(68)49(41(63)35(24-57)75-53)80-52-45(67)44(66)40(62)34(23-56)74-52/h13,15,17,19,31,34-53,56-59,62-68H,9-12,14,16,18,20-26H2,1-8H3,(H,54,60)(H,55,61)(H,69,70)(H,71,72)/b28-15+,29-17+,30-19+/t31?,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47-,48-,49+,50+,51-,52-,53+/m1/s1",[H]OC(=N[C@@]1([H])[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N=C(O[H])C([H])([H])[H])[C@@]([H])(OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])O[C@]2([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])[C@]2([H])O[H])[C@]1([H])O[H])C([H])([H])[H]
m1mpdol_U,"Alpha-D-mannosyl-beta-D-mannosyldiacetylchitobiosyldiphosphodolichol",C1305H2140N20O270P20,-20,1251.254,1250.53627,,45259177,NaN,HMDB0062768,"",m1mpdol_U,,,NaN,"",m1mpdol_U,"",,,MNXM10659,,NaN,,,LXNPFZYOWOXRQK-WPFSCCOBSA-N,"InChI=1S/C53H92N2O27P2/c1-27(2)13-9-14-28(3)15-10-16-29(4)17-11-18-30(5)19-12-20-31(6)21-22-73-83(69,70)82-84(71,72)81-51-39(55-33(8)61)43(65)47(37(26-59)77-51)78-50-38(54-32(7)60)42(64)48(36(25-58)76-50)79-53-46(68)49(41(63)35(24-57)75-53)80-52-45(67)44(66)40(62)34(23-56)74-52/h13,15,17,19,31,34-53,56-59,62-68H,9-12,14,16,18,20-26H2,1-8H3,(H,54,60)(H,55,61)(H,69,70)(H,71,72)/b28-15+,29-17+,30-19+/t31?,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47-,48-,49+,50+,51-,52-,53+/m1/s1",[H]OC(=N[C@@]1([H])[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N=C(O[H])C([H])([H])[H])[C@@]([H])(OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])O[C@]2([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])[C@]2([H])O[H])[C@]1([H])O[H])C([H])([H])[H]
m2emgacpail_hs,"(Dimannosyl),(Phosphoethanolaminyl)-Mannosyl-Glucosylaminyl-Acylphosphatidylinositol (H6)",C51H94N2O32P2FULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",m2emgacpail_hs,m2emgacpail_hs,,NaN,"",m2emgacpail_hs,"",,,MNXM5383,,NaN,,,,"",
m2gacpail_hs,"Dimannosyl-Glucosaminyl-Acylphosphatidylinositol (H3)",C43H78NO24PFULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",m2gacpail_hs,m2gacpail_hs,,NaN,"",m2gacpail_hs,"",,,MNXM6251,,NaN,,,,"",
m2mn,"(a-D-mannosyl)2-b-D-mannosyl-N-acetylglucosamine",C26H45NO21,0,707.6296,707.2484075,,53477854,NaN,HMDB0006537,"",m2mn,m2mn,FDB023965,NaN,"",m2mn,"",,,MNXM6014,,NaN,,,ANPUOEHHKRCFGW-NRDBFSGKSA-N,"InChI=1S/C26H45NO21/c1-6(32)27-11-15(36)20(10(5-31)42-23(11)41)46-25-18(39)22(14(35)8(3-29)44-25)48-26-19(40)21(13(34)9(4-30)45-26)47-24-17(38)16(37)12(33)7(2-28)43-24/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10+,11+,12-,13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25+,26+/m0/s1",[H]OC([H])([H])[C@]1([H])O[C@@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3([H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])O[C@]4([H])C([H])([H])O[H])O[C@@]([H])(C([H])([H])O[H])[C@]3([H])O[H])O[C@@]([H])(C([H])([H])O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
m2mpdol_L,"(Alpha-D-Mannosyl)2-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Liver Homolog",C1420H2328N20O320P20,-20,0,0,,NaN,NaN,,"",m2mpdol_L,,,NaN,"",m2mpdol__L,"",,,MNXM147645,,NaN,,,,"",
m2mpdol_U,"(Alpha-D-Mannosyl)2-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Uterine Homolog",C1365H2240N20O320P20,-20,0,0,,NaN,NaN,,"",m2mpdol_U,,,NaN,"",m2mpdol_U,"",,,MNXM9444,,NaN,,,,"",
m3emgacpail_hs,"(Trimannosyl),(Phosphoethanolaminyl)-Mannosyl-Glucosaminyl-Acylphosphatidylinositol (M4C)",C57H104N2O37P2FULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",m3emgacpail_hs,m3emgacpail_hs,,NaN,"",m3emgacpail_hs,"",,,MNXM7949,,NaN,,,,"",
m3gacpail_hs,"Trimannosyl-Glucosaminyl-Acylphosphatidylinositol (H4)",C49H88NO29PFULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",m3gacpail_hs,m3gacpail_hs,,NaN,"",m3gacpail_hs,"",,,MNXM7842,,NaN,,,,"",
m3gacpail_prot_hs,"M3Gacpail Prot Heparan Sulfate",X,0,0,0,,NaN,NaN,,"",,m3gacpail_prot_hs,,NaN,"",,"",,,,,NaN,,,,"",
m3mpdol_L,"(Alpha-D-Mannosyl)3-Beta-D-Mannosyl-Diacetylchitodiphosphodolichol, Human Liver Homolog",C1480H2428N20O370P20,-20,0,0,,NaN,NaN,,"",m3mpdol_L,,,NaN,"",m3mpdol__L,"",,,MNXM147646,,NaN,,,,"",
m3mpdol_U,"(Alpha-D-Mannosyl)3-Beta-D-Mannosyl-Diacetylchitodiphosphodolichol, Human Uterine Homolog",C1425H2340N20O370P20,-20,0,0,,NaN,NaN,,"",m3mpdol_U,,,NaN,"",m3mpdol_U,"",,,MNXM9446,,NaN,,,,"",
m4masn,"(Alpha-D-Mannosyl)4-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine (Protein)",C46H77N2O35X,0,0,0,,NaN,NaN,,"",m4masn,,,NaN,"",m4masn,"",,,MNXM6534,,NaN,,,,"",
m4mpdol_L,"(Alpha-D-Mannosyl)4-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Liver Homolog",C1540H2528N20O420P20,-20,0,0,C05864,NaN,37633,,"",m4mpdol_L,,,NaN,"",m4mpdol__L,"",,,MNXM147337,,NaN,,,HYYPTQKNNHAOBO-HKXZGDFYSA-N,"InChI=1S/C71H122N2O42P2/c1-30(2)13-9-14-31(3)15-10-16-32(4)17-11-18-33(5)19-12-20-34(6)21-22-101-116(96,97)115-117(98,99)114-66-45(73-36(8)81)52(88)60(42(28-79)107-66)109-65-44(72-35(7)80)51(87)61(41(27-78)106-65)110-69-59(95)62(50(86)43(108-69)29-100-67-57(93)53(89)46(82)37(23-74)102-67)111-70-64(56(92)49(85)39(25-76)104-70)113-71-63(55(91)48(84)40(26-77)105-71)112-68-58(94)54(90)47(83)38(24-75)103-68/h13,15,17,19,34,37-71,74-79,82-95H,9-12,14,16,18,20-29H2,1-8H3,(H,72,80)(H,73,81)(H,96,97)(H,98,99)/b31-15+,32-17+,33-19+/t34?,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66-,67+,68-,69+,70-,71-/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
m4mpdol_U,"(Alpha-D-Mannosyl)4-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Uterine Homolog",C1485H2440N20O420P20,-20,0,0,,NaN,NaN,,"",m4mpdol_U,,,NaN,"",m4mpdol_U,"",,,MNXM7931,,NaN,,,HYYPTQKNNHAOBO-POZNVQOCSA-L,"InChI=1S/C71H122N2O42P2/c1-30(2)13-9-14-31(3)15-10-16-32(4)17-11-18-33(5)19-12-20-34(6)21-22-101-116(96,97)115-117(98,99)114-66-45(73-36(8)81)52(88)60(42(28-79)107-66)109-65-44(72-35(7)80)51(87)61(41(27-78)106-65)110-69-59(95)62(50(86)43(108-69)29-100-67-57(93)53(89)46(82)37(23-74)102-67)111-70-64(56(92)49(85)39(25-76)104-70)113-71-63(55(91)48(84)40(26-77)105-71)112-68-58(94)54(90)47(83)38(24-75)103-68/h13,15,17,19,34,37-71,74-79,82-95H,9-12,14,16,18,20-29H2,1-8H3,(H,72,80)(H,73,81)(H,96,97)(H,98,99)/p-2/b31-15+,32-17+,33-19-/t34?,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60-,61-,62+,63+,64+,65+,66-,67+,68+,69+,70-,71-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])[C@]2([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
m5masnB1,"(Alpha-D-Mannosyl)5-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine (Protein)",C52H87N2O40X,0,0,0,,NaN,NaN,,"",m5masnB1,,,NaN,"",m5masnB1,"",,,MNXM6536,,NaN,,,,"",
m5masnB2,"(Alpha-D-Mannosyl)5-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine (Protein)",C52H87N2O40X,0,0,0,,NaN,NaN,,"",m5masnB2,,,NaN,"",m5masnB2,"",,,MNXM9447,,NaN,,,,"",
m5masnC,"(Alpha-D-Mannosyl)5-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine (Protein)",C52H87N2O40X,0,0,0,,NaN,NaN,,"",m5masnC,,,NaN,"",m5masnC,"",,,MNXM7932,,NaN,,,,"",
m5mpdol_L,"(Alpha-D-Mannosyl)5-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Liver Homolog",C1600H2628N20O470P20,-20,0,0,,NaN,NaN,,"",m5mpdol_L,,,NaN,"",m5mpdol__L,"",,,MNXM147647,,NaN,,,,"",
m5mpdol_U,"(Alpha-D-Mannosyl)5-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Uterine Homolog",C1545H2540N20O470P20,-20,0,0,,NaN,NaN,,"",m5mpdol_U,,,NaN,"",m5mpdol_U,"",,,MNXM9449,,NaN,,,,"",
m6masnA,"(Alpha-D-Mannosyl)6-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine (Protein)",C58H97N2O45X,0,0,0,,NaN,NaN,,"",m6masnA,,,NaN,"",m6masnA,"",,,MNXM9451,,NaN,,,,"",
m6masnB1,"(Alpha-D-Mannosyl)6-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine (Protein)",C58H97N2O45X,0,0,0,,NaN,NaN,,"",m6masnB1,,,NaN,"",m6masnB1,"",,,MNXM9450,,NaN,,,,"",
m6masnB2,"(Alpha-D-Mannosyl)6-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine (Protein)",C58H97N2O45X,0,0,0,,NaN,NaN,,"",m6masnB2,,,NaN,"",m6masnB2,"",,,MNXM6538,,NaN,,,,"",
m6masnC,"(Alpha-D-Mannosyl)6-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine (Protein)",C58H97N2O45X,0,0,0,,NaN,NaN,,"",m6masnC,,,NaN,"",m6masnC,"",,,MNXM6537,,NaN,,,,"",
m6mpdol_L,"(Alpha-D-Mannosyl)6-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Liver Homolog",C1660H2728N20O520P20,-20,0,0,,NaN,NaN,,"",m6mpdol_L,,,NaN,"",m6mpdol__L,"",,,MNXM147648,,NaN,,,,"",
m6mpdol_U,"(Alpha-D-Mannosyl)6-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Uterine Homolog",C1605H2640N20O520P20,-20,0,0,,NaN,NaN,,"",m6mpdol_U,,,NaN,"",m6mpdol_U,"",,,MNXM9453,,NaN,,,,"",
m7masnA,"(Alpha-D-Mannosyl)7-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine, Isoform A (Protein)",C64H107N2O50X,0,0,0,,NaN,NaN,,"",m7masnA,,,NaN,"",m7masnA,"",,,MNXM5382,,NaN,,,,"",
m7masnB,"(Alpha-D-Mannosyl)7-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine, Isoform B (Protein)",C64H107N2O50X,0,0,0,,NaN,NaN,,"",m7masnB,,,NaN,"",m7masnB,"",,,MNXM6539,,NaN,,,,"",
m7masnC,"(Alpha-D-Mannosyl)7-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine, Isoform C (Protein)",C64H107N2O50X,0,0,0,,NaN,NaN,,"",m7masnC,,,NaN,"",m7masnC,"",,,MNXM9454,,NaN,,,,"",
m7mpdol_L,"(Alpha-D-Mannosyl)7-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Liver Homolog",C1720H2828N20O570P20,-20,0,0,,NaN,NaN,,"",m7mpdol_L,,,NaN,"",m7mpdol__L,"",,,MNXM147649,,NaN,,,,"",
m7mpdol_U,"(Alpha-D-Mannosyl)7-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Uterine Homolog",C1665H2740N20O570P20,-20,0,0,,NaN,NaN,,"",m7mpdol_U,,,NaN,"",m7mpdol_U,"",,,MNXM9456,,NaN,,,,"",
m8masn,"(Alpha-D-Mannosyl)8-Beta-D-Mannosyl-Diacetylchitobiosyl-L-Asparagine (Protein)",C70H117N2O55X,0,0,0,,NaN,NaN,,"",m8masn,,,NaN,"",m8masn,"",,,MNXM6015,,NaN,,,,"",
m8mpdol_L,"(Alpha-D-Mannosyl)8-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Liver Homolog",C1780H2928N20O620P20,-20,0,0,,NaN,NaN,,"",m8mpdol_L,,,NaN,"",m8mpdol__L,"",,,MNXM147650,,NaN,,,BJWUBPJLKOKNEN-QFDIRLSWSA-N,"InChI=1S/C95H162N2O62P2/c1-34(2)13-9-14-35(3)15-10-16-36(4)17-11-18-37(5)19-12-20-38(6)21-22-138-160(132,133)159-161(134,135)158-86-53(97-40(8)108)64(119)77(49(31-106)147-86)150-85-52(96-39(7)107)63(118)78(48(30-105)146-85)151-91-76(131)80(153-94-84(71(126)60(115)46(28-103)144-94)157-95-83(70(125)59(114)47(29-104)145-95)156-90-74(129)67(122)56(111)43(25-100)141-90)62(117)51(149-91)32-136-87-75(130)79(152-93-82(69(124)58(113)45(27-102)143-93)155-89-73(128)66(121)55(110)42(24-99)140-89)61(116)50(148-87)33-137-92-81(68(123)57(112)44(26-101)142-92)154-88-72(127)65(120)54(109)41(23-98)139-88/h13,15,17,19,38,41-95,98-106,109-131H,9-12,14,16,18,20-33H2,1-8H3,(H,96,107)(H,97,108)(H,132,133)(H,134,135)/b35-15+,36-17+,37-19+/t38?,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77-,78-,79+,80+,81+,82+,83+,84+,85+,86-,87+,88-,89-,90-,91+,92+,93-,94-,95-/m1/s1",[H]OC(=N[C@@]1([H])[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N=C(O[H])C([H])([H])[H])[C@@]([H])(OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])O[C@]2([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[C@@]3([H])O[C@]([H])(C([H])([H])O[C@@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[C@@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[C@@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[H])[C@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])[C@]2([H])O[H])[C@]1([H])O[H])C([H])([H])[H]
m8mpdol_U,"(Alpha-D-Mannosyl)8-Beta-D-Mannosyl-Diacetylchitobiosyldiphosphodolichol, Human Uterine Homolog",C1725H2840N20O620P20,-20,0,0,,NaN,NaN,,"",m8mpdol_U,,,NaN,"",m8mpdol_U,"",,,MNXM9458,,NaN,,,BJWUBPJLKOKNEN-QFDIRLSWSA-N,"InChI=1S/C95H162N2O62P2/c1-34(2)13-9-14-35(3)15-10-16-36(4)17-11-18-37(5)19-12-20-38(6)21-22-138-160(132,133)159-161(134,135)158-86-53(97-40(8)108)64(119)77(49(31-106)147-86)150-85-52(96-39(7)107)63(118)78(48(30-105)146-85)151-91-76(131)80(153-94-84(71(126)60(115)46(28-103)144-94)157-95-83(70(125)59(114)47(29-104)145-95)156-90-74(129)67(122)56(111)43(25-100)141-90)62(117)51(149-91)32-136-87-75(130)79(152-93-82(69(124)58(113)45(27-102)143-93)155-89-73(128)66(121)55(110)42(24-99)140-89)61(116)50(148-87)33-137-92-81(68(123)57(112)44(26-101)142-92)154-88-72(127)65(120)54(109)41(23-98)139-88/h13,15,17,19,38,41-95,98-106,109-131H,9-12,14,16,18,20-33H2,1-8H3,(H,96,107)(H,97,108)(H,132,133)(H,134,135)/b35-15+,36-17+,37-19+/t38?,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77-,78-,79+,80+,81+,82+,83+,84+,85+,86-,87+,88-,89-,90-,91+,92+,93-,94-,95-/m1/s1",[H]OC(=N[C@@]1([H])[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N=C(O[H])C([H])([H])[H])[C@@]([H])(OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])O[C@]2([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[C@@]3([H])O[C@]([H])(C([H])([H])O[C@@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[C@@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[C@@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]4([H])O[H])[C@]3([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])[C@]2([H])O[H])[C@]1([H])O[H])C([H])([H])[H]
madg,"Alpha-Methyl-D-glucoside",C7H14O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",madg,"",,cpd15584,MNXM61741,,NaN,,,,"",
mag_hs,"Monoacylglycerol 2",C3H7O2FULLR2CO2,0,0,0,,NaN,NaN,,"",mag_hs,mag_hs,,NaN,"",mag_hs,"",,,MNXM6332,,NaN,,,,"",[H]OC([H])([H])C([H])(OC([*])=O)C([H])([H])O[H]
magarachi_hs,"1-Arachidonoyl Glycerol",C23H38O4,0,378.5454407,378.2770097,,NaN,NaN,,"",,magarachi_hs,,NaN,"",,"",,,,,NaN,129691-05-0,DTXSID20276149,DCPCOKIYJYGMDN-CDIMZWLNSA-N,"InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15?",[H]OC([H])([H])C([H])(O[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
maglinl_hs,"1-Linoleoylglycerol",C21H38O4,0,0,0,,NaN,NaN,,"",,maglinl_hs,,NaN,"",,"",,,,,NaN,,,WECGLUPZRHILCT-GSNKCQISSA-N,"InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-/t20-/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
magole_hs,"1-Oleoylglycerol",C21H40O4,0,356.5469971,356.2926598,,NaN,NaN,,"",,magole_hs,,NaN,"",,"",,,,C00040790,NaN,111-03-5,DTXSID3042003,RZRNAYUHWVFMIP-KTKRTIGZSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-",[H]OC([H])([H])C([H])(O[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
magpalm_hs,"1-Palmitoylglycerol",C19H38O4,0,0,0,,NaN,NaN,,"",,magpalm_hs,,NaN,"",,"",,,,,NaN,,,QHZLMUACJMDIAE-UHFFFAOYSA-N,"InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3",[H]OC([H])([H])C([H])(O[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
magste_hs,"1-Stearoylglycerol",C21H42O4,0,0,0,,NaN,NaN,,"",,magste_hs,,NaN,"",,"",,,,,NaN,,,VBICKXHEKHSIBG-UHFFFAOYSA-N,"InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3",[H]OC([H])([H])C([H])(O[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
mal_D,"D-Malate",C4H4O5,-2,0,0,,NaN,NaN,HMDB0031518,"",,,,NaN,"",mal__D,"",,cpd00386,MNXM1608,,NaN,,,,"",
mal_L,"L-Malic acid",C4H4O5,-2,134.0874,134.0215233,C00149,222656,30797,HMDB0000156,"",mal_L,mal_L,FDB001044,193317,"",mal__L,"Apple acid",,cpd00130,MNXM98,C00001192,NaN,97-67-6,DTXSID30273987,BJEPYKJPYRNKOW-REOHCLBHSA-L,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/p-2/t2-/m0/s1",[H]O[C@]([H])(C([O-])=O)C([H])([H])C([O-])=O
malACP,"Malonyl-[Acyl-Carrier Protein]",C14H22N2O10PRS,-2,0,0,C01209,NaN,NaN,,"",malACP,,,NaN,"",malACP,"",,cpd11492,MNXM184,,NaN,,,,"",[H]OC(=O)C([H])([H])C(=O)S[*]
malcoa,"Malonyl-CoA",C24H33N7O19P3S,-5,853.58,853.1156023,C00083,10663,15531,HMDB0001175,"malonyl-CoA",malcoa,malcoa,FDB001606,10213,"MALONYL-COA",malcoa,"Malonyl-CoA",,cpd00070,MNXM40,C00007260,6056,524-14-1,,LTYOQGRJFJAKNA-DVVLENMVSA-I,"InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/p-5/t12-,17-,18-,19+,23-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
malcoam,"Malonyl-CoA methyl ester",C25H36N7O19P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
malt,"D-Maltose",C12H22O11,0,342.2965,342.1162115,C00208,10991489,47937,HMDB0000163,"",malt,malt,FDB001193,9166684,"MALTOSE",malt,"Malt sugar",DBMET00495,cpd00179,MNXM165,C00001140,413,69-79-4,DTXSID1023233,GUBGYTABKSRVRQ-PICCSMPSSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])(O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
malt6p,"Maltose 6-phosphate",C12H21O14P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",malt6p,"",,cpd01919,MNXM2394,,NaN,,,,"",
malthp,"Maltoheptaose",C42H72O36,0,0,0,,NaN,NaN,HMDB0013000,"",malthp,malthp,,NaN,"",malthp,"",,cpd15494,MNXM61025,,NaN,,,BNABBHGYYMZMOA-QJBBZCPBSA-N,"InChI=1S/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36?,37-,38-,39-,40-,41-,42-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]7([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])(O[H])O[C@]7([H])C([H])([H])O[H])O[C@]6([H])C([H])([H])O[H])O[C@]5([H])C([H])([H])O[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
malthx,"Maltohexaose",C36H62O31,0,0,0,,439606,NaN,HMDB0012253,"",malthx,malthx,,NaN,"",malthx,"",,cpd01329,MNXM1317,,NaN,,,OCIBBXPLUVYKCH-LIGGPISVSA-N,"InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31?,32-,33-,34-,35-,36-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]6([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])(O[H])O[C@]6([H])C([H])([H])O[H])O[C@]5([H])C([H])([H])O[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
maltpt,"Maltopentaose",C30H52O26,0,0,0,,13489094,NaN,HMDB0012254,"",maltpt,maltpt,,NaN,"",maltpt,"",,cpd15495,MNXM1538,,NaN,,,FTNIPWXXIGNQQF-HZWIHCTQSA-N,"InChI=1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26?,27-,28-,29-,30-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])(O[H])O[C@]5([H])C([H])([H])O[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
malttr,"Maltotriose",C18H32O16,0,504.4371,504.169035,C01835,439586,27931,HMDB0001262,"",malttr,malttr,FDB001196,388669,"MALTOTRIOSE",malttr,"Maltotriose",DBMET00523,cpd01262,MNXM468,,3585,1109-28-0,DTXSID6048963,FYGDTMLNYKFZSV-PXXRMHSHSA-N,"InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
maltttr,"Maltotetraose",C24H42O21,0,0,0,,439639,NaN,HMDB0001296,"",maltttr,maltttr,,NaN,"",maltttr,"",,cpd01399,MNXM5663,,NaN,,,LUEWUZLMQUOBSB-AYQJAVFRSA-N,"InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22-,23-,24-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])(O[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
malylcoa,"Malyl-CoA (iSO783)",C25H36N7O20P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd02662,,,NaN,,,,"",
man,"D-Mannose",C6H12O6,0,180.1559,180.0633881,C00159,18950,4208,HMDB0000169,"D-mannose",man,man,FDB001202,17893,"MANNOSE",man,"D-Mannose",,cpd00138,MNXM182,C00050441,NaN,3458-28-4,DTXSID5040463,WQZGKKKJIJFFOK-QTVWNMPRSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
man1p,"D-Mannose 1-phosphate",C6H11O9P,-2,260.1358,260.0297185,C00636,644175,35374,HMDB0006330,"",man1p,man1p,FDB023892,559210,"MANNOSE-1P",man1p,"Man-1-P",,cpd00485,MNXM721,,6245,27251-84-9,,HXXFSFRBOHSIMQ-JFNONXLTSA-L,"InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5+,6?/m0/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(OP([O-])([O-])=O)[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
man6p,"Mannose 6-phosphate",C6H11O9P,-2,260.1358,260.0297185,C00275,439198,49728,HMDB0001078,"D-mannose 6-phosphate",man6p,man6p,FDB022411,388338,"MANNOSE-6P",man6p,"Mannose 6-phosphate",,cpd00235,MNXM427,C00007307,5987,3672-15-9,,NBSCHQHZLSJFNQ-RWOPYEJCSA-L,"InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5+,6-/m1/s1",[H]O[C@]1([H])O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H]
mana,"D-Mannonate",C6H11O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",mana,"",,cpd00403,MNXM1045,,NaN,,,,"",
mannan,"Alpha-mannan, yeast, has a MW of about 25000 (PMID: 5461381), equals ~ 140 mannose units. ID according to iMM904",C840H1402O701,0,0,0,,NaN,NaN,,"",,,,NaN,"",mannan,"",,,MNXM2020,,NaN,,,,"",
mantr,"Mannotriose (beta-1,4)",C18H32O16,0,0,0,,NaN,NaN,,"",,,,NaN,"",mantr,"",,cpd03200,MNXM147143,,NaN,,,,"",
mbdg,"Beta-Methylglucoside",C7H14O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",mbdg,"",,cpd15585,MNXM10816,,NaN,,,,"",
mcom,"Methyl Coenzyme M",C3H7O3S2,-1,0,0,C03920,6649,17827,,"",,,,NaN,"",mcom,"",,cpd02438,MNXM671,,63902,,,,"InChI=1S/C3H8O3S2/c1-7-2-3-8(4,5)6/h2-3H2,1H3,(H,4,5,6)",
mcrea,"M-Cresotic acid",C8H7O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd09806,,,NaN,,,,"",
mdz,"Midazolam",C18H13ClFN3,0,325.769989,325.0782033,D00550,4192,6931,HMDB0014821,"",,,,4047,"",,"Midazolam",DB00683,,,,NaN,59467-70-8,DTXSID5023320,DDLIGBOFAVUZHB-UHFFFAOYSA-N,"",
mdzglc,"Midazolam-Glucuronide",C24H21ClFN3O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
mecfsp,"Methylcorrinoid iron sulfur protein",C20H3CoN4R21,1,0,0,C06020,NaN,NaN,,"",,,,NaN,"",mecfsp,"",,,MNXM148349,,NaN,,,,"",
melanin,"Melanin",C9H6NO4,-1,318.283,318.0640568,C05606,6325610,NaN,HMDB0004068,"",melanin,melanin,FDB023298,4884931,"MELANIN",melanin,"Melanin",,,MNXM92454,,7011,8049-97-6,,XUMBMVFBXHLACL-UHFFFAOYSA-N,"InChI=1S/C18H10N2O4/c1-5-13-9-7(3-19-13)12-10-8(11(9)17(23)15(5)21)4-20-14(10)6(2)16(22)18(12)24/h3-4,19-20H,1-2H3",[H]N1C([H])=C2C3=C(C4=C([H])N([H])C5=C(C(=O)C(=O)C2=C45)C([H])([H])[H])C(=O)C(=O)C(=C13)C([H])([H])[H]
melatn,"Melatonin",C13H16N2O2,0,232.2783,232.1211778,C01598,896,16796,HMDB0001389,"",melatn,melatn,FDB004234,872,"N-ACETYL-5-METHOXY-TRYPTAMINE",melatn,"Melatonin",DB01065,,MNXM162972,C00052006,73,73-31-4,DTXSID1022421,DRLFMBDRBRZALE-UHFFFAOYSA-N,"InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)",[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C(OC([H])([H])[H])C([H])=C12
melib,"TG(18:4(6Z,9Z,12Z,15Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",C12H22O11,0,899.395,898.7050407,,NaN,NaN,HMDB0055419,"",,,,NaN,"",melib,"",,cpd03198,MNXM1434,,NaN,,,KDEWWQZHBSXNPX-XGZCLZEASA-N,"",
melt,"Melilotate",C9H9O3,-1,0,0,,NaN,NaN,HMDB0033752,"",,,,NaN,"",melt,"",,cpd00882,MNXM61338,,NaN,,,,"",
mem2emgacpail_hs,"({[(Mannosyl),(Phosphoethanolaminyl)]-Dimannosyl},{Phosphoethanolaminyl})-Mannosyl-Glucosaminyl-Acylphosphatidylinositol (M4B) (Mem2Emgacpail Heparan Sulfate)",C59H110N3O40P3FULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",mem2emgacpail_hs,mem2emgacpail_hs,,NaN,"",mem2emgacpail_hs,"",,,MNXM6024,,NaN,,,,"",
mem2emgacpail_prot_hs,"({[(mannosyl),(phosphoethanolaminyl)]-dimannosyl},{phosphoethanolaminyl})-mannosyl-glucosaminyl-acylphosphatidylinositol-Protein (M4B)",C59H110N3O40P3FULLRCO2FULLR2CO2X,0,0,0,,NaN,NaN,,"",mem2emgacpail_prot_hs,mem2emgacpail_prot_hs,,NaN,"",mem2emgacpail_prot_hs,"",,,MNXM13802,,NaN,,,,"",
memgacpail_hs,"(Mannosyl),(Phosphoethanolaminyl)-Mannosyl-Glucosylaminyl-Acylphosphatidylinositol (B)",C45H84N2O27P2FULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",memgacpail_hs,memgacpail_hs,,NaN,"",memgacpail_hs,"",,,MNXM6017,,NaN,,,,"",
meoh,"Methanol",CH4O1,0,32.0419,32.02621475,C00132,887,17790,HMDB0001875,"",meoh,meoh,FDB008124,864,"3-OH-BENZYL-ALCOHOL",meoh,"Methanol",DBMET00536,cpd00116,MNXM157,C00050480,4201,67-56-1,DTXSID2021731,OKKJLVBELUTLKV-UHFFFAOYSA-N,"InChI=1S/CH4O/c1-2/h2H,1H3",[H]OC([H])([H])[H]
mepi,"Metanephrine",C10H16NO3,1,197.231,197.1051934,C05588,21100,144365,HMDB0004063,"",mepi,mepi,FDB023296,19844,"",mepi,"Metanephrine",,,MNXM91238,,65,5001-33-2,,JWJCTZKFYGDABJ-VIFPVBQESA-O,"InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3/p+1/t9-/m0/s1",[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])[C@@]([H])(O[H])C([H])([H])[N+]([H])([H])C([H])([H])[H]
meracmp,"Acetaminophen-Mercapturate-Conjugate/N-Acetyl-Cysteine-Acetaminophen",C13H15N2O5S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
mercplac,"3-Mercaptolactic acid",C3H5O3S,-1,122.143,122.0037647,C05823,160645,NaN,HMDB0002127,"",mercplac,mercplac,FDB022856,141158,"",mercplac,"",,cpd03455,MNXM91416,,6499,2614-83-7,,OLQOVQTWRIJPRE-REOHCLBHSA-M,"InChI=1S/C3H6O3S/c4-2(1-7)3(5)6/h2,4,7H,1H2,(H,5,6)/p-1/t2-/m0/s1",[H]O[C@]([H])(C([O-])=O)C([H])([H])S[H]
mercplaccys,"3-Mercaptolactate-cysteine disulfide",C6H10O5S2N,-1,241.285,241.0078638,,193536,NaN,HMDB0006512,"",mercplaccys,mercplaccys,FDB023951,167948,"",mercplaccys,"",,,MNXM10053,,NaN,18841-42-4,,MAFDYIDMXCXBRB-WUCPZUCCSA-M,"InChI=1S/C6H11NO5S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4,8H,1-2,7H2,(H,9,10)(H,11,12)/p-1/t3-,4?/m0/s1",[H]OC([H])(C([O-])=O)C([H])([H])SSC([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
mercppyr,"3-Mercaptopyruvic acid",C3H3O3S,-1,120.127,119.9881147,C00957,98,16208,HMDB0001368,"",mercppyr,mercppyr,FDB021862,96,"3-MERCAPTO-PYRUVATE",mercppyr,"",,cpd00706,MNXM1214,C00007464,6195,2464-23-5,,OJOLFAIGOXZBCI-UHFFFAOYSA-M,"InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)/p-1",[H]SC([H])([H])C(=O)C([O-])=O
mescoa,"Mesaconyl-CoA",C26H35N7O19P3S,-5,879.618,879.1312524,C06028,11966166,27969,HMDB0060124,"",mescoa,mescoa,,10140159,"CPD-9408",mescoa,"",,cpd03589,MNXM163428,,NaN,,,LVBVWNJPMXCQJE-CBBDEUQJSA-I,"InChI=1S/C26H40N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h8,11-12,14,18-20,24,37-38H,4-7,9-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/b13-8+/t14-,18-,19-,20+,24-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(=C(/[H])C([O-])=O)\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
mescon,"Mesaconic acid",C5H4O4,-2,130.0987,130.0266087,C01732,638129,16600,HMDB0000749,"",mescon,mescon,FDB022221,10289044,"",mescon,"Mesaconic acid",,,MNXM164911,C00051539,4130,498-24-8,DTXSID10883407,HNEGQIOMVPPMNR-NSCUHMNNSA-L,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/p-2/b3-2+",[H]\C(C([O-])=O)=C(/C([O-])=O)C([H])([H])[H]
met_D,"D-Methionine",C5H10NO2S,0,0,0,,3292996,82916,,"",,,,NaN,"",met__D,"",,cpd00637,MNXM1275,,NaN,,,,"",
met_L,"L-Methionine",C5H11NO2S,0,149.211,149.0510493,C00073,6137,16643,HMDB0000696,"",met_L,met_L,FDB012683,5907,"MET",met__L,"MET",DBMET00506,cpd00060,MNXM61,C00001379,5664,63-68-3,DTXSID5040548,FFEARJCKVFRZRR-BYPYZUCNSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",[H]C([H])([H])SC([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
metala,"L-methionyl-L-alanine",C8H16N2O3S,0,0,0,,NaN,74394,,"",,,,NaN,"",,"",,cpd11590,,,NaN,,,,"InChI=1S/C8H16N2O3S/c1-5(8(12)13)10-7(11)6(9)3-4-14-2/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1",
metargleu,"Methionyl-Arginyl-Leucine",C17H35N6O4S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WDTLNWHPIPCMMP-XQQFMLRXSA-O,"InChI=1S/C17H34N6O4S/c1-10(2)9-13(16(26)27)23-15(25)12(5-4-7-21-17(19)20)22-14(24)11(18)6-8-28-3/h10-13H,4-9,18H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)(H4,19,20,21)/p+1/t11-,12+,13-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
metasntyr,"Methionyl-Asparaginyl-Tyrosine",C18H26N4O6S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HKRYNJSKVLZIFP-MJBXVCDLSA-N,"InChI=1S/C18H26N4O6S/c1-29-7-6-12(19)16(25)21-13(9-15(20)24)17(26)22-14(18(27)28)8-10-2-4-11(23)5-3-10/h2-5,12-14,23H,6-9,19H2,1H3,(H2,20,24)(H,21,25)(H,22,26)(H,27,28)/t12-,13+,14-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
metglntyr,"Methionyl-Glutaminyl-Tyrosine",C19H28N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,QMIXOTQHYHOUJP-KKUMJFAQSA-N,"InChI=1S/C19H28N4O6S/c1-30-9-8-13(20)17(26)22-14(6-7-16(21)25)18(27)23-15(19(28)29)10-11-2-4-12(24)5-3-11/h2-5,13-15,24H,6-10,20H2,1H3,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)/t13-,14-,15-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
metglyarg,"Methionyl-Glycyl-Arginine",C13H27N6O4S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,FYRUJIJAUPHUNB-IUCAKERBSA-O,"InChI=1S/C13H26N6O4S/c1-24-6-4-8(14)11(21)18-7-10(20)19-9(12(22)23)3-2-5-17-13(15)16/h8-9H,2-7,14H2,1H3,(H,18,21)(H,19,20)(H,22,23)(H4,15,16,17)/p+1/t8-,9-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
methf,"5,10-Methenyltetrahydrofolic acid",C20H20N7O6,-1,455.424,455.1553314,C00445,644350,15636,HMDB0001354,"",methf,methf,FDB022573,559356,"5,10-methenyl-thf",methf,"",,cpd00347,MNXM511,C00019687,6185,7444-29-3,,MEANFMOQMXYMCT-QWHCGFSZSA-M,"InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p-1/t12-,13+/m0/s1",[H]OC1=NC(=NC2=C1[N+]1=C([H])N(C3=C([H])C([H])=C(C([H])=C3[H])C(=O)N([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[C@@]1([H])C([H])([H])N2[H])N([H])[H]
methislys,"Methionyl-Histidyl-Lysine",C17H31N6O4S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DYTWOWJWJCBFLE-MELADBBJSA-O,"InChI=1S/C17H30N6O4S/c1-28-7-5-12(19)15(24)23-14(8-11-9-20-10-21-11)16(25)22-13(17(26)27)4-2-3-6-18/h9-10,12-14H,2-8,18-19H2,1H3,(H,20,21)(H,22,25)(H,23,24)(H,26,27)/p+1/t12-,13-,14+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
methsucc,"Methyl-Succinate",C5H6O4,-2,0,0,,NaN,NaN,,"",,methsucc,,NaN,"",,"",,,,,NaN,,,WXUAQHNMJWJLTG-UHFFFAOYSA-L,"InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/p-2",[H]C([H])([H])C([H])(C([O-])=O)C([H])([H])C([O-])=O
methsuccoa,"Methyl-Succinyl Coenzyme A",C26H37N7O19P3S,-5,0,0,,NaN,NaN,,"",,methsuccoa,,NaN,"",,"",,,,,NaN,,,OUFHQHVVFSERRI-VKBDFPRVSA-I,"InChI=1S/C26H42N7O19P3S/c1-13(8-16(35)36)25(40)56-7-6-28-15(34)4-5-29-23(39)20(38)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(37)24(50-14)33-12-32-17-21(27)30-11-31-22(17)33/h11-14,18-20,24,37-38H,4-10H2,1-3H3,(H,28,34)(H,29,39)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/t13-,14+,18+,19+,20-,24+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
metmetile,"Methionyl-Methionyl-Isoleucine",C16H31N3O4S2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LLKWSEXLNFBKIF-CMOBGSAGSA-N,"InChI=1S/C16H31N3O4S2/c1-5-10(2)13(16(22)23)19-15(21)12(7-9-25-4)18-14(20)11(17)6-8-24-3/h10-13H,5-9,17H2,1-4H3,(H,18,20)(H,19,21)(H,22,23)/t10?,11-,12+,13?/m0/s1",[H]OC(=O)C([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
metphearg,"Methionyl-Phenylalanyl-Arginine",C20H33N6O4S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LNXGEYIEEUZGGH-HRCADAONSA-O,"InChI=1S/C20H32N6O4S/c1-31-11-9-14(21)17(27)26-16(12-13-6-3-2-4-7-13)18(28)25-15(19(29)30)8-5-10-24-20(22)23/h2-4,6-7,14-16H,5,8-12,21H2,1H3,(H,25,28)(H,26,27)(H,29,30)(H4,22,23,24)/p+1/t14-,15-,16+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
metsox_R_L,"L-methionine-R-sulfoxide",C5H11NO3S,0,0,0,,57392327,58773,,"",,,,NaN,"",,"",,cpd11576,,,NaN,,,,"",
metsox_S_L,"L-Methionine Sulfoxide",C5H11NO3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd01914,,,NaN,,,,"",
mettrpphe,"Methionyl-Tryptophanyl-Phenylalanine",C25H30N4O4S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HMEVNCOJHJTLNB-NNWRFLSQSA-N,"InChI=1S/C25H30N4O4S/c1-34-12-11-19(26)23(30)28-21(14-17-15-27-20-10-6-5-9-18(17)20)24(31)29-22(25(32)33)13-16-7-3-2-4-8-16/h2-10,15,19,21-22,27H,11-14,26H2,1H3,(H,28,30)(H,29,31)(H,32,33)/t19-,21+,22-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
mev_R,"Mevalonic acid",C6H11O4,-1,148.1571,148.0735589,C00418,449,25351,HMDB0000227,"",mev_R,mev_R,FDB005126,436,"MEVALONATE",mev__R,"Mevalonic acid",,cpd00332,MNXM333,C00001195,127,150-97-0,DTXSID50415347,KJTLQQUUPVSXIM-ZCFIWIBFSA-M,"InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1",[H]OC([H])([H])C([H])([H])[C@](O[H])(C([H])([H])[H])C([H])([H])C([O-])=O
mfur,"Methanofuran",C34H40N4O15,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd00643,,,NaN,,,,"",
mg2,"Magnesium",Mg,2,24.305,23.9850417,,NaN,NaN,HMDB0000547,"",,,,NaN,"",mg2,"",,cpd00254,MNXM653,,NaN,7439-95-4,DTXSID0049658,JLVVSXFLKOJNIY-UHFFFAOYSA-N,"InChI=1S/Mg/q+2",
mgacpail_hs,"Mannosyl-Glucosaminyl-Acylphosphatidylinositiol (H2)",C37H68NO19PFULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",mgacpail_hs,mgacpail_hs,,NaN,"",mgacpail_hs,"",,,MNXM6329,,NaN,,,,"",
MGlcn10,"mucin-type O-glycan No 10",C44H69N4O31X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn10_rl,"released mucin-type O-glycan No 10",C44H70N4O32,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn100,"mucin-type O-glycan No 100",C61H99N5O43X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn100_rl,"released mucin-type O-glycan No 100",C61H100N5O44,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn101,"mucin-type O-glycan No 101",C69H112N6O48X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn101_rl,"released mucin-type O-glycan No 101",C69H113N6O49,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn102,"mucin-type O-glycan No 102",C80H128N7O56X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn102_rl,"released mucin-type O-glycan No 102",C80H129N7O57,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn103,"mucin-type O-glycan No 103",C88H141N8O61X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn103_rl,"released mucin-type O-glycan No 103",C88H142N8O62,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn104,"mucin-type O-glycan No 104",C46H77N2O34X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn104_rl,"released mucin-type O-glycan No 104",C46H78N2O35,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn105,"mucin-type O-glycan No 105",C46H77N2O34X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn105_rl,"released mucin-type O-glycan No 105",C46H78N2O35,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn106,"mucin-type O-glycan No 106",C54H90N3O39X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn106_rl,"released mucin-type O-glycan No 106",C54H91N3O40,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn107,"mucin-type O-glycan No 107",C54H90N3O39X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn107_rl,"released mucin-type O-glycan No 107",C54H91N3O40,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn108,"mucin-type O-glycan No 108",C42H70N3O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn108_rl,"released mucin-type O-glycan No 108",C42H71N3O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn109,"mucin-type O-glycan No 109",C36H60N3O25X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn109_rl,"released mucin-type O-glycan No 109",C36H61N3O26,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn110,"mucin-type O-glycan No 110",C36H60N3O25X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn110_rl,"released mucin-type O-glycan No 110",C36H61N3O26,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn111,"mucin-type O-glycan No 111",C34H57N2O25X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn111_rl,"released mucin-type O-glycan No 111",C34H58N2O26,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn112,"mucin-type O-glycan No 112",C34H57N2O25X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn112_rl,"released mucin-type O-glycan No 112",C34H58N2O26,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn113,"mucin-type O-glycan No 113",C42H70N3O30X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn113_rl,"released mucin-type O-glycan No 113",C42H71N3O31,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn114,"mucin-type O-glycan No 114",C40H67N2O30X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn114_rl,"released mucin-type O-glycan No 114",C40H68N2O31,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn115,"mucin-type O-glycan No 115",C48H80N3O35X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn115_rl,"released mucin-type O-glycan No 115",C48H81N3O36,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn116,"mucin-type O-glycan No 116",C33H53N3O23X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn116_rl,"released mucin-type O-glycan No 116",C33H54N3O24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn117,"mucin-type O-glycan No 117",C39H63N3O28X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn117_rl,"released mucin-type O-glycan No 117",C39H64N3O29,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn118,"mucin-type O-glycan No 118",C53H86N4O37X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn118_rl,"released mucin-type O-glycan No 118",C53H87N4O38,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn119,"mucin-type O-glycan No 119",C53H86N4O37X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn119_rl,"released mucin-type O-glycan No 119",C53H87N4O38,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn12,"mucin-type O-glycan No 12",C22H37N2O15X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn12_rl,"released mucin-type O-glycan No 12",C22H38N2O16,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn120,"mucin-type O-glycan No 120",C47H76N4O33X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn120_rl,"released mucin-type O-glycan No 120",C47H77N4O34,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn121,"mucin-type O-glycan No 121",C61H99N5O42X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn121_rl,"released mucin-type O-glycan No 121",C61H100N5O43,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn122,"mucin-type O-glycan No 122",C61H99N5O42X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn122_rl,"released mucin-type O-glycan No 122",C61H100N5O43,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn123,"mucin-type O-glycan No 123",C55H89N5O38X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn123_rl,"released mucin-type O-glycan No 123",C55H90N5O39,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn124,"mucin-type O-glycan No 124",C55H89N5O38X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn124_rl,"released mucin-type O-glycan No 124",C55H90N5O39,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn126,"mucin-type O-glycan No 126",C61H99N5O43X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn126_rl,"released mucin-type O-glycan No 126",C61H100N5O44,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn127,"mucin-type O-glycan No 127",C75H122N6O52X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn127_rl,"released mucin-type O-glycan No 127",C75H123N6O53,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn128,"mucin-type O-glycan No 128",C75H122N6O52X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn128_rl,"released mucin-type O-glycan No 128",C75H123N6O53,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn129,"mucin-type O-glycan No 129",C75H122N6O52X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn129_rl,"released mucin-type O-glycan No 129",C75H123N6O53,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn13,"mucin-type O-glycan No 13",C30H50N3O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn13_rl,"released mucin-type O-glycan No 13",C30H51N3O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn130,"mucin-type O-glycan No 130",C69H112N6O48X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn130_rl,"released mucin-type O-glycan No 130",C69H113N6O49,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn131,"mucin-type O-glycan No 131",C69H112N6O48X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn131_rl,"released mucin-type O-glycan No 131",C69H113N6O49,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn132,"mucin-type O-glycan No 132",C69H112N6O48X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn132_rl,"released mucin-type O-glycan No 132",C69H113N6O49,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn133,"mucin-type O-glycan No 133",C83H135N7O57X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn133_rl,"released mucin-type O-glycan No 133",C83H136N7O58,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn134,"mucin-type O-glycan No 134",C83H135N7O57X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn134_rl,"released mucin-type O-glycan No 134",C83H136N7O58,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn135,"mucin-type O-glycan No 135",C77H125N7O53X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn135_rl,"released mucin-type O-glycan No 135",C77H126N7O54,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn136,"mucin-type O-glycan No 136",C77H125N7O53X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn136_rl,"released mucin-type O-glycan No 136",C77H126N7O54,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn137,"mucin-type O-glycan No 137",C34H57N2O24X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn137_rl,"released mucin-type O-glycan No 137",C34H58N2O25,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn138,"mucin-type O-glycan No 138",C34H57N2O24X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn138_rl,"released mucin-type O-glycan No 138",C34H58N2O25,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn139,"mucin-type O-glycan No 139",C34H57N2O24X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn139_rl,"released mucin-type O-glycan No 139",C34H58N2O25,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn14,"mucin-type O-glycan No 14",C36H60N3O25X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn14_rl,"released mucin-type O-glycan No 14",C36H61N3O26,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn140,"mucin-type O-glycan No 140",C34H57N2O24X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn140_rl,"released mucin-type O-glycan No 140",C34H58N2O25,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn141,"mucin-type O-glycan No 141",C28H47N2O19X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn141_rl,"released mucin-type O-glycan No 141",C28H48N2O20,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn142,"mucin-type O-glycan No 142",C28H47N2O19X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn142_rl,"released mucin-type O-glycan No 142",C28H48N2O20,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn143,"mucin-type O-glycan No 143",C28H47N2O19X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn143_rl,"released mucin-type O-glycan No 143",C28H48N2O20,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn144,"mucin-type O-glycan No 144",C28H47N2O19X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn144_rl,"released mucin-type O-glycan No 144",C28H48N2O20,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn145,"mucin-type O-glycan No 145",C34H57N2O23X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn145_rl,"released mucin-type O-glycan No 145",C34H58N2O24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn146,"mucin-type O-glycan No 146",C34H57N2O23X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn146_rl,"released mucin-type O-glycan No 146",C34H58N2O24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn147,"mucin-type O-glycan No 147",C33H53N3O23X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn147_rl,"released mucin-type O-glycan No 147",C33H54N3O24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn148,"mucin-type O-glycan No 148",C22H37N2O15X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn148_rl,"released mucin-type O-glycan No 148",C22H38N2O16,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn149,"mucin-type O-glycan No 149",C36H60N3O24X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn149_rl,"released mucin-type O-glycan No 149",C36H61N3O25,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn15,"mucin-type O-glycan No 15",C50H83N4O34X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn15_rl,"released mucin-type O-glycan No 15",C50H84N4O35,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn150,"mucin-type O-glycan No 150",C41H66N4O28X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn150_rl,"released mucin-type O-glycan No 150",C41H67N4O29,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn151,"mucin-type O-glycan No 151",C41H66N4O28X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn151_rl,"released mucin-type O-glycan No 151",C41H67N4O29,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn152,"mucin-type O-glycan No 152",C52H82N5O36X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn152_rl,"released mucin-type O-glycan No 152",C52H83N5O37,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn153,"mucin-type O-glycan No 153",C30H50N3O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn153_rl,"released mucin-type O-glycan No 153",C30H51N3O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn154,"mucin-type O-glycan No 154",C30H50N3O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn154_rl,"released mucin-type O-glycan No 154",C30H51N3O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn155,"mucin-type O-glycan No 155",C36H60N3O24X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn155_rl,"released mucin-type O-glycan No 155",C36H61N3O25,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn156,"mucin-type O-glycan No 156",C30H50N3O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn156_rl,"released mucin-type O-glycan No 156",C30H51N3O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn157,"mucin-type O-glycan No 157",C40H67N2O28X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn157_rl,"released mucin-type O-glycan No 157",C40H68N2O29,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn158,"mucin-type O-glycan No 158",C28H47N2O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn158_rl,"released mucin-type O-glycan No 158",C28H48N2O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn159,"mucin-type O-glycan No 159",C28H47N2O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn159_rl,"released mucin-type O-glycan No 159",C28H48N2O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn16,"mucin-type O-glycan No 16",C52H86N5O35X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn16_rl,"released mucin-type O-glycan No 16",C52H87N5O36,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn160,"mucin-type O-glycan No 160",C28H47N2O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn160_rl,"released mucin-type O-glycan No 160",C28H48N2O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn161,"mucin-type O-glycan No 161",C42H70N3O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn161_rl,"released mucin-type O-glycan No 161",C42H71N3O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn162,"mucin-type O-glycan No 162",C67H109N5O47X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn162_rl,"released mucin-type O-glycan No 162",C67H110N5O48,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn163,"mucin-type O-glycan No 163",C36H60N3O25X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn163_rl,"released mucin-type O-glycan No 163",C36H61N3O26,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn164,"mucin-type O-glycan No 164",C55H89N5O38X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn164_rl,"released mucin-type O-glycan No 164",C55H90N5O39,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn165,"mucin-type O-glycan No 165",C55H89N5O38X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn165_rl,"released mucin-type O-glycan No 165",C55H90N5O39,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn166,"mucin-type O-glycan No 166",C44H73N4O30X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn166_rl,"released mucin-type O-glycan No 166",C44H74N4O31,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn167,"mucin-type O-glycan No 167",C63H102N6O43X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn167_rl,"released mucin-type O-glycan No 167",C63H103N6O44,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn168,"mucin-type O-glycan No 168",C63H102N6O43X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn168_rl,"released mucin-type O-glycan No 168",C63H103N6O44,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn169,"mucin-type O-glycan No 169",C63H102N6O43X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn169_rl,"released mucin-type O-glycan No 169",C63H103N6O44,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn17,"mucin-type O-glycan No 17",C72H119N6O49X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn17_rl,"released mucin-type O-glycan No 17",C72H120N6O50,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn170,"mucin-type O-glycan No 170",C52H86N5O35X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn170_rl,"released mucin-type O-glycan No 170",C52H87N5O36,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn171,"mucin-type O-glycan No 171",C52H86N5O35X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn171_rl,"released mucin-type O-glycan No 171",C52H87N5O36,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn172,"mucin-type O-glycan No 172",C48H80N3O34X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn172_rl,"released mucin-type O-glycan No 172",C48H81N3O35,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn173,"mucin-type O-glycan No 173",C42H70N3O30X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn173_rl,"released mucin-type O-glycan No 173",C42H71N3O31,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn174,"mucin-type O-glycan No 174",C49H79N5O33X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn174_rl,"released mucin-type O-glycan No 174",C49H80N5O34,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn175,"mucin-type O-glycan No 175",C38H63N4O25X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn175_rl,"released mucin-type O-glycan No 175",C38H64N4O26,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn176,"mucin-type O-glycan No 176",C61H99N5O42X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn176_rl,"released mucin-type O-glycan No 176",C61H100N5O43,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn177,"mucin-type O-glycan No 177",C50H83N4O34X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn177_rl,"released mucin-type O-glycan No 177",C50H84N4O35,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn178,"mucin-type O-glycan No 178",C66H105N6O46X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn178_rl,"released mucin-type O-glycan No 178",C66H106N6O47,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn179,"mucin-type O-glycan No 179",C69H112N6O47X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn179_rl,"released mucin-type O-glycan No 179",C69H113N6O48,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn18,"mucin-type O-glycan No 18",C44H73N4O30X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn18_rl,"released mucin-type O-glycan No 18",C44H74N4O31,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn180,"mucin-type O-glycan No 180",C58H96N5O39X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn180_rl,"released mucin-type O-glycan No 180",C58H97N5O40,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn181,"mucin-type O-glycan No 181",C74H118N7O51X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn181_rl,"released mucin-type O-glycan No 181",C74H119N7O52,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn182,"mucin-type O-glycan No 182",C22H37N2O14X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn182_rl,"released mucin-type O-glycan No 182",C22H38N2O15,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn183,"mucin-type O-glycan No 183",C41H66N4O28X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn183_rl,"released mucin-type O-glycan No 183",C41H67N4O29,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn185,"mucin-type O-glycan No 185",C30H50N3O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn185_rl,"released mucin-type O-glycan No 185",C30H51N3O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn186,"mucin-type O-glycan No 186",C47H76N4O33X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn186_rl,"released mucin-type O-glycan No 186",C47H77N4O34,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn187,"mucin-type O-glycan No 187",C47H76N4O33X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn187_rl,"released mucin-type O-glycan No 187",C47H77N4O34,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn188,"mucin-type O-glycan No 188",C58H92N5O41X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn188_rl,"released mucin-type O-glycan No 188",C58H93N5O42,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn189,"mucin-type O-glycan No 189",C36H60N3O25X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn189_rl,"released mucin-type O-glycan No 189",C36H61N3O26,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn19,"mucin-type O-glycan No 19",C66H109N6O45X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn19_rl,"released mucin-type O-glycan No 19",C66H110N6O46,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn190,"mucin-type O-glycan No 190",C55H89N5O38X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn190_rl,"released mucin-type O-glycan No 190",C55H90N5O39,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn191,"mucin-type O-glycan No 191",C55H89N5O38X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn191_rl,"released mucin-type O-glycan No 191",C55H90N5O39,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn192,"mucin-type O-glycan No 192",C66H105N6O46X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn192_rl,"released mucin-type O-glycan No 192",C66H106N6O47,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn193,"mucin-type O-glycan No 193",C44H73N4O30X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn193_rl,"released mucin-type O-glycan No 193",C44H74N4O31,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn194,"mucin-type O-glycan No 194",C44H73N4O30X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn194_rl,"released mucin-type O-glycan No 194",C44H74N4O31,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn195,"mucin-type O-glycan No 195",C26H44NO19X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn195_rl,"released mucin-type O-glycan No 195",C26H45NO20,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn196,"mucin-type O-glycan No 196",C20H34NO15X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn196_rl,"released mucin-type O-glycan No 196",C20H35NO16,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn2,"mucin-type O-glycan No 2",C27H43N3O18X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn2_rl,"released mucin-type O-glycan No 2",C27H44N3O19,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn20,"mucin-type O-glycan No 20",C44H73N4O30X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn20_rl,"released mucin-type O-glycan No 20",C44H74N4O31,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn21,"mucin-type O-glycan No 21",C58H96N5O40X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn21_rl,"released mucin-type O-glycan No 21",C58H97N5O41,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn22,"mucin-type O-glycan No 22",C20H34NO14X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn22_rl,"released mucin-type O-glycan No 22",C20H35NO15,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn23,"mucin-type O-glycan No 23",C28H47N2O19X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn23_rl,"released mucin-type O-glycan No 23",C28H48N2O20,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn24,"mucin-type O-glycan No 24",C28H47N2O19X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn24_rl,"released mucin-type O-glycan No 24",C28H48N2O20,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn25,"mucin-type O-glycan No 25",C34H57N2O24X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn25_rl,"released mucin-type O-glycan No 25",C34H58N2O25,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn26,"mucin-type O-glycan No 26",C34H57N2O24X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn26_rl,"released mucin-type O-glycan No 26",C34H58N2O25,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn27,"mucin-type O-glycan No 27",C34H57N2O24X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn27_rl,"released mucin-type O-glycan No 27",C34H58N2O25,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn28,"mucin-type O-glycan No 28",C34H57N2O24X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn28_rl,"released mucin-type O-glycan No 28",C34H58N2O25,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn29,"mucin-type O-glycan No 29",C36H60N3O24X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn29_rl,"released mucin-type O-glycan No 29",C36H61N3O25,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn3,"mucin-type O-glycan No 3",C33H53N3O23X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn3_rl,"released mucin-type O-glycan No 3",C33H54N3O24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn30,"mucin-type O-glycan No 30",C40H67N2O28X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn30_rl,"released mucin-type O-glycan No 30",C40H68N2O29,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn31,"mucin-type O-glycan No 31",C40H67N2O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn31_rl,"released mucin-type O-glycan No 31",C40H68N2O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn32,"mucin-type O-glycan No 32",C42H70N3O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn32_rl,"released mucin-type O-glycan No 32",C42H71N3O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn33,"mucin-type O-glycan No 33",C46H77N2O32X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn33_rl,"released mucin-type O-glycan No 33",C46H78N2O33,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn34,"mucin-type O-glycan No 34",C46H77N2O33X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn34_rl,"released mucin-type O-glycan No 34",C46H78N2O34,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn35,"mucin-type O-glycan No 35",C46H77N2O33X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn35_rl,"released mucin-type O-glycan No 35",C46H78N2O34,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn36,"mucin-type O-glycan No 36",C46H77N2O33X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn36_rl,"released mucin-type O-glycan No 36",C46H78N2O34,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn37,"mucin-type O-glycan No 37",C48H80N3O33X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn37_rl,"released mucin-type O-glycan No 37",C48H81N3O34,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn38,"mucin-type O-glycan No 38",C48H80N3O33X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn38_rl,"released mucin-type O-glycan No 38",C48H81N3O34,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn39,"mucin-type O-glycan No 39",C22H37N2O15X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn39_rl,"released mucin-type O-glycan No 39",C22H38N2O16,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn4,"mucin-type O-glycan No 4",C47H76N4O33X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn4_rl,"released mucin-type O-glycan No 4",C47H77N4O34,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn40,"mucin-type O-glycan No 40",C48H80N3O33X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn40_rl,"released mucin-type O-glycan No 40",C48H81N3O34,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn41,"mucin-type O-glycan No 41",C50H83N4O34X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn41_rl,"released mucin-type O-glycan No 41",C50H84N4O35,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn42,"mucin-type O-glycan No 42",C52H87N2O38X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn42_rl,"released mucin-type O-glycan No 42",C52H88N2O39,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn45,"mucin-type O-glycan No 45",C28H47N2O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn45_rl,"released mucin-type O-glycan No 45",C28H48N2O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn46,"mucin-type O-glycan No 46",C28H47N2O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn46_rl,"released mucin-type O-glycan No 46",C28H48N2O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn47,"mucin-type O-glycan No 47",C42H70N3O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn47_rl,"released mucin-type O-glycan No 47",C42H71N3O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn48,"mucin-type O-glycan No 48",C25H40N2O18X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn48_rl,"released mucin-type O-glycan No 48",C25H41N2O19,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn5,"mucin-type O-glycan No 5",C55H89N5O38X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn5_rl,"released mucin-type O-glycan No 5",C55H90N5O39,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn50,"mucin-type O-glycan No 50",C31H50N2O22X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn50_rl,"released mucin-type O-glycan No 50",C31H51N2O23,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn51,"mucin-type O-glycan No 51",C33H53N3O23X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn51_rl,"released mucin-type O-glycan No 51",C33H54N3O24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn53,"mucin-type O-glycan No 53",C39H63N3O28X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn53_rl,"released mucin-type O-glycan No 53",C39H64N3O29,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn54,"mucin-type O-glycan No 54",C50H79N4O36X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn54_rl,"released mucin-type O-glycan No 54",C50H80N4O37,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn55,"mucin-type O-glycan No 55",C54H90N3O38X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn55_rl,"released mucin-type O-glycan No 55",C54H91N3O39,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn56,"mucin-type O-glycan No 56",C60H100N3O43X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn56_rl,"released mucin-type O-glycan No 56",C60H101N3O44,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn57,"mucin-type O-glycan No 57",C58H96N5O40X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn57_rl,"released mucin-type O-glycan No 57",C58H97N5O41,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn58,"mucin-type O-glycan No 58",C58H96N5O40X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn58_rl,"released mucin-type O-glycan No 58",C58H97N5O41,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn59,"mucin-type O-glycan No 59",C86H138N7O60X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn59_rl,"released mucin-type O-glycan No 59",C86H139N7O61,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn6,"mucin-type O-glycan No 6",C75H122N6O52X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn6_rl,"released mucin-type O-glycan No 6",C75H123N6O53,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn60,"mucin-type O-glycan No 60",C86H138N7O60X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn60_rl,"released mucin-type O-glycan No 60",C86H139N7O61,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn61,"mucin-type O-glycan No 61",C64H106N5O44X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn61_rl,"released mucin-type O-glycan No 61",C64H107N5O45,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn62,"mucin-type O-glycan No 62",C64H106N5O44X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn62_rl,"released mucin-type O-glycan No 62",C64H107N5O45,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn63,"mucin-type O-glycan No 63",C64H102N5O45X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn63_rl,"released mucin-type O-glycan No 63",C64H103N5O46,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn64,"mucin-type O-glycan No 64",C67H109N5O47X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn64_rl,"released mucin-type O-glycan No 64",C67H110N5O48,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn65,"mucin-type O-glycan No 65",C72H115N6O51X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn65_rl,"released mucin-type O-glycan No 65",C72H116N6O52,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn66,"mucin-type O-glycan No 66",C50H83N4O35X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn66_rl,"released mucin-type O-glycan No 66",C50H84N4O36,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn67,"mucin-type O-glycan No 67",C78H125N6O55X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn67_rl,"released mucin-type O-glycan No 67",C78H126N6O56,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn68,"mucin-type O-glycan No 68",C56H93N4O39X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn68_rl,"released mucin-type O-glycan No 68",C56H94N4O40,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn69,"mucin-type O-glycan No 69",C40H67N2O28X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn69_rl,"released mucin-type O-glycan No 69",C40H68N2O29,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn7,"mucin-type O-glycan No 7",C72H115N6O50X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn7_rl,"released mucin-type O-glycan No 7",C72H116N6O51,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn70,"mucin-type O-glycan No 70",C40H67N2O28X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn70_rl,"released mucin-type O-glycan No 70",C40H68N2O29,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn71,"mucin-type O-glycan No 71",C46H77N2O33X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn71_rl,"released mucin-type O-glycan No 71",C46H78N2O34,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn72,"mucin-type O-glycan No 72",C30H50N3O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn72_rl,"released mucin-type O-glycan No 72",C30H51N3O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn73,"mucin-type O-glycan No 73",C22H37N2O15X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn73_rl,"released mucin-type O-glycan No 73",C22H38N2O16,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn74,"mucin-type O-glycan No 74",C34H57N2O24X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn74_rl,"released mucin-type O-glycan No 74",C34H58N2O25,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn75,"mucin-type O-glycan No 75",C40H67N2O28X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn75_rl,"released mucin-type O-glycan No 75",C40H68N2O29,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn76,"mucin-type O-glycan No 76",C40H67N2O28X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn76_rl,"released mucin-type O-glycan No 76",C40H68N2O29,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn77,"mucin-type O-glycan No 77",C28H47N2O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn77_rl,"released mucin-type O-glycan No 77",C28H48N2O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn78,"mucin-type O-glycan No 78",C28H47N2O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn78_rl,"released mucin-type O-glycan No 78",C28H48N2O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn79,"mucin-type O-glycan No 79",C28H47N2O20X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn79_rl,"released mucin-type O-glycan No 79",C28H48N2O21,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn8,"mucin-type O-glycan No 8",C80H128N7O56X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn8_rl,"released mucin-type O-glycan No 8",C80H129N7O57,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn80,"mucin-type O-glycan No 80",C42H70N3O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn80_rl,"released mucin-type O-glycan No 80",C42H71N3O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn81,"mucin-type O-glycan No 81",C58H92N5O41X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn81_rl,"released mucin-type O-glycan No 81",C58H93N5O42,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn82,"mucin-type O-glycan No 82",C36H60N3O25X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn82_rl,"released mucin-type O-glycan No 82",C36H61N3O26,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn83,"mucin-type O-glycan No 83",C36H60N3O25X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn83_rl,"released mucin-type O-glycan No 83",C36H61N3O26,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn84,"mucin-type O-glycan No 84",C42H70N3O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn84_rl,"released mucin-type O-glycan No 84",C42H71N3O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn85,"mucin-type O-glycan No 85",C42H70N3O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn85_rl,"released mucin-type O-glycan No 85",C42H71N3O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn86,"mucin-type O-glycan No 86",C42H70N3O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn86_rl,"released mucin-type O-glycan No 86",C42H71N3O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn87,"mucin-type O-glycan No 87",C42H70N3O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn87_rl,"released mucin-type O-glycan No 87",C42H71N3O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn88,"mucin-type O-glycan No 88",C66H105N6O46X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn88_rl,"released mucin-type O-glycan No 88",C66H106N6O47,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn89,"mucin-type O-glycan No 89",C44H73N4O30X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn89_rl,"released mucin-type O-glycan No 89",C44H74N4O31,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn9,"mucin-type O-glycan No 9",C94H151N8O65X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn9_rl,"released mucin-type O-glycan No 9",C94H152N8O66,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn90,"mucin-type O-glycan No 90",C40H67N2O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn90_rl,"released mucin-type O-glycan No 90",C40H68N2O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn91,"mucin-type O-glycan No 91",C40H67N2O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn91_rl,"released mucin-type O-glycan No 91",C40H68N2O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn92,"mucin-type O-glycan No 92",C40H67N2O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn92_rl,"released mucin-type O-glycan No 92",C40H68N2O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn93,"mucin-type O-glycan No 93",C40H67N2O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn93_rl,"released mucin-type O-glycan No 93",C40H68N2O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn94,"mucin-type O-glycan No 94",C40H67N2O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn94_rl,"released mucin-type O-glycan No 94",C40H68N2O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn95,"mucin-type O-glycan No 95",C40H67N2O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn95_rl,"released mucin-type O-glycan No 95",C40H68N2O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn96,"mucin-type O-glycan No 96",C40H67N2O29X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn96_rl,"released mucin-type O-glycan No 96",C40H68N2O30,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn97,"mucin-type O-glycan No 97",C34H57N2O25X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn97_rl,"released mucin-type O-glycan No 97",C34H58N2O26,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn98,"mucin-type O-glycan No 98",C48H80N3O34X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn98_rl,"released mucin-type O-glycan No 98",C48H81N3O35,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn99,"mucin-type O-glycan No 99",C48H80N3O34X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
MGlcn99_rl,"released mucin-type O-glycan No 99",C48H81N3O35,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
mh4mpt,"5-Methyl-5,6,7,8-tetrahydromethanopterin",C31H44N6O16P,-3,0,0,C04488,7107,58116,,"",,,,NaN,"",,"",,cpd02737,,,63901,,,,"InChI=1S/C31H47N6O16P/c1-13(22-14(2)34-27-23(37(22)3)28(45)36-31(32)35-27)33-16-6-4-15(5-7-16)10-17(38)24(42)18(39)11-50-30-26(44)25(43)20(52-30)12-51-54(48,49)53-19(29(46)47)8-9-21(40)41/h4-7,13-14,17-20,22,24-26,30,33,38-39,42-44H,8-12H2,1-3H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,34,35,36,45)/t13-,14+,17+,18-,19+,20-,22+,24+,25-,26-,30+/m1/s1",
mhglz,"Methyl-Hydroxy-Gliclazide",C15H20N3O4S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
mhista,"1-Methylhistamine",C6H12N3,1,125.1716,125.0952974,C05127,3614,29009,HMDB0000898,"",mhista,mhista,FDB022306,3488,"N-METHYL-HISTAMINE",mhista,"",,,MNXM2840,C00051904,5854,501-75-7,DTXSID30198207,FHQDWPCFSJMNCT-UHFFFAOYSA-O,"InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3/p+1",[H]C1=NC(=C([H])N1C([H])([H])[H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
mi13456p,"Inositol 1,3,4,5,6-pentakisphosphate",C6H7O21P5,-10,580.0554,579.8950402,C01284,NaN,16322,HMDB0003529,"",mi13456p,,FDB023187,10333900,"",mi13456p,"",,cpd00943,MNXM162334,,NaN,20298-95-7,,CTPQAXVNYGZUAJ-KXXVROSKSA-D,"InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/p-10/t1-,2+,3-,4-,5+,6+",[H]O[C@]1([H])[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@]1([H])OP([O-])([O-])=O
mi1345p,"Inositol 1,3,4,5-tetraphosphate",C6H8O18P4,-8,500.0755,499.9287098,C01272,107758,16783,HMDB0001059,"",mi1345p,mi1345p,FDB022398,96919,"CPD-506",mi1345p,".",,cpd00934,MNXM146054,,5973,102850-29-3,,CIPFCGZLFXVXBG-CNWJWELYSA-F,"InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-8/t1-,2-,3-,4+,5-,6-/m0/s1",[H]O[C@@]1([H])[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(O[H])[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@@]1([H])OP([O-])([O-])=O
mi1346p,"1D-Myo-inositol 1,3,4,6-tetrakisphosphate",C6H8O18P4,-8,500.0755,499.9287098,C04477,NaN,16155,HMDB0001187,"",mi1346p,,FDB022475,17216082,"CPD-505",mi1346p,"",,cpd02729,MNXM163430,,6066,110298-84-5,,ZAWIXNGTTZTBKV-JMVOWJSSSA-F,"InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-8/t1-,2+,3-,4+,5-,6+",[H]O[C@@]1([H])[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@@]([H])(O[H])[C@@]([H])(OP([O-])([O-])=O)[C@]1([H])OP([O-])([O-])=O
mi134p,"Inositol 1,3,4-trisphosphate",C6H9O15P3,-6,420.0956,419.9623793,C01243,439455,18228,HMDB0001143,"",mi134p,mi134p,FDB022450,388561,"INOSITOL-1-3-4-TRIPHOSPHATE",mi134p,"",,cpd00914,MNXM162765,,6035,98102-63-7,DTXSID10243446,MMWCIQZXVOZEGG-NCGNNJKGSA-H,"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6/t1-,2-,3+,4+,5+,6+/m0/s1",[H]O[C@]1([H])[C@@]([H])(O[H])[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@@]([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
mi13p,"1D-Myo-inositol 1,3-bisphosphate",C6H10O12P2,-4,340.1157,339.9960489,C04062,NaN,18225,HMDB0006234,"",mi13p,mi13p,FDB023851,16744067,"5-DIPHOSPHO-1D-MYO-INOSITOL-12346P",mi13p,"",,,MNXM164916,,NaN,103597-56-4,,PUVHMWJJTITUGO-FICORBCRSA-J,"InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3+,4+,5+,6-",[H]O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(OP([O-])([O-])=O)[C@@]([H])(O[H])[C@@]([H])(OP([O-])([O-])=O)[C@]1([H])O[H]
mi1456p,"1D-Myo-inositol 1,4,5,6-tetrakisphosphate",C6H8O18P4,-8,500.0755,499.9287098,C11555,443266,16067,HMDB0004527,"",mi1456p,,FDB023378,391520,"",mi1456p,"",,,MNXM91848,,NaN,121010-58-0,,MRVYFOANPDTYBY-UZAAGFTCSA-F,"InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-8/t1-,2+,3-,4-,5+,6+/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[H])[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@]1([H])OP([O-])([O-])=O
mi145p,"Inositol 1,4,5-trisphosphate",C6H9O15P3,-6,420.0956,419.9623793,C01245,439456,16595,HMDB0001498,"IP3",mi145p,mi145p,FDB022657,388562,"inositol_1,4,5-trisphosphate",mi145p,"Inositol 1,4,5-trisphosphate",,cpd00916,MNXM145560,,6282,88269-39-0,,MMWCIQZXVOZEGG-HOZKJCLWSA-H,"InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6/t1-,2+,3+,4-,5-,6-/m0/s1",[H]O[C@]1([H])[C@]([H])(O[H])[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
mi14p,"1D-Myo-inositol 1,4-bisphosphate",C6H10O12P2,-4,340.1157,339.9960489,C01220,NaN,17816,HMDB0000968,"",mi14p,mi14p,FDB022343,17216032,"INOSITOL-1,4-BISPHOSPHATE",mi14p,"",,,MNXM162282,,5911,47055-78-7,,PELZSPZCXGTUMR-ADOSBGCESA-J,"InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3-,4+,5+,6+/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[H])[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
mi1p_D,"Inositol phosphate",C6H11O9P,-2,260.1358,260.0297185,C01177,NaN,18297,HMDB0002985,"",mi1p_D,mi1p_D,FDB023090,10465039,"CPD-180",mi1p__D,"Inositol phosphate",,cpd00867,MNXM646,C00007483,359,15421-51-9,,INAPMGSXUVUWAF-PTQMNWPWSA-L,"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m0/s1",[H]O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OP([O-])([O-])=O)[C@]([H])(O[H])[C@]1([H])O[H]
mi3456p,"D-Myo-inositol 3,4,5,6-tetrakisphosphate",C6H8O18P4,-8,500.0755,499.9287098,C04520,121920,15844,HMDB0003848,"",mi3456p,,FDB023236,108765,"",mi3456p,"",,,MNXM164917,,NaN,112791-61-4,,MRVYFOANPDTYBY-UZAAGFTCSA-F,"InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-8/t1-,2+,3-,4-,5+,6+/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@@]1([H])OP([O-])([O-])=O
mi34p,"1D-Myo-inositol 3,4-bisphosphate",C6H10O12P2,-4,340.1157,339.9960489,C04063,440211,28858,HMDB0006235,"",mi34p,mi34p,FDB023852,389196,"D-MYO-INOSITOL-34-BISPHOSPHATE",mi34p,"",,cpd02513,MNXM163431,,NaN,69256-53-7,,MCKAJXMRULSUKI-CNWJWELYSA-J,"InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3-,4+,5-,6-/m0/s1",[H]O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@@]1([H])O[H]
mi3p_D,"Myo-inositol 1-phosphate",C6H11O9P,-2,260.1358,260.0297185,C04006,NaN,18169,HMDB0000213,"",mi3p_D,mi3p_D,FDB021907,17215924,"1-L-MYO-INOSITOL-1-P",mi3p__D,"",,cpd02484,MNXM540,,5223,573-35-3,DTXSID20878849,INAPMGSXUVUWAF-PTQMNWPWSA-L,"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m0/s1",[H]O[C@@]1([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]1([H])O[H]
mi4p_D,"D-Myo-inositol 4-phosphate",C6H11O9P,-2,260.1358,260.0297185,C03546,NaN,18384,HMDB0001313,"",mi4p_D,mi4p_D,FDB022548,17216102,"D-MYO-INOSITOL-4-PHOSPHATE",mi4p__D,"",,cpd02230,MNXM2063,,6151,46495-39-0,,INAPMGSXUVUWAF-CNWJWELYSA-L,"InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3-,4+,5-,6-/m0/s1",[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(O[H])[C@@]1([H])O[H]
micit,"(2S,3R)-3-Hydroxybutane-1,2,3-Tricarboxylate",C7H7O7,-3,0,0,,5459784,NaN,,"",,,,NaN,"",micit,"",,cpd02799,MNXM1694,,NaN,,,HHKPKXCSHMJWCF-WVBDSBKLSA-K,"InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3/t3-,7-/m1/s1",[H]O[C@](C([O-])=O)(C([H])([H])[H])[C@@]([H])(C([O-])=O)C([H])([H])C([O-])=O
minohp,"Myo-inositol hexakisphosphate",C6H6O24P6,-12,660.0353,659.8613706,C01204,890,17401,HMDB0003502,"",minohp,minohp,FDB000374,866,"MI-HEXAKISPHOSPHATE",minohp,"Phytate",,,MNXM491,,6941,83-86-3,DTXSID40889331,IMQLKJBTEOYOSI-GPIVLXJGSA-B,"InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/p-12/t1-,2-,3-,4+,5-,6-",[H][C@]1(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@]1([H])OP([O-])([O-])=O
mlthf,"5,10-Methylene-THF",C20H21N7O6,-2,457.4399,457.1709815,C00143,439175,15636,HMDB0001533,"",mlthf,mlthf,FDB022675,388320,"METHYLENE-THF",mlthf,"5,10-methylenetetrahydrofolate",,cpd00125,MNXM183,,6304,31690-11-6,DTXSID60185584,QYNUQALWYRSVHF-UEWDXFNNSA-L,"InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/p-2/t12-,13?/m0/s1",[H]OC1=NC(=NC2=C1N1C([H])([H])N(C3=C([H])C([H])=C(C([H])=C3[H])C(=O)N([H])C([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[C@@]1([H])C([H])([H])N2[H])N([H])[H]
mma,"Methylamine",C1H6N,1,31.0571,31.04219917,C00218,6329,16830,HMDB0000164,"methylamine",mma,mma,FDB003958,6089,"METHYLAMINE",mma,"Methylamine",DB01828,cpd00187,MNXM61773,C00050483,3767,74-89-5,DTXSID7025683,BAVYZALUXZFZLV-UHFFFAOYSA-O,"InChI=1S/CH5N/c1-2/h2H2,1H3/p+1",[H]C([H])([H])[N+]([H])([H])[H]
mmcoa_R,"R-Methylmalonyl-CoA",C25H35N7O19P3S,-5,867.607,867.1312524,C01213,22833590,NaN,HMDB0002255,"(R)-methylmalonyl-CoA",mmcoa_R,mmcoa_R,FDB022930,17216177,"METHYL-MALONYL-COA",mmcoa__R,"",,cpd00891,MNXM608,,6577,73173-92-9,,MZFOKIKEPGUZEN-AGCMQPJKSA-I,"InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/p-5/t12-,13-,16-,17-,18+,22-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@@]([H])(C([O-])=O)C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
mmcoa_S,"Methylmalonyl-CoA",C25H35N7O19P3S,-5,867.607,867.1312524,C00683,439291,15466,HMDB0001269,"(S)-methylmalonyl-CoA",mmcoa_S,mmcoa_S,FDB022523,388424,"METHYL-MALONYL-COA",mmcoa__S,"Methylmalonyl-CoA",,cpd00519,MNXM89955,,462,104809-02-1,DTXSID80883151,MZFOKIKEPGUZEN-IBNUZSNCSA-I,"InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/p-5/t12-,13+,16+,17+,18-,22+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@]([H])(C([O-])=O)C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
mmet,"S-Methyl-L-methionine",C6H14NO2S,1,0,0,,NaN,NaN,HMDB0038670,"",,,,NaN,"",mmet,"",,cpd02027,MNXM1119,,NaN,,,,"",
mmtsa,"(S)-Methylmalonic acid semialdehyde",C4H5O3,-1,102.0886,102.0316941,C06002,5462303,27821,HMDB0002217,"",,,FDB022912,4575365,"",mmtsa,"",,,MNXM933,,6553,99043-16-0,,VOKUMXABRRXHAR-VKHMYHEASA-N,"",
mn,"Beta-1,4-mannose-N-acetylglucosamine",C14H25NO11,0,383.3484,383.1427606,,53477853,NaN,HMDB0006535,"",mn,mn,FDB023964,NaN,"D-GALACTOSYL-14-D-GALACTOSYL-14-D-",mn,"",,,MNXM8331,,NaN,,,KFEUJDWYNGMDBV-MMOUBBDDSA-N,"InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10+,11+,12-,13-,14-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])O[C@]2([H])C([H])([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
mn2,"Mn2+",Mn,2,0,0,,NaN,NaN,,"",,,,NaN,"",mn2,"",,cpd00030,MNXM2255,,NaN,,,,"",
mnl,"D-Mannitol",C6H14O6,0,0,0,,NaN,NaN,HMDB0000765,"",,,,NaN,"",mnl,"",,cpd00314,MNXM615,,NaN,,,,"",
mnl1p,"D-Mannitol 1-phosphate",C6H13O9P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",mnl1p,"",,cpd00491,MNXM90126,,NaN,,,,"",
mobd,"Molybdate",MoO4,-2,165.99,167.932014,C06232,82208,25371,HMDB0012260,"",,,FDB028899,74188,"",mobd,"",,cpd11574,MNXM1026,,NaN,,,SHTXPGOZOVLFDJ-UHFFFAOYSA-L,"",
mops,"3-(n-Morpholino)Propanesulfonic Acid",C7H14NO4S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",mops,"",,cpd11575,MNXM62524,,NaN,,,,"",
mpdol_L,"Beta-1,4-D-Mannosylchitobiosyldiphosphodolichol",C1300H2128N20O220P20,-20,1089.1017,1088.483445,C05860,45259170,18396,HMDB0011673,"",mpdol_L,,FDB028362,26333131,"D-GALACTOSYL-14-D-GALACTOSYL-14-D-",mpdol__L,"",,,MNXM148107,,NaN,,,CMBCFQGXXHOGEH-PPQHMIFUSA-L,"InChI=1S/C47H82N2O22P2/c1-26(2)13-9-14-27(3)15-10-16-28(4)17-11-18-29(5)19-12-20-30(6)21-22-64-72(60,61)71-73(62,63)70-46-37(49-32(8)54)40(57)43(35(25-52)67-46)68-45-36(48-31(7)53)39(56)44(34(24-51)66-45)69-47-42(59)41(58)38(55)33(23-50)65-47/h13,15,17,19,30,33-47,50-52,55-59H,9-12,14,16,18,20-25H2,1-8H3,(H,48,53)(H,49,54)(H,60,61)(H,62,63)/p-2/b27-15+,28-17+,29-19+/t30?,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,46-,47+/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
mpdol_U,"Beta-D-Mannosyldiacetylchitobiosyldiphosphodolichol, Human Uterine Homolog",C1245H2040N20O220P20,-20,0,0,,NaN,NaN,,"",mpdol_U,,,NaN,"",mpdol_U,"",,,MNXM10806,,NaN,,,CMBCFQGXXHOGEH-PPQHMIFUSA-L,"InChI=1S/C47H82N2O22P2/c1-26(2)13-9-14-27(3)15-10-16-28(4)17-11-18-29(5)19-12-20-30(6)21-22-64-72(60,61)71-73(62,63)70-46-37(49-32(8)54)40(57)43(35(25-52)67-46)68-45-36(48-31(7)53)39(56)44(34(24-51)66-45)69-47-42(59)41(58)38(55)33(23-50)65-47/h13,15,17,19,30,33-47,50-52,55-59H,9-12,14,16,18,20-25H2,1-8H3,(H,48,53)(H,49,54)(H,60,61)(H,62,63)/p-2/b27-15+,28-17+,29-19+/t30?,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44-,45+,46-,47+/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
mphze,"Methanophenazine",C37H50N2O,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd08701,,,NaN,,,,"",
mppp9,"Mg-protoporphyrin IX (iMEO21, iAF692)",C34H31N4O4Mg,-1,0,0,,NaN,NaN,,"",,,,NaN,"",mppp9,"",,cpd02216,MNXM2254,,NaN,,,,"",
mppp9mme,"Mg-Protoporphyrin IX 13-monomethyl ester",C35H33N4O4Mg,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd02762,,,NaN,,,,"",
mql7,"Menaquinol 7",C46H66O2,0,0,0,C05819,NaN,NaN,,"",,,,NaN,"",mql7,"",,cpd11451,MNXM12233,,NaN,,,,"",
mql8,"Menaquinol 8",C51H74O2,0,0,0,,NaN,NaN,,"",,,,NaN,"",mql8,"",,cpd15499,MNXM223,,NaN,,,,"",
mqn10,"Menaquinone-10",C61H88O2,0,0,0,,9988135,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OCQQATZYCNAKQB-UHFFFAOYSA-N,"InChI=1S/C61H88O2/c1-46(2)24-15-25-47(3)26-16-27-48(4)28-17-29-49(5)30-18-31-50(6)32-19-33-51(7)34-20-35-52(8)36-21-37-53(9)38-22-39-54(10)40-23-41-55(11)44-45-57-56(12)60(62)58-42-13-14-43-59(58)61(57)63/h13-14,24,26,28,30,32,34,36,38,40,42-44H,15-23,25,27,29,31,33,35,37,39,41,45H2,1-12H3",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C1=C(C(=O)C2=C([H])C([H])=C([H])C([H])=C2C1=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
mqn11,"Menaquinone-11",C66H96O2,0,0,0,,6442190,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YYDMANIEKFAEJC-UHFFFAOYSA-N,"InChI=1S/C66H96O2/c1-50(2)26-16-27-51(3)28-17-29-52(4)30-18-31-53(5)32-19-33-54(6)34-20-35-55(7)36-21-37-56(8)38-22-39-57(9)40-23-41-58(10)42-24-43-59(11)44-25-45-60(12)48-49-62-61(13)65(67)63-46-14-15-47-64(63)66(62)68/h14-15,26,28,30,32,34,36,38,40,42,44,46-48H,16-25,27,29,31,33,35,37,39,41,43,45,49H2,1-13H3",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C1=C(C(=O)C2=C([H])C([H])=C([H])C([H])=C2C1=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
mqn7,"Menaquinone-7",C46H64O2,0,0,0,,5287554,NaN,,"",,,,NaN,"",mqn7,"",,cpd11606,MNXM12236,,NaN,,,RAKQPZMEYJZGPI-LJWNYQGCSA-N,"InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C1=C(C(=O)C2=C([H])C([H])=C([H])C([H])=C2C1=O)C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
mqn8,"Menaquinone-8",C51H72O2,0,0,0,,5376507,NaN,,"",,,,NaN,"",mqn8,"",,cpd15500,MNXM509,,NaN,,,LXKDFTDVRVLXFY-UHFFFAOYSA-N,"InChI=1S/C51H72O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,32,34-36H,13-19,21,23,25,27,29,31,33,37H2,1-10H3",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C1=C(C(=O)C2=C([H])C([H])=C([H])C([H])=C2C1=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
mqn9,"Menaquinone-9",C56H80O2,0,0,0,,6289935,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WCRXHNIUHQUASO-UVZVDVBNSA-N,"InChI=1S/C56H80O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,36,38-40H,14-21,23,25,27,29,31,33,35,37,41H2,1-11H3/b43-24+,44-26+,45-28+,46-30+,47-32+,48-34+,49-36+,50-40+",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C1=C(C(=O)C2=C(C([H])=C([H])C([H])=C2[H])C1=O)C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
msa,"Malonic semialdehyde",C3H3O3,-1,88.0621,88.01604399,C00222,868,17960,HMDB0011111,"",msa,msa,FDB027893,845,"",msa,"",,cpd00191,MNXM244,,NaN,926-61-4,DTXSID90239064,OAKURXIZZOAYBC-UHFFFAOYSA-M,"InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)/p-1",[H]C(=O)C([H])([H])C([O-])=O
mso3,"Methanesulfonate",CH3O3S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",mso3,"",,cpd08023,MNXM1485,,NaN,,,,"",
mtethnpn,"5,10-Methylenetetrahydromethanopterin",C31H42N6O16P,-3,0,0,,NaN,NaN,HMDB0060401,"",,,,NaN,"",,"",,cpd02679,,,NaN,,,,"",
mthgxl,"Pyruvaldehyde",C3H4O2,0,72.0627,72.02112937,C00546,880,17158,HMDB0001167,"",mthgxl,mthgxl,FDB008295,857,"METHYL-GLYOXAL",mthgxl,"Pyruvaldehyde",DB03587,cpd00428,MNXM310,C00007562,6049,78-98-8,DTXSID0021628,AIJULSRZWUXGPQ-UHFFFAOYSA-N,"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3",[H]C(=O)C(=O)C([H])([H])[H]
mtth4mpt,"5,10-Methenyl-5,6,7,8-tetrahydromethanopterin",C31H41N6O16P,-2,0,0,C04330,6982,17975,,"",,,,NaN,"",,"",,cpd02655,,,63292,,,,"InChI=1S/C31H43N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,12-14,17-20,22,24-26,30,38-39,42-44H,7-11H2,1-2H3,(H6-,32,33,34,35,40,41,45,46,47,48,49)/p+1/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1",
mucl,"Mucolactone",C6H5O4,-1,0,0,C04105,6796,18080,,"",,,,NaN,"",mucl,"",,cpd02536,MNXM1104,,66114,,,,"InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)",
mvlac,"Mevalonolactone",C6H10O3,0,130.1418,130.0629942,,5325923,NaN,HMDB0006024,"",,mvlac,FDB023804,4483406,"",,"",,,,,NaN,503-48-0,,JYVXNLLUYHCIIH-LURJTMIESA-N,"InChI=1S/C6H10O3/c1-6(8)2-3-9-5(7)4-6/h8H,2-4H2,1H3/t6-/m0/s1",[H]O[C@]1(C([H])([H])[H])C([H])([H])C(=O)OC([H])([H])C1([H])[H]
myelin_hs,"Myelin Sheath",X,0,0,0,,NaN,NaN,,"",,myelin_hs,,NaN,"",,"",,,,,NaN,,,,"",
myrsACP,"Myristoyl-ACP (N-C14:0ACP)",C25H47N2O8PRS,-1,0,0,C05761,NaN,NaN,,"",myrsACP,,,NaN,"",myrsACP,"",,cpd11466,MNXM89779,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)S[*]
myrstca1,"Myristoyllipoteichoic acid (n=24), linked, unsubstituted",C115H224O135P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15747,,,NaN,,,,"",
myrstcaacgam,"Myristoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine",C307H536N24O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15765,,,NaN,,,,"",
myrstcaala_D,"Myristoyllipoteichoic acid (n=24), linked, D-alanine substituted",C187H320N24O135P24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15774,,,NaN,,,,"",
myrstcaglc,"Myristoyllipoteichoic acid (n=24), linked, glucose substituted",C259H464O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15756,,,NaN,,,,"",
N1aspmd,"N1-Acetylspermidine",C9H23N3O,2,187.2825,187.1684623,C00612,496,17927,HMDB0001276,"",N1aspmd,N1aspmd,FDB022530,482,"CPD-568",N1aspmd,"",,cpd00470,MNXM501,,3323,14278-49-0,DTXSID80162175,MQTAVJHICJWXBR-UHFFFAOYSA-P,"InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)/p+2",[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
N1sprm,"N1-Acetylspermine",C12H31N4O,3,244.3769,244.2263115,C02567,916,17312,HMDB0001186,"",N1sprm,,FDB022474,892,"N1-ACETYLSPERMINE",N1sprm,"",,,MNXM600,,3369,25593-72-0,DTXSID40180274,GUNURVWAJRRUAV-UHFFFAOYSA-Q,"InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)/p+3",[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
n2,"Nitrogen",N2,0,0,0,,NaN,NaN,HMDB0001371,"",,,,NaN,"",n2,"",,cpd00528,MNXM724,,NaN,,,,"",
n2m2masn,"((N-Acetyl-D-Glucosaminyl)2-(Alpha-D-Mannosyl)2-Beta-D-Mannosyl-Diacetylchitobiosyl)-L-Asparagine (Protein)",C50H83N4O35X,0,0,0,G00015,NaN,NaN,,"",n2m2masn,,,NaN,"",n2m2masn,"",,,MNXM6483,,NaN,,,,"",
n2m2mn,"De-Fuc, Reducing GlcNac Removed, De-Sia, De-Gal Form Of Pa6 (W/O Peptide Linkage)",C42H71N3O31,0,0,0,,NaN,NaN,,"",n2m2mn,n2m2mn,,NaN,"",n2m2mn,"",,,MNXM11301,,NaN,,,,"",
n2m2nm,"N2M2Nmasn (W/O Peptide Linkage)",C58H97N5O41,0,0,0,,NaN,NaN,,"",n2m2nm,n2m2nm,,NaN,"",n2m2nm,"",,,MNXM8930,,NaN,,,,"",
n2m2nmasn,"N-Acetyl-Beta-D-Glucosaminyl-1,2-Alpha-D-Mannosyl-1,3-(N-Acetyl-Beta-D-Glucosaminyl-1,2-Alpha-D-Mannosyl-1,6)-(N-Acetyl-Beta-D-Glucosaminyl-1,4)-Beta-D-Mannosyl-1,4-N-Acetyl-Beta-D-Glucosaminyl-R",C58H96N5O40X,0,0,0,G00019,NaN,NaN,,"",n2m2nmasn,n2m2nmasn,,NaN,"",n2m2nmasn,"",,,MNXM6345,,NaN,,,,"",
n2m2nmn,"Reducing GlcNac Removed Form Of N2M2Nmasn (W/O Peptide)",C50H84N4O36,0,0,0,,NaN,NaN,,"",n2m2nmn,n2m2nmn,,NaN,"",n2m2nmn,"",,,MNXM9086,,NaN,,,,"",
n2o,"Nitrous oxide",N2O,0,0,0,,NaN,NaN,HMDB0035807,"",,,,NaN,"",n2o,"",,cpd00659,MNXM579,,NaN,,,,"",
n3m2masn,"((N-Acetyl-D-Glucosaminyl)3-(Alpha-D-Mannosyl)2-Beta-D-Mannosyl-Diacetylchitobiosyl)-L-Asparagine (Protein)",C58H96N5O40X,0,0,0,,NaN,NaN,,"",n3m2masn,,,NaN,"",n3m2masn,"",,,MNXM9347,,NaN,,,,"",
n4abutn,"N4-Acetylaminobutanal",C6H11NO2,0,129.157,129.0789786,C05936,440850,7386,HMDB0004226,"",n4abutn,n4abutn,FDB023339,389692,"",n4abutn,"",,,MNXM1527,,NaN,,DTXSID30331531,DDSLGZOYEPKPSJ-UHFFFAOYSA-N,"InChI=1S/C6H11NO2/c1-6(9)7-4-2-3-5-8/h5H,2-4H2,1H3,(H,7,9)",[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])=O
n4m2masn,"((N-Acetyl-D-Glucosaminyl)4-(Alpha-D-Mannosyl)2-Beta-D-Mannosyl-Diacetylchitobiosyl)-L-Asparagine (Protein)",C66H109N6O45X,0,0,0,,NaN,NaN,,"",n4m2masn,,,NaN,"",n4m2masn,"",,,MNXM9348,,NaN,,,,"",
n5m2masn,"((N-Acetyl-D-Glucosaminyl)5-(Alpha-D-Mannosyl)2-Beta-D-Mannosyl-Diacetylchitobiosyl)-L-Asparagine (Protein)",C74H122N7O50X,0,0,0,,NaN,NaN,,"",n5m2masn,n5m2masn,,NaN,"",n5m2masn,"",,,MNXM13407,,NaN,,,,"",
n6all26d,"N6-Acetyl-LL-2,6-diaminoheptanedioate",C9H15N2O5,-1,0,0,C04390,NaN,NaN,,"",,,,NaN,"",n6all26d,"",,cpd02685,MNXM1759,,63453,,,,"",
n8aspmd,"N8-Acetylspermidine",C9H23N3O,2,187.2825,187.1684623,C01029,123689,27911,HMDB0002189,"",n8aspmd,n8aspmd,FDB022894,110264,"CPD-3462",n8aspmd,"",,cpd00758,MNXM1679,,6535,34450-15-2,DTXSID60158637,FONIWJIDLJEJTL-UHFFFAOYSA-P,"InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)/p+2",[H]N(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
na1,"Sodium",Na,1,22.9898,22.98976968,C01330,923,29101,HMDB0000588,"Na+",na1,na1,FDB003523,899,"",na1,"Sodium",,cpd00971,MNXM27,,3192,7440-23-5,DTXSID1049774,FKNQFGJONOIPTF-UHFFFAOYSA-N,"InChI=1S/Na/q+1",[Na+]
nac,"Nicotinic acid",C6H4NO2,-1,123.1094,123.0320284,C00253,938,15940,HMDB0001488,"",nac,nac,FDB001014,913,"NIACINE",nac,"Nicotinic acid",DB00627,cpd00218,MNXM274,C00000208,6272,59-67-6,DTXSID1020932,PVNIIMVLHYAWGP-UHFFFAOYSA-M,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1",[H]C1=C([H])C([H])=C(C([H])=N1)C([O-])=O
Nacasp,"N-Acetyl-L-aspartic acid",C6H7NO5,-2,175.1394,175.0480724,C01042,65065,21547,HMDB0000812,"",Nacasp,Nacasp,FDB022260,58576,"CPD-420",Nacasp,"N-acetylaspartate",,cpd00767,MNXM163864,,5776,997-55-7,,OTCCIMWXFLJLIA-BYPYZUCNSA-L,"InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/p-2/t4-/m0/s1",[H]N(C(=O)C([H])([H])[H])[C@]([H])(C([O-])=O)C([H])([H])C([O-])=O
Naccitr_L,"N-Acetyl-L-citrulline",C8H15N3O4,0,0,0,,NaN,NaN,HMDB0000856,"",,,,NaN,"",,"",,cpd11209,,,NaN,,,,"",
Nacsertn,"N-Acetylserotonin",C12H14N2O2,0,218.2518,218.1055277,C00978,903,17697,HMDB0001238,"",Nacsertn,Nacsertn,FDB022505,879,"N-ACETYL-SEROTONIN",Nacsertn,"ASE",DB04275,,MNXM164995,,366,1210-83-9,DTXSID00153106,MVAWJSIDNICKHF-UHFFFAOYSA-N,"InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)",[H]OC1=C([H])C2=C(N([H])C([H])=C2C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])[H])C([H])=C1[H]
nacvanala,"N-Acetylvanilalanine",C12H14NO5,-1,0,0,,NaN,NaN,,"",,nacvanala,,NaN,"",,"",,,,,NaN,,,UKDKTHYZLXZOSS-UHFFFAOYSA-M,"InChI=1S/C12H15NO5/c1-7(14)13-9(12(16)17)5-8-3-4-10(15)11(6-8)18-2/h3-4,6,9,15H,5H2,1-2H3,(H,13,14)(H,16,17)/p-1",[H]OC1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])(N([H])C(=O)C([H])([H])[H])C([O-])=O
nad,"NAD",C21H26N7O14P2,-1,664.433,664.1169467,C00003,5893,15846,HMDB0000902,"NAD(+);NAD+",nad,NAD,FDB022309,5682,"NAD",nad,"NAD",,cpd00003,MNXM8,C00007256,5858,53-84-9,DTXSID2045236,BAWFJGJZGIEFAR-NNYOXOHSSA-M,"InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p-1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])([N+]3=C([H])C(=C([H])C([H])=C3[H])C(=O)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
nadh,"NADH",C21H27N7O14P2,-2,0,0,C00004,928,16908,HMDB0001487,"NADH",nadh,nadh,FDB022649,903,"NADH",nadh,"NADH",DB00157,cpd00004,MNXM10,C00019343,3687,58-68-4,,BOPGDPNILDQYTO-NNYOXOHSSA-L,"InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C([H])([H])C(=C3[H])C(=O)N([H])[H])[C@]([H])(O[H])[C@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
nadp,"NADP",C21H25N7O17P3,-3,744.4129,744.0832771,C00006,5886,18009,HMDB0000217,"NADP(+);NADP+",nadp,nadp,FDB021908,5675,"NAD(P)",nadp,"NADP",,cpd00006,MNXM5,,5227,53-59-8,DTXSID50889327,XJLXINKUBYWONI-NNYOXOHSSA-K,"InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p-3/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])[N+]1=C([H])C(=C([H])C([H])=C1[H])C(=O)N([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(OP([O-])([O-])=O)[C@]1([H])O[H]
nadph,"NADPH",C21H26N7O17P3,-4,745.4209,745.0911021,C00005,22833512,16474,HMDB0000221,"NADPH",nadph,nadph,FDB021909,17215925,"NADPH",nadph,"NADPH",,cpd00005,MNXM6,C00019545,3691,53-57-6,,ACFIXJIJDZMPPO-NCHANQSKSA-J,"InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/p-4/t10-,11-,13-,14-,15-,16-,20-,21-/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=NC4=C(N=C([H])N=C34)N([H])[H])[C@]([H])(OP([O-])([O-])=O)[C@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C([H])([H])C(=C1[H])C(=O)N([H])[H]
naglc2p_L,"N-Acetyl-D-glucosaminyldiphosphodolichol",C1160H1898N10O120P20,-20,587.5345,587.2260489,C04500,11953837,NaN,HMDB0001445,"",naglc2p_L,,FDB022628,10128137,"",naglc2p__L,"",,,MNXM148369,,6251,,,NSVKTXNITHYTDN-QQFUYBAXSA-L,"InChI=1S/C33H59NO12P2/c1-23(2)12-8-13-24(3)14-9-15-25(4)16-10-17-26(5)18-11-19-27(6)20-21-43-47(39,40)46-48(41,42)45-33-30(34-28(7)36)32(38)31(37)29(22-35)44-33/h12,14,16,18,27,29-33,35,37-38H,8-11,13,15,17,19-22H2,1-7H3,(H,34,36)(H,39,40)(H,41,42)/p-2/b24-14+,25-16+,26-18-/t27?,29-,30-,31-,32-,33-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
naglc2p_U,"N-Acetyl-D-Glucosaminyldiphosphodolichol, Human Uterine Homolog",C1105H1810N10O120P20,-20,0,0,,NaN,NaN,,"",naglc2p_U,,,NaN,"",naglc2p_U,"",,,MNXM12353,,NaN,,,NSVKTXNITHYTDN-QQFUYBAXSA-L,"InChI=1S/C33H59NO12P2/c1-23(2)12-8-13-24(3)14-9-15-25(4)16-10-17-26(5)18-11-19-27(6)20-21-43-47(39,40)46-48(41,42)45-33-30(34-28(7)36)32(38)31(37)29(22-35)44-33/h12,14,16,18,27,29-33,35,37-38H,8-11,13,15,17,19-22H2,1-7H3,(H,34,36)(H,39,40)(H,41,42)/p-2/b24-14+,25-16+,26-18-/t27?,29-,30-,31-,32-,33-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
napqi,"N-Acetyl-p-Benzoquinone Imine (NAPQI)",C8H7NO2,0,0,0,,NaN,NaN,HMDB0060946,"",,,,36356,"",,"NAPQI",,,,,NaN,,,,"",
ncam,"Niacinamide",C6H6N2O,0,122.1246,122.0480128,C00153,936,17154,HMDB0001406,"nicotinamide",ncam,ncam,FDB012485,911,"NIACINAMIDE",ncam,"Niacinamide",DB02701,cpd00133,MNXM216,C00000209,1497,98-92-0,DTXSID2020929,DFPAKSUCGFBDDF-UHFFFAOYSA-N,"InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)",[H]N([H])C(=O)C1=C([H])C([H])=C([H])N=C1[H]
ncptrc,"N-Carbamoylputrescine",C5H14N3O,1,131.1762,131.1058621,C00436,502,17902,HMDB0033458,"",,,FDB011499,488,"",,"",,cpd00341,,C00001404,NaN,6851-51-0,DTXSID10218639,YANFYYGANIYHGI-UHFFFAOYSA-N,"",
ndersv,"N-Desmethyl-Rosuvastatin",C42H48CaF2N6O12S2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
Ndmelys,"Ne,Ne dimethyllysine",C2H7X,2,174.2407,174.1368278,C05545,4478779,NaN,HMDB0013287,"",Ndmelys,Ndmelys,FDB029364,3676766,"",Ndmelys,"",,cpd12737,MNXM92618,,NaN,,,XXEWFEBMSGLYBY-UHFFFAOYSA-N,"",[H]N([*])C(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]
neuromelanin,"Neuromelanin",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SGNZYJXNUURYCH-UHFFFAOYSA-N,"InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H",[H]OC1=C(O[H])C([H])=C2C([H])=C([H])N([H])C2=C1[H]
nfd,"Nifedipine",C17H18N2O6,0,0,0,D00437,4485,7565,HMDB0015247,"",,,,4330,"",,"Nifedipine",DB01115,,,,NaN,21829-25-4,,,"",
nfdac,"Acid Form of Nifedipine",C16H13N2O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
nfdlac,"Lactone Form of Nifedipine",C16H12N2O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
nfdnpy,"Nitropyridine Metabolite of Nifedipine",C17H16N2O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
nfdoh,"Hydroxy Metabolite of Nifedipine",C16H13N2O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
nforglu,"N-Formyl-L-glutamate",C6H7NO5,-2,0,0,,NaN,NaN,HMDB0003470,"",,,,NaN,"",,"",,cpd00770,,,NaN,,,,"",
nformanth,"Formylanthranilic acid",C8H6NO3,-1,165.1461,165.0425931,C05653,101399,36575,HMDB0004089,"",nformanth,nformanth,FDB023309,91624,"",nformanth,"",,,MNXM165014,,NaN,3342-77-6,DTXSID70187059,LLLPDUXGHXIXIW-UHFFFAOYSA-M,"InChI=1S/C8H7NO3/c10-5-9-7-4-2-1-3-6(7)8(11)12/h1-5H,(H,9,10)(H,11,12)/p-1",[H]N(C([H])=O)C1=C([H])C([H])=C([H])C([H])=C1C([O-])=O
nh4,"Ammonia",H4N,1,17.0305,17.0265491,C00014,222,16134,HMDB0000051,"ammonia",nh4,nh4,FDB003908,217,"AMMONIA",nh4,"Ammonia",,cpd00013,MNXM15,C00007267,3189,7664-41-7,DTXSID5043974,QGZKDVFQNNGYKY-UHFFFAOYSA-O,"InChI=1S/H3N/h1H3/p+1",[H][N+]([H])([H])[H]
ni2,"Nickel",Ni,2,58.6934,57.93534792,C19609,934,49786,HMDB0002457,"",,,FDB013444,909,"CPD-7425",ni2,"Nickel",,cpd00244,MNXM3673,,NaN,7440-02-0,DTXSID2020925,VEQPNABPJHWNSG-UHFFFAOYSA-N,"",
nicrns,"Nicotinate D-ribonucleoside",C11H13NO6,0,256.232,256.0821122,C05841,161234,27748,HMDB0006809,"",nicrns,nicrns,FDB024094,141636,"",nicrns,"",,cpd03471,MNXM1915,,NaN,,,PUEDDPCUCPRQNY-ZYUZMQFOSA-N,"InChI=1S/C11H13NO6/c13-5-7-8(14)9(15)10(18-7)12-3-1-2-6(4-12)11(16)17/h1-4,7-10,13-15H,5H2/t7-,8-,9-,10-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([N+]2=C([H])C([H])=C([H])C(=C2[H])C([O-])=O)[C@]([H])(O[H])[C@]1([H])O[H]
nicrnt,"Nicotinic acid mononucleotide",C11H12NO9P,-2,337.2198,337.0562676,C01185,53477721,15763,HMDB0001132,"",nicrnt,nicrnt,FDB022444,NaN,"NICOTINATE_NUCLEOTIDE",nicrnt,"",,cpd00873,MNXM194,C00007447,6026,321-02-8,,JOUIQRNQJGXQDC-ZYUZMQFOSA-L,"InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p-2/t7-,8-,9-,10-/m1/s1",[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])[N+]1=C([H])C(=C([H])C([H])=C1[H])C([O-])=O)C([H])([H])OP([O-])([O-])=O
nifedipine,"Nifedipine",C17H18N2O6,0,346.3389893,346.1164863,C07266,4485,7565,,"",nifedipine,nifedipine,,4330,"",nifedipine,"Nifedipine",DB01115,,MNXM12466,,NaN,21829-25-4,DTXSID2025715,HYIMSNHJOBLJNT-UHFFFAOYSA-N,"InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3",[H]N1C(=C(C(=O)OC([H])([H])[H])C([H])(C2=C(C([H])=C([H])C([H])=C2[H])[N+]([O-])=O)C(C(=O)OC([H])([H])[H])=C1C([H])([H])[H])C([H])([H])[H]
nm2masn,"(N-Acetyl-D-Glucosaminyl-(Alpha-D-Mannosyl)2-Beta-D-Mannosyl-Diacetylchitobiosyl)-L-Asparagine (Protein)",C42H70N3O30X,0,0,0,,NaN,NaN,,"",nm2masn,,,NaN,"",nm2masn,"",,,MNXM9489,,NaN,,,,"",
nm4masn,"(N-Acetyl-D-Glucosaminyl-(Alpha-D-Mannosyl)4-Beta-D-Mannosyl-Diacetylchitobiosyl)-L-Asparagine (Protein)",C54H90N3O40X,0,0,0,,NaN,NaN,,"",nm4masn,,,NaN,"",nm4masn,"",,,MNXM9490,,NaN,,,,"",
Nmelys,"Histone N6-Methyl-L-Lysine",CXH4,1,0,0,C03702,NaN,NaN,,"",Nmelys,,,NaN,"",Nmelys,"",,,MNXM92378,,NaN,,,,"",[H]N([*])C(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])[H]
nmn,"Nicotinamide ribotide",C11H14N2O8P,-1,334.2192,334.056602,C00455,14180,16171,HMDB0000229,"",nmn,nmn,FDB021912,13553,"NICOTINAMIDE_NUCLEOTIDE",nmn,"",,cpd00355,MNXM355,C00019694,5238,1094-61-7,,DAYLJWODMCOQEW-TURQNECASA-M,"InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p-1/t7-,8-,9-,11-/m1/s1",[H]O[C@]1([H])[C@]([H])(O[H])[C@]([H])(O[C@@]1([H])[N+]1=C([H])C([H])=C([H])C(=C1[H])C(=O)N([H])[H])C([H])([H])OP([O-])([O-])=O
nmptrc,"N-Methylputrescine",C5H16N2,2,102.1781,102.1156985,C02723,439791,17166,HMDB0003661,"",,,FDB023211,388845,"CPD-394",nmptrc,"",,cpd01766,MNXM2704,C00034611,NaN,14475-60-6,,RMIVMBYMDISYFZ-UHFFFAOYSA-P,"InChI=1S/C5H14N2/c1-7-5-3-2-4-6/h7H,2-6H2,1H3/p+2",[H]C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
nmthsrtn,"N-Methylserotonin",C11H15N2O,1,190.2417,190.1106131,C06212,150885,48294,HMDB0004369,"",nmthsrtn,,FDB017273,132989,"",nmthsrtn,"N-Methylserotonin",,,MNXM91663,C00051736,7056,1134-01-6,DTXSID40150396,ASUSBMNYRHGZIG-UHFFFAOYSA-O,"InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3/p+1",[H]OC1=C([H])C([H])=C2N([H])C([H])=C(C2=C1[H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])[H]
no,"Nitric oxide",NO,0,30.0061,29.99798863,C00533,145068,16480,HMDB0003378,"NO;nitric oxide;nitrite radical",no,no,FDB021825,127983,"NITRIC-OXIDE",no,"Nitric oxide",DB00435,cpd00418,MNXM228,,6912,10102-43-9,DTXSID1020938,MWUXSHHQAYIFBG-UHFFFAOYSA-N,"InChI=1S/NO/c1-2",[N]=O
no2,"Nitrite",NO2,-1,46.0055,45.99290325,C00088,946,16301,HMDB0002786,"nitrite",no2,no2,FDB023064,921,"NITRITE",no2,"Nitrite",,cpd00075,MNXM107,,3201,14797-65-0,DTXSID5024219,IOVCWXUNBOPUCH-UHFFFAOYSA-M,"InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1",[O-]N=O
no3,"Nitrate",NO3,-1,0,0,,NaN,NaN,HMDB0002878,"",,,,NaN,"",no3,"",,cpd00209,MNXM207,,NaN,,,,"",
noncoa,"Nonanoyl Coenzyme A",C30H48N7O17P3S,-4,0,0,,439607,NaN,,"",noncoa,noncoa,,NaN,"",,"",,,,,NaN,,,WLDUTYVSAGSKIV-FUEUKBNZSA-J,"InChI=1S/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t19-,23-,24-,25+,29-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
normete_L,"Normetanephrine",C9H14NO3,1,183.2044,183.0895433,C05589,1237,144308,HMDB0000819,"",normete_L,normete_L,FDB022265,1200,"",normete__L,"Normetanephrine",,,MNXM3674,C00037562,66,97-31-4,,YNYAYWLBAHXHLL-QMMMGPOBSA-N,"InChI=1S/C9H13NO3/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4,8,11-12H,5,10H2,1H3/t8-/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])[C@@]([H])(O[H])C([H])([H])N([H])[H]
np2msucc,"Naphthyl-2-methyl-succinic acid",C15H12O4,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd09818,,,NaN,,,,"",
np2msucccoa,"Naphthyl-2-methyl-succinyl-CoA",C36H43N7O19P3S,-5,0,0,C14116,NaN,NaN,,"",,,,NaN,"",,"",,cpd09819,,,NaN,,,,"",
npthl,"Naphthalene",C10H8,0,128.1705,128.0626003,C00829,931,16482,HMDB0029751,"",npthl,npthl,FDB000954,906,"",npthl,"Naphthalene",,,MNXM163871,C00001259,NaN,91-20-3,DTXSID8020913,UFWIBTONFRDIAS-UHFFFAOYSA-N,"InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H",[H]C1=C([H])C2=C([H])C([H])=C([H])C([H])=C2C([H])=C1[H]
nrpphr,"Norepinephrine",C8H12NO3,1,169.1778,169.0738932,C00547,439260,18357,HMDB0000216,"",nrpphr,nrpphr,FDB000895,388394,"NOREPINEPHRINE",nrpphr,"Norepinephrine",DB00368,,MNXM31869,C00001424,5226,51-41-2,DTXSID5023378,SFLSHLFXELFNJZ-QMMMGPOBSA-O,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1O[H])[C@@]([H])(O[H])C([H])([H])[N+]([H])([H])[H]
nrpphrsf,"Norepinephrine sulfate",C8H11NO6S,0,249.241,249.0307078,,123747,NaN,HMDB0002062,"",nrpphrsf,nrpphrsf,FDB022825,110309,"",nrpphrsf,"",DBMET00549,,MNXM12967,,NaN,77469-51-3,,CVJMZWLHUCMEKO-ZETCQYMHSA-N,"InChI=1S/C8H11NO6S/c9-4-7(11)5-1-2-8(6(10)3-5)15-16(12,13)14/h1-3,7,10-11H,4,9H2,(H,12,13,14)/t7-/m0/s1",[H]OC1=C(OS([O-])(=O)=O)C([H])=C([H])C(=C1[H])[C@@]([H])(O[H])C([H])([H])[N+]([H])([H])[H]
nrvnc,"Nervonic acid",C24H45O2,-1,366.6208,366.3497807,C08323,5281120,44247,HMDB0002368,"",nrvnc,nrvnc,FDB002934,4444565,"",nrvnc,"Nervonic_acid",,cpd05238,MNXM91251,C00001230,262,506-37-6,,GWHCXVQVJPWHRF-KTKRTIGZSA-M,"InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/p-1/b10-9-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
nrvnccoa,"Nervonyl CoA",C45H76N7O17P3S,-4,1116.14,1115.454424,C16532,24892792,NaN,HMDB0060237,"",nrvnccoa,nrvnccoa,,NaN,"",nrvnccoa,"",,cpd16346,MNXM5851,,NaN,,,QHZAQVTVYPHLKK-YVBAAGQKSA-J,"InChI=1S/C45H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h11-12,32-34,38-40,44,55-56H,4-10,13-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b12-11-/t34-,38-,39-,40+,44-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
nrvnccrn,"15Z-Tetracosenoylcarnitine",C31H59NO4,0,0,0,,NaN,NaN,,"",nrvnccrn,,,NaN,"",nrvnccrn,"",,,MNXM8942,,NaN,,,QGIHQXKFCAACHN-LJAQVGFWSA-N,"InChI=1S/C31H59NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h12-13,29H,5-11,14-28H2,1-4H3/t29-/m0/s1",[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
ntm2amep,"N-Trimethyl-2-Aminoethylphosphonate",C5H13NO3P,-1,0,0,C06459,151927,7347,,"",,,,NaN,"",ntm2amep,"",,,MNXM91664,,NaN,,,VCANKBLUHKRQLL-UHFFFAOYSA-M,"InChI=1S/C5H14NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p-1",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])P([O-])([O-])=O
Ntmelys,"Protein N6,N6,N6-Trimethyl-L-Lysine",C3H10X,3,0,0,C05546,NaN,NaN,,"",Ntmelys,Ntmelys,,NaN,"",Ntmelys,"",,cpd12738,MNXM91712,,NaN,,,,"",[H]N([*])C(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
nwharg,"N-(o)-Hydroxyarginine",C6H15N4O3,1,190.2004,190.1065903,C05933,440849,7101,HMDB0004224,"",nwharg,nwharg,FDB023337,389691,"",nwharg,"",,cpd03527,MNXM92470,,NaN,,,FQWRAVYMZULPNK-UHFFFAOYSA-O,"InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/p+1",[H]O\[N+]([H])=C(\N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H]
o2,"Oxygen",O2,0,31.9988,31.98982924,C00007,977,15379,HMDB0001377,"O2",o2,o2,FDB022589,952,"OXYGEN-MOLECULE",o2,"Oxygen",,cpd00007,MNXM4,,3195,7782-44-7,DTXSID2037681,MYMOFIZGZYHOMD-UHFFFAOYSA-N,"InChI=1S/O2/c1-2",O=O
o2s,"Superoxide",O2,-1,31.9988,31.98982924,C00704,5359597,18421,HMDB0002168,"superoxide",o2s,o2s,FDB022880,4514331,"",o2s,"Superoxide",,cpd00532,MNXM330,,NaN,11062-77-4,DTXSID30891408,OUUQCZGPVNCOIJ-UHFFFAOYSA-M,"InChI=1S/HO2/c1-2/h1H/p-1",[O][O-]
oaa,"Oxalacetic acid",C4H2O5,-2,132.0716,132.0058732,C00036,970,30744,HMDB0000223,"",oaa,oaa,FDB001479,945,"OXALACETIC_ACID",oaa,"Oxalacetic acid",,cpd00032,MNXM46,C00001197,123,328-42-7,DTXSID8021646,KHPXUQMNIQBQEV-UHFFFAOYSA-L,"InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-2",[H]C([H])(C([O-])=O)C(=O)C([O-])=O
oagd3_hs,"9-O-Acetylated Gd3",C54H90N3O29FULLRCO,-2,0,0,,NaN,NaN,,"",oagd3_hs,oagd3_hs,,NaN,"",oagd3_hs,"",,,MNXM6987,,NaN,,,,"InChI=1S/C56H95N3O30/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(67)31(57-27(2)63)25-82-51-45(75)44(74)47(38(24-62)84-51)85-52-46(76)50(42(72)36(22-60)83-52)89-56(54(79)80)21-34(69)40(59-29(4)65)49(88-56)43(73)37(23-61)86-55(53(77)78)20-33(68)39(58-28(3)64)48(87-55)41(71)35(70)26-81-30(5)66/h18-19,31-52,60-62,67-76H,6-17,20-26H2,1-5H3,(H,57,63)(H,58,64)(H,59,65)(H,77,78)(H,79,80)/b19-18+/t31-,32+,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50-,51+,52-,55+,56-/m0/s1",[H]OC(=O)[C@]1(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]2([H])O[C@@](O[C@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]4([H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]3([H])O[H])(C(=O)O[H])C([H])([H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])O[C@@]([H])([C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])OC(=O)C([H])([H])[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])C1([H])[H]
oagt3_hs,"9-O-Acetylated Gt3",C65H106N4O37FULLRCO,-3,0,0,,NaN,NaN,,"",oagt3_hs,oagt3_hs,,NaN,"",oagt3_hs,"",,,MNXM6988,,NaN,,,,"",
oazur,"Oxidized azurin",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd12711,,,NaN,,,,"",
oc2coa,"Trans-Oct-2-enoyl-CoA",C29H44N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",oc2coa,"",,cpd03130,MNXM784,,NaN,,,,"",
ocACP,"Octanoyl-ACP (n-C8:0ACP)",C19H35N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",ocACP,"",,cpd11470,MNXM90185,,NaN,,,,"",
occoa,"Octanoyl-CoA",C29H46N7O17P3S,-4,893.73,893.2196734,C01944,380,15533,HMDB0001070,"octanoyl-CoA",occoa,occoa,FDB022409,371,"CPD-196",occoa,"octanoyl-Coenzyme A",,cpd01335,MNXM342,,5982,1264-52-4,,KQMZYOXOBSXMII-ISFBVWQPSA-J,"InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t18-,22-,23-,24+,28-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
ocdca,"Stearic acid",C18H35O2,-1,284.4772,284.2715304,C01530,5281,28842,HMDB0000827,"",ocdca,ocdca,FDB002941,5091,"STEARIC_ACID",ocdca,"Stearic acid",DB03193,cpd01080,MNXM236,C00032087,189,57-11-4,DTXSID8021642,QIQXTHQIDYTFRH-UHFFFAOYSA-M,"InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
ocdcaACP,"Octadecanoyl-ACP (N-C18:0ACP)",C29H55N2O8PRS,-1,0,0,,NaN,NaN,,"",ocdcaACP,,,NaN,"",ocdcaACP,"",,cpd11573,MNXM3075,,NaN,,,,"",
ocdcea,"Oleic acid",C18H33O2,-1,282.4614,282.2558803,C00712,445639,16196,HMDB0000207,"",ocdcea,ocdcea,FDB012858,393217,"OLEATE-CPD",ocdcea,"Oleic acid",,cpd15269,MNXM306,C00001232,190,112-80-1,DTXSID1025809,ZQPPMHVWECSIRJ-KTKRTIGZSA-M,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b10-9-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
ocdcya,"Octadecadienoate (N-C18:2)",C18H31O2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",ocdcya,"",,,MNXM4069,,NaN,,,OYHQOLUKZRVURQ-HZJYTTRNSA-M,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-1/b7-6-,10-9-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
ocdcyaACP,"Octadecynoyl-ACP (N-C18:2ACP)",C29H51N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",ocdcyaACP,"",,,MNXM5248,,NaN,,,,"",
ocde9ecoa,"9-Octadecenoyl Coenzyme A",C39H64N7O17P3S,-4,0,0,,5280355,NaN,,"",ocde9ecoa,ocde9ecoa,,NaN,"",,"",,,,,NaN,,,XDUHQPOXLUAVEE-BPMMELMSSA-J,"InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b12-11-/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
ocdececrn,"Vaccenyl carnitine",C25H47NO4,0,425.645,425.350509,,53477830,NaN,HMDB0006351,"",ocdececrn,ocdececrn,FDB023900,NaN,"",ocdececrn,"",,,MNXM163638,,NaN,,,HITOYGLMAFIRNI-YSESTWPTSA-N,"InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(26(2,3)4)21-22-24(27)28/h10-11,23H,5-9,12-22H2,1-4H3/b11-10+/t23-/m0/s1",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@@]([H])(C([H])([H])C([H])([H])C([O-])=O)[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
ocmhmxbq,"2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone",C48H71O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd03449,,,NaN,,,,"",
octa,"Caprylic acid",C8H15O2,-1,144.2114,144.1150298,C06423,379,28837,HMDB0000482,"",octa,octa,FDB003336,370,"CPD-195",octa,"Caprylic acid",DB04519,cpd03846,MNXM750,C00001231,5469,124-07-2,DTXSID3021645,WWZKQHOCKIZLMA-UHFFFAOYSA-M,"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
octd11ecoa,"11-Octadecenoyl Coenzyme A",C39H64N7O17P3S,-4,0,0,,NaN,NaN,,"",octd11ecoa,octd11ecoa,,NaN,"",,"",,,,,NaN,,,HEJOXXLSCAQQGQ-SAIINBSPSA-J,"InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h9-10,26-28,32-34,38,49-50H,4-8,11-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b10-9-/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
octdececoa,"Octadecenoyl Coenzyme A",C39H64N7O17P3S,-4,0,0,,NaN,NaN,,"",octdececoa,octdececoa,,NaN,"",,"",,,,,NaN,,,SIARJEKBADXQJG-RPMKQXNNSA-J,"InChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/t28-,32-,33-,34+,38-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
octdececrn,"Octadecenoyl Carnitine (Hypothetical, Position Of Double Bond Unknown)",C25H47NO4,0,0,0,,NaN,NaN,,"",octdececrn,octdececrn,,NaN,"",,"",,,,,NaN,,,,"",
octdp,"All-trans-Octaprenyl diphosphate",C40H65O7P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",octdp,"",,cpd02557,MNXM811,,NaN,,,,"",
octe5coa,"5-Octenoyl Coenzyme A",C29H44N7O17P3S,-4,0,0,,NaN,NaN,,"",octe5coa,octe5coa,,NaN,"",,"",,,,,NaN,,,HVXFSYIMAAXCIV-UTHBTJAGSA-J,"InChI=1S/C29H48N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h5-6,16-18,22-24,28,39-40H,4,7-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b6-5-/t18-,22-,23-,24+,28-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
octeACP,"Cis-Octadec-11-Enoyl-[Acyl-Carrier Protein] (N-C18:1)",C29H53N2O8PRS,-1,0,0,,NaN,NaN,,"",octeACP,,,NaN,"",octeACP,"",,cpd11825,MNXM89950,,NaN,,,,"",
od2coa,"trans-Octadec-2-enoyl-CoA",C39H64N7O17P3S,-4,1031.98,1031.360524,C16218,53477850,NaN,HMDB0006529,"trans-2-octadecenoyl-CoA",od2coa,od2coa,FDB023960,NaN,"",od2coa,"",,cpd14937,MNXM954,,NaN,,,NBCCUIHOHUKBMK-ZDDAFBBHSA-J,"InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h18-19,26-28,32-34,38,49-50H,4-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b19-18+/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
odecoa,"Oleoyl-CoA",C39H64N7O17P3S,-4,1031.98,1031.360524,C00510,5280355,15534,HMDB0001322,"",odecoa,odecoa,FDB022554,4444057,"OLEOYL-COA",odecoa,"",,cpd15274,MNXM1848,,6159,1716-06-9,,XDUHQPOXLUAVEE-BPMMELMSSA-J,"InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b12-11-/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
odecrn,"Oleoylcarnitine",C25H47NO4,0,425.654,425.350509,,46907933,84651,HMDB0005065,"",odecrn,odecrn,FDB023614,21403150,"CPD-20402",odecrn,"",,,MNXM8956,,NaN,38677-66-6,,IPOLTUVFXFHAHI-QHCPKHFHSA-N,"InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/t23-/m0/s1",[H]C(=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
oh1,"Hydroxide",HO,-1,17.0073,17.00273965,C01328,961,16234,HMDB0001039,"hydroxide",oh1,oh1,FDB022386,936,"NH4OH",oh1,"Hydroxide",,,MNXM2,,NaN,14280-30-9,DTXSID8074281,XLYOFNOQVPJJNP-UHFFFAOYSA-M,"InChI=1S/H2O/h1H2/p-1",[O-][H]
ohpb,"2-Oxo-3-hydroxy-4-phosphobutanoate",C4H4O8P,-3,0,0,,NaN,NaN,,"",,,,NaN,"",ohpb,"",,cpd03606,MNXM1514,,NaN,,,,"",
oleth,"N-Oleoylethanolamine",C20H39NO2,0,325.5292,325.2980795,,5283454,116103,HMDB0002088,"",,oleth,FDB022839,4446574,"",,"",,,,,NaN,111-58-0,DTXSID1044516,BOWVQLFMWHZBEF-KTKRTIGZSA-N,"InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
omeprazole,"Omeprazole",C17H19N3O3S,0,345.416,345.1147122,C07324,4594,7772,HMDB0001913,"",omeprazole,omeprazole,FDB021863,4433,"",omeprazole,"Omeprazole",DB00338,,MNXM3681,,1632,73590-58-6,DTXSID6021080,SUBDBMMJDZJVOS-UHFFFAOYSA-N,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)",[H]N1C(=NC2=C([H])C(OC([H])([H])[H])=C([H])C([H])=C12)S(=O)C([H])([H])C1=C(C(OC([H])([H])[H])=C(C([H])=N1)C([H])([H])[H])C([H])([H])[H]
omhdecacid,"W-Hydroxydecanoicacid",C10H19O3,-1,0,0,,NaN,NaN,,"",omhdecacid,omhdecacid,,NaN,"",omhdecacid,"",,,MNXM163916,,NaN,,,YJCJVMMDTBEITC-UHFFFAOYSA-M,"InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)/p-1",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
omhdocosac,"W-Hydroxydocosanoicacid",C22H42O3,-1,0,0,,5282922,NaN,,"",omhdocosac,omhdocosac,,NaN,"",,"",,,,,NaN,,,IBPVZXPSTLXWCG-UHFFFAOYSA-M,"InChI=1S/C22H44O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h23H,1-21H2,(H,24,25)/p-1",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
onpthl,"Naphthalene epoxide",C10H8O,0,144.1699,144.0575149,,108063,52431,HMDB0006215,"",onpthl,onpthl,FDB023839,97165,"",onpthl,"",,,MNXM12425,,NaN,17180-88-0,,XQIJIALOJPIKGX-UHFFFAOYSA-N,"InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H",[H]C1=C([H])C([H])=C2C(C([H])=C([H])C3([H])OC23[H])=C1[H]
op4en,"2-Oxopent-4-enoate",C5H5O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",op4en,"",,cpd00461,MNXM9829,,NaN,,,,"",
oretn,"4-Oxo-13-Cis-Retinoate",C20H27O3,-1,0,0,,104857,NaN,,"",oretn,oretn,,NaN,"",oretn,"",,,MNXM6902,,NaN,,,GGCUJPCCTQNTJF-FRCNGJHJSA-M,"InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/p-1/b8-6+,10-9+,14-7+,15-13+",[H]/C(=C(/[H])\C(=C(/[H])C([O-])=O)\C([H])([H])[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C(=O)C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H]
orn,"Ornithine",C5H13N2O2,1,132.161,132.0898776,C00077,6262,15729,HMDB0000214,"",orn,orn,FDB003654,6026,"L-ORNITHINE",orn,"Ornithine",DB00129,cpd00064,MNXM89689,,27,3184-13-2,DTXSID50858851,AHLPHDHHMVZTML-BYPYZUCNSA-O,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+1/t4-/m0/s1",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
orn_D,"D-Ornithine",C5H13N2O2,1,132.161,132.0898776,C00515,71082,16176,HMDB0003374,"",,orn_D,FDB023157,64236,"CPD-217",orn__D,"ornithine",,cpd00404,MNXM1148,,6910,348-66-3,DTXSID30883368,AHLPHDHHMVZTML-SCSAIBSYSA-O,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+1/t4-/m1/s1",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H]
orot,"Orotic acid",C5H3N2O4,-1,156.0963,156.0171066,C00295,967,16742,HMDB0000226,"",orot,orot,FDB012327,942,"OROTATE",orot,"Orotic acid",DB02262,cpd00247,MNXM235,C00019689,318,65-86-1,DTXSID0025814,PXQPEWDEAKTCGB-UHFFFAOYSA-M,"InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)/p-1",[H]N1C(=O)N([H])C(=C([H])C1=O)C([O-])=O
orot5p,"Orotidylic acid",C10H10N2O11P,-3,368.1908,368.0256958,C01103,160617,15842,HMDB0000218,"",orot5p,orot5p,FDB012321,141140,"OROTIDINE-5-PHOSPHATE",orot5p,"Orotidylic acid",,cpd00810,MNXM519,,5228,2149-82-8,,KYOBSHFOBAOFBF-XVFCMESISA-K,"InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/p-3/t4-,6-,7-,8-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N1C(=O)N([H])C(=O)C([H])=C1C([O-])=O
oxa,"Oxalic acid",C2O4,-2,90.0349,89.99530855,C00209,971,16995,HMDB0002329,"",oxa,oxa,FDB003357,946,"CUPRIZONE",oxa,"Oxalic acid",DB03902,cpd00180,MNXM291,C00001198,113,144-62-7,DTXSID0025816,MUBZPKHOEPUJKR-UHFFFAOYSA-L,"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2",[O-]C(=O)C([O-])=O
oxadpcoa,"3-Oxoadipyl-CoA",C27H37N7O20P3S,-5,909.644,909.141817,C02232,9543153,15490,HMDB0060378,"",,,,7822126,"",oxadpcoa,"",,cpd01507,MNXM1264,,NaN,,,VKKKAAPGXHWXOO-BIEWRJSYSA-N,"",
oxag,"Oxaloglutarate (iMM904)",C7H5O7,-3,0,0,,NaN,NaN,,"",,,,NaN,"",oxag,"",,cpd03287,MNXM2929,,NaN,,,,"",
oxalc,"4-Oxalocrotonate",C6H4O5,-2,0,0,,NaN,NaN,,"",,,,NaN,"",oxalc,"",,cpd02183,MNXM6068,,NaN,,,,"",
oxam,"Oxamate",C2H2NO3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",oxam,"",,cpd01027,MNXM3329,,NaN,,,,"",
oxcoa,"Oxalyl-CoA",C23H32N7O19P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd00262,,,NaN,,,,"",
oxglyc,"Oxaloglycolate",C4H2O6,-2,0,0,,NaN,NaN,,"",,,,NaN,"",oxglyc,"",,cpd02186,MNXM523,,NaN,,,,"",
oxomppp9mme,"13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester",C35H31N4O5Mg,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd08630,,,NaN,,,,"",
oxptn,"Glutarate semialdehyde",C5H7O3,-1,116.1152,116.0473441,C03273,439963,39153,HMDB0012233,"",,,FDB028876,388989,"CPD-654",oxptn,"",,cpd02089,MNXM1410,,NaN,,,VBKPPDYGFUZOAJ-UHFFFAOYSA-N,"InChI=1S/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)",
oxur,"Oxalureate",C3H3N2O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",oxur,"",,cpd00596,MNXM1088,,NaN,,,,"",
oxy1rb,"oxypurinol-1-riboside",C10H12N4O7,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
oxy7rb,"oxypurinol-7-riboside",C10H12N4O7,0,0,0,,6336410,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,CYQFEGWHROFKNL-NTRJPUSZSA-N,"InChI=1S/C10H11N4O6/c15-5-2-18-9(7(17)6(5)16)19-14-4-1-11-3-12-8(4)13-10(14)20-14/h1,3,5-7,9,15-17H,2H2/q+1/t5-,6-,7-,9?,14?/m1/s1",
oxyp,"oxypurinol",C5H4N4O2,0,152.1130066,152.0334254,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,2465-59-0,DTXSID4035209,HXNFUBHNUDHIGC-UHFFFAOYSA-N,"",
pa_hs,"Phosphatidate",C3H5O4PFULLRCO2FULLR2CO2,-2,0,0,,NaN,NaN,,"",pa_hs,pa_hs,,NaN,"",pa_hs,"",,,MNXM77635,,NaN,,,,"",[H]C([H])(OC([*])=O)C([H])(OC([*])=O)C([H])([H])OP([O-])([O-])=O
pa120,"1,2-didodecanoyl-sn-glycerol 3-phosphate",C27H51O8P1,-2,0,0,,NaN,NaN,,"",,,,NaN,"",pa120,"",,cpd15521,MNXM90509,,NaN,,,,"",
pa140,"1,2-ditetradecanoyl-sn-glycerol 3-phosphate",C31H59O8P1,-2,0,0,,NaN,NaN,,"",,,,NaN,"",pa140,"",,cpd15522,MNXM51017,,NaN,,,,"",
pa141,"1,2-ditetradec-7-enoyl-sn-glycerol 3-phosphate",C31H55O8P1,-2,0,0,,NaN,NaN,,"",,,,NaN,"",pa141,"",,cpd15523,MNXM90512,,NaN,,,,"",
pa160,"1,2-dihexadecanoyl-sn-glycerol 3-phosphate",C35H67O8P1,-2,0,0,,NaN,NaN,,"",,,,NaN,"",pa160,"",,cpd15524,MNXM17312,,NaN,,,,"",
pa161,"1,2-dihexadec-9-enoyl-sn-glycerol 3-phosphate",C35H63O8P1,-2,0,0,,NaN,NaN,,"",,,,NaN,"",pa161,"",,cpd15525,MNXM90510,,NaN,,,,"",
pa180,"1,2-dioctadecanoyl-sn-glycerol 3-phosphate",C39H75O8P1,-2,0,0,,NaN,NaN,,"",,,,NaN,"",pa180,"",,cpd15526,MNXM51279,,NaN,,,,"",
pa181,"1,2-dioctadec-11-enoyl-sn-glycerol 3-phosphate",C39H71O8P1,-2,0,0,,NaN,NaN,,"",,,,NaN,"",pa181,"",,cpd15527,MNXM90511,,NaN,,,,"",
paai15,"1,2-dianteisopentadecanoyl-sn-glycerol 3-phosphate (12-methyl-tetradecanoyl, anteiso-C15)",C33H63O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15681,,,NaN,,,,"",
paai17,"1,2-dianteisoheptadecanoyl-sn-glycerol 3-phosphate (14-methyl-hexadecanoyl, anteiso-C17)",C37H71O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15678,,,NaN,,,,"",
pac,"Phenylacetic acid",C8H7O2,-1,136.1479,136.0524295,C07086,999,30745,HMDB0000209,"",pac,pac,FDB010558,10181341,"PHENYLACETATE",pac,"Phenylacetic_acid",,cpd00430,MNXM497,C00000750,129,103-82-2,DTXSID3051626,WLJVXDMOQOGPHL-UHFFFAOYSA-M,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1",[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([O-])=O
pacald,"Phenylacetaldehyde",C8H8O,0,120.1485,120.0575149,C00601,998,16424,HMDB0006236,"",pacald,pacald,FDB012238,13876539,"HYDRPHENYLAC-CPD",pacald,"PAA",,cpd00464,MNXM473,C00007535,NaN,122-78-1,DTXSID3021483,DTUQWGWMVIHBKE-UHFFFAOYSA-N,"InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2",[H]C(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
pad,"2-Phenylacetamide",C8H9NO,0,0,0,,NaN,NaN,HMDB0010715,"",,,,NaN,"",pad,"",,cpd01647,MNXM2073,,NaN,,,,"",
paf_hs,"PC(18:1(9Z)e/2:0)",C11H23O4NPFULLRCO2,0,549.7205,549.3794397,C04598,16759362,847856,HMDB0011148,"",paf_hs,paf_hs,FDB027923,24766792,"",paf_hs,"",,,MNXM1973,,NaN,,,ZBOQHUSCQCEBGK-JLRCLJKCSA-N,"",[H]C([H])([H])C(=O)O[C@]([H])(C([H])([H])O[*])C([H])([H])OP([O-])(=O)OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pai14,"1,2-diisotetradecanoyl-sn-glycerol 3-phosphate (12-methyl-tridecanoyl, iso-C14)",C31H59O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15679,,,NaN,,,,"",
pai15,"1,2-diisopentadecanoyl-sn-glycerol 3-phosphate (13-methyl-tetradecanoyl, iso-C15)",C33H63O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15680,,,NaN,,,,"",
pai16,"1,2-diisohexadecanoyl-sn-glycerol 3-phosphate (14-methyl-pentadecanoyl, iso-C16)",C35H67O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15682,,,NaN,,,,"",
pai17,"1,2-diisoheptadecanoyl-sn-glycerol 3-phosphate (15-methyl-hexadecanoyl, iso-C17)",C37H71O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15677,,,NaN,,,,"",
pail_hs,"1-Phosphatidyl-1D-Myo-Inositol",C9H16O9PFULLRCO2FULLR2CO2,-1,0,0,,NaN,NaN,,"",pail_hs,pail_hs,,NaN,"",pail_hs,"",,,MNXM2416,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OP([O-])(=O)OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O)[C@]([H])(O[H])[C@]1([H])O[H]
pail345p_hs,"Phosphatidylinositol-3,4,5-trisphosphate",C9H13O18P4FULLRCO2FULLR2CO2,-7,644.2008,643.9709685,C05981,NaN,16618,HMDB0004249,"",pail345p_hs,pail345p_hs,FDB023351,NaN,"PHOSPHATIDYL-INOSITOL-345-TRISPHOSPHAT",pail345p_hs,"",,,MNXM90654,,NaN,,,RQQIRMLGKSPXSE-UQPICLANSA-N,"",[H]O[C@@]1([H])[C@@]([H])(OP([O-])(=O)OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O)[C@]([H])(O[H])[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@@]1([H])OP([O-])([O-])=O
pail34p_hs,"1-Phosphatidyl-1D-Myo-Inositol 3,4-Bisphosphate",C9H14O15P3FULLRCO2FULLR2CO2,-5,0,0,C11554,NaN,16152,,"",pail34p_hs,pail34p_hs,,NaN,"",pail34p_hs,"",,,MNXM90428,,NaN,,,,"",[H]O[C@]1([H])[C@@]([H])(O[H])[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@@]([H])(O[H])[C@@]1([H])OP([O-])(=O)OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O
pail35p_hs,"1-Phosphatidyl-1D-Myo-Inositol 3,5-Bisphosphate",C9H14O15P3FULLRCO2FULLR2CO2,-5,0,0,C11556,NaN,NaN,,"",pail35p_hs,pail35p_hs,,NaN,"",pail35p_hs,"",,,MNXM7658,,NaN,,,,"",[H]O[C@@]1([H])[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]([H])(OP([O-])(=O)OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O)[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
pail3p_hs,"1-Phosphatidyl-1D-myo-inositol 3-phosphate",C9H15O12P2FULLRCO2FULLR2CO2,-3,470.2144,470.0226576,C04549,6857403,17283,HMDB0003850,"",pail3p_hs,pail3p_hs,FDB023237,5256742,"CPD-177",pail3p_hs,"Phosphatidylinositol 3-phosphate",,,MNXM90514,,6985,,,YKMGQFUXYYTRLF-SLJXNWFNSA-N,"",[H]O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(OP([O-])([O-])=O)[C@@]([H])(O[H])[C@@]([H])(OP([O-])(=O)OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O)[C@]1([H])O[H]
pail45p_hs,"Phosphatidylinositol 4,5-Bisphosphate",C9H14O15P3FULLRCO2FULLR2CO2,-5,0,0,C04637,NaN,28910,,"",pail45p_hs,pail45p_hs,,NaN,"",pail45p_hs,"",,,MNXM2711,,NaN,,,,"",[H]O[C@]1([H])[C@]([H])(O[H])[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]1([H])OP([O-])(=O)OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O
pail4p_hs,"1-Phosphatidyl-1D-Myo-Inositol 4-Phosphate",C9H15O12P2FULLRCO2FULLR2CO2,-3,0,0,C01277,NaN,17526,,"",pail4p_hs,pail4p_hs,,NaN,"",pail4p_hs,"",,,MNXM2456,,NaN,,,,"",[H]O[C@@]1([H])[C@@]([H])(O[H])[C@@]([H])(OP([O-])(=O)OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
pail5p_hs,"1-Phosphatidyl-1D-Myo-Inositol 5-Phosphate",C9H15O12P2FULLRCO2FULLR2CO2,-3,0,0,C11557,NaN,16500,,"",pail5p_hs,pail5p_hs,,NaN,"",pail5p_hs,"",,,MNXM4242,,NaN,,,,"",[H]O[C@]1([H])[C@@]([H])(O[H])[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(O[H])[C@]([H])(OP([O-])(=O)OC([H])([H])[C@]([H])(OC([*])=O)C([H])([H])OC([*])=O)[C@]1([H])O[H]
pailar_hs,"1-Arachidonoylglycerophosphoinositol",C29H48O12P,-1,0,0,,NaN,NaN,,"",,pailar_hs,,NaN,"",,"",,,,,NaN,,,LXUGKKVCSTYZFK-VYESIODOSA-M,"InChI=1S/C29H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)39-20-22(30)21-40-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,12-13,15-16,22,24-30,32-36H,2-5,8,11,14,17-21H2,1H3,(H,37,38)/p-1/b7-6?,10-9?,13-12?,16-15-/t22-,24-,25-,26+,27-,28-,29-/m1/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP([O-])(=O)O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
pailpalm_hs,"1-Palmitoylglycerophosphoinositol",C25H48O12P,-1,0,0,,NaN,NaN,,"",,pailpalm_hs,,NaN,"",,"",,,,,NaN,,,UOXRPRZMAROFPH-OAOCPRPWSA-M,"InChI=1S/C25H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h18,20-26,28-32H,2-17H2,1H3,(H,33,34)/p-1/t18-,20-,21-,22+,23-,24-,25-/m1/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP([O-])(=O)O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
pailste_hs,"1-Stearoylglycerophosphoinositol",C27H52O12P,-1,0,0,,NaN,NaN,,"",,pailste_hs,,NaN,"",,"",,,,,NaN,,,MXAFDFDAIFZFET-CZDOQZASSA-M,"InChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h20,22-28,30-34H,2-19H2,1H3,(H,35,36)/p-1/t20-,22-,23-,24+,25-,26-,27-/m1/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP([O-])(=O)O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
palmACP,"Palmitoyl-ACP (N-C16:0ACP)",C27H51N2O8PRS,-1,0,0,C05764,NaN,NaN,,"",palmACP,,,NaN,"",palmACP,"",,cpd15277,MNXM2026,,NaN,,,,"",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)S[*]
palmtca1,"Palmitoyllipoteichoic acid (n=24), linked, unsubstituted",C119H232O135P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15746,,,NaN,,,,"",
palmtcaacgam,"Palmitoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine",C311H544N24O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15764,,,NaN,,,,"",
palmtcaala_D,"Palmitoyllipoteichoic acid (n=24), linked, D-alanine substituted",C191H328O135N24P24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15773,,,NaN,,,,"",
palmtcaglc,"Palmitoyllipoteichoic acid (n=24), linked, glucose substituted",C263H472O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15755,,,NaN,,,,"",
pan4p,"Pantetheine 4'-phosphate",C11H21N2O7PS,-2,358.348,358.0963583,C01134,987,16858,HMDB0001416,"",pan4p,pan4p,FDB022609,962,"PANTETHEINE-P",pan4p,"",,cpd00834,MNXM373,C00007448,NaN,2226-71-3,,JDMUPRLRUUMCTL-UHFFFAOYSA-L,"InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/p-2",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])([O-])=O
pant_R,"(R)-Pantoate",C6H11O4,-1,0,0,,NaN,NaN,,"",,,,NaN,"",pant__R,"",,cpd00408,MNXM593,,NaN,,,,"",
pap,"Adenosine 3',5'-diphosphate",C10H11N5O10P2,-4,427.2011,427.0294147,C00054,159296,17985,HMDB0000061,"",pap,pap,FDB021887,140102,"3-5-ADP",pap,"",,cpd00045,MNXM45,C00019352,NaN,1053-73-2,,WHTCPDAXWFLDIH-KQYNXXCUSA-J,"InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/p-4/t4-,6-,7-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])OP([O-])([O-])=O)N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
paps,"Phosphoadenosine phosphosulfate",C10H11N5O13P2S,-4,507.264,506.9862293,C00053,10214,17980,HMDB0001134,"",paps,paps,FDB022445,9799,"PAPS",paps,"Phosphoadenosine phosphosulfate",,cpd00044,MNXM49,C00007446,6028,482-67-7,,GACDQMDRPRGCTN-KQYNXXCUSA-J,"InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/p-4/t4-,6-,7-,10-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OS([O-])(=O)=O)[C@@]1([H])OP([O-])([O-])=O)N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
pb,"Lead",Pb,2,0,0,,NaN,NaN,HMDB0004628,"",,,,NaN,"",,"",,cpd04097,,,NaN,,,,"",
pchol_hs,"Phosphatidylcholine",C8H18NO4PFULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",pchol_hs,pchol_hs,,NaN,"",pchol_hs,"",,,MNXM2028,,NaN,8002-43-5,DTXSID3021279,,"",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])OP([O-])(=O)OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
pchol2linl_hs,"2-Linoleoylglycerophosphocholine",C26H51NO7P,0,0,0,,NaN,NaN,,"",,pchol2linl_hs,,NaN,"",,"",,,,,NaN,,,XFUBHUALKATHPX-AYTACHTASA-O,"InChI=1S/C27H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)35-26(24-29)25-34-36(31,32)33-23-22-28(2,3)4/h10-11,13-14,26,29H,5-9,12,15-25H2,1-4H3/p+1/b11-10?,14-13-",[H]OC([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pchol2ole_hs,"2-Oleoylglycerophosphocholine",C26H53NO7P,0,0,0,,NaN,NaN,,"",,pchol2ole_hs,,NaN,"",,"",,,,,NaN,,,SULIDBRAXVDKBU-SEYXRHQNSA-O,"InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/p+1/b13-12-",[H]OC([H])([H])C([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pchol2palm_hs,"2-Palmitoylglycerophosphocholine",C24H51NO7P,0,0,0,,NaN,NaN,,"",,pchol2palm_hs,,NaN,"",,"",,,,,NaN,,,AGHWJZIEMKQLQP-JOCHJYFZSA-N,"InChI=1S/C23H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24(2,3)4/h22,25H,5-21H2,1-4H3/t22-/m1/s1",[H]OC([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP([O-])(=O)OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pchol2ste_hs,"2-Stearoylglycerophosphocholine",C26H55NO7P,0,0,0,,NaN,NaN,,"",,pchol2ste_hs,,NaN,"",,"",,,,,NaN,,,ARQYPVZFUYHQFR-UHFFFAOYSA-N,"InChI=1S/C26H55NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3,(H,30,31)",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholar_hs,"1-Arachidonoyl-Glycero-3-Phosphocholine",C28H51NO7P,0,0,0,,NaN,NaN,,"",,pcholar_hs,,NaN,"",,"",,,,,NaN,,,LAXQYRRMGGEGOH-CMSATSMOSA-O,"InChI=1S/C28H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,15-16,18-19,27,30H,5-8,11,14,17,20-26H2,1-4H3/p+1/b10-9-,13-12-,16-15-,19-18?/t27-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])O[P@](=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholdoc_hs,"1-Docosahexaenoylglycerophosphocholine",C34H59NO7P,0,0,0,,NaN,NaN,,"",,pcholdoc_hs,,NaN,"",,"",,,,,NaN,,,GIGKZZCXYJVNSX-UMVCUSMKSA-O,"InChI=1S/C34H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34(37)40-31-33(36)32-42-43(38,39)41-30-29-35(2,3)4/h10-11,13-14,16-17,19-20,22-23,25-26,33,36H,5-9,12,15,18,21,24,27-32H2,1-4H3/p+1/b11-10+,14-13+,17-16+,20-19+,23-22+,26-25+",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholeic_hs,"1-Eicosadienoylglycerophosphocholine (Delta 11,14)",C28H55NO7P,0,0,0,,NaN,NaN,,"",,pcholeic_hs,,NaN,"",,"",,,,,NaN,,,YYQVCMMXPIJVHY-UTJQPWESSA-O,"InChI=1S/C28H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,27,30H,5-8,11,14-26H2,1-4H3/p+1/b10-9-,13-12-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholet_hs,"1-Eicosatrienoylglycerophosphocholine (Delta 11, 14, 17)",C28H53NO7P,0,0,0,,NaN,NaN,,"",,pcholet_hs,,NaN,"",,"",,,,,NaN,,,XUDGAAFUMTTZCO-SAAUORLLSA-O,"InChI=1S/C28H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,27,30H,5,8,11,14-26H2,1-4H3/p+1/b7-6+,10-9-,13-12-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholhep_hs,"LysoPC(17:0)",C25H53NO7P,0,509.6566,509.3481395,C04230,24779463,580913,HMDB0012108,"",,pcholhep_hs,FDB028772,24694752,"",,"",,,,,NaN,,,SRRQPVVYXBTRQK-DEOSSOPVSA-O,"InChI=1S/C25H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26(2,3)4/h24,27H,5-23H2,1-4H3/p+1/t24-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pchollinl_hs,"1-Linoleoylglycerophosphocholine (Delta 9,12)",C26H51NO7P,0,0,0,,NaN,NaN,,"",,pchollinl_hs,,NaN,"",,"",,,,,NaN,,,SPJFYYJXNPEZDW-YMVLYFQPSA-O,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/p+1/b10-9-,13-12-/t25-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholmyr_hs,"LysoPC(18:1(11Z))",C22H47NO7P,0,521.6673,521.3481395,C04230,53480465,NaN,HMDB0010385,"",,pcholmyr_hs,FDB027536,24766526,"PHOSPHATIDYLCHOLINE",,"Lecithin",,,,,NaN,,,VXUOFDJKYGDUJI-NRFANRHFSA-O,"InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/p+1/t21-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn15_hs,"1-Pentadecanoylglycerophosphocholine, Sn1-Lpc (15:0)",C23H49NO7P,0,0,0,,NaN,NaN,,"",,pcholn15_hs,,NaN,"",,"",,,,,NaN,,,RJZVWDTYEWCUAR-QFIPXVFZSA-O,"InChI=1S/C23H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24(2,3)4/h22,25H,5-21H2,1-4H3/p+1/t22-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn183_hs,"1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 9, 12, 15)",C26H49NO7P,0,0,0,,NaN,NaN,,"",,pcholn183_hs,,NaN,"",,"",,,,,NaN,,,WKQNRCYKYCKESD-GRLZJIHZSA-O,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/p+1/b7-6+,10-9+,13-12+/t25-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn1836_hs,"1-Octadeca-Trienoylglycerophosphocholine, Sn1-Lpc (18:3, Delta 6, 9, 12)",C26H49NO7P,0,0,0,,NaN,NaN,,"",,pcholn1836_hs,,NaN,"",,"",,,,,NaN,,,MRTUWVDDQVMUCR-YTVFJXBYSA-O,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,15-16,25,28H,5-8,11,14,17-24H2,1-4H3/p+1/b10-9+,13-12+,16-15+/t25-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn19_hs,"1-Nonadecanoylglycerophosphocholine, Sn1-Lpc (19:0)",C27H57NO7P,0,0,0,,NaN,NaN,,"",,pcholn19_hs,,NaN,"",,"",,,,,NaN,,,WYIMORDZGCUBAA-SANMLTNESA-O,"InChI=1S/C27H56NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28(2,3)4/h26,29H,5-25H2,1-4H3/p+1/t26-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn201_hs,"1-Eicosenoylglycerophosphocholine (Delta 11) ,Sn1-Lpc (20:1)",C28H57NO7P,0,0,0,,NaN,NaN,,"",,pcholn201_hs,,NaN,"",,"",,,,,NaN,,,YYSFWGQAKJTHRE-QSRYBZNWSA-O,"InChI=1S/C28H56NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h12-13,27,30H,5-11,14-26H2,1-4H3/p+1/b13-12+/t27-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn203_hs,"1-Dihomo-Linolenoylglycerophosphocholine (20:3, Delta 8, 11, 14), Lysopc A C20:3",C28H53NO7P,0,0,0,,NaN,NaN,,"",,pcholn203_hs,,NaN,"",,"",,,,,NaN,,,BBNHCUBQEQJHIG-ARVQJMHYSA-O,"InChI=1S/C28H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,15-16,27,30H,5-8,11,14,17-26H2,1-4H3/p+1/b10-9-,13-12?,16-15-/t27-/m1/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn204_hs,"LysoPC(20:4(8Z,11Z,14Z,17Z))",C28H51NO7P,0,543.6729,543.3324895,C04230,53480469,NaN,HMDB0010396,"",,pcholn204_hs,FDB027547,24766532,"PHOSPHATIDYLCHOLINE",,"Lecithin",,,,,NaN,,,GOMVPVRDBLLHQC-LRTGODIXSA-N,"InChI=1S/C28H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,27,30H,5,8,11,14,17-26H2,1-4H3/b7-6?,10-9?,13-12-,16-15-/t27-/m1/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])OP([O-])(=O)OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn205_hs,"1-Eicosapentenoylglycerophosphocholine (Delta 5, 8, 11, 14, 17), Sn1-Lpc (20:5)",C28H49NO7P,0,0,0,,NaN,NaN,,"",,pcholn205_hs,,NaN,"",,"",,,,,NaN,,,PDIGSOAOQOXRDU-TYHDVWHYSA-O,"InChI=1S/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3/p+1/b7-6+,10-9+,13-12+,16-15+,19-18+/t27-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn224_hs,"1-Docosatetraenoylglycerophosphocholine (Delta 7, 10, 13, 16), Sn1-Lpc (22:4)",C30H55NO7P,0,0,0,,NaN,NaN,,"",,pcholn224_hs,,NaN,"",,"",,,,,NaN,,,ZOJBSSVHFSBHMP-ATKXNSTESA-O,"InChI=1S/C30H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h9-10,12-13,15-16,18-19,29,32H,5-8,11,14,17,20-28H2,1-4H3/p+1/b10-9+,13-12+,16-15+,19-18+/t29-/m1/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn225_hs,"1-Docosapentenoylglycerophosphocholine (Delta 7, 10, 13, 16, 19), Sn1-Lpc (22:5)-W3",C30H53NO7P,0,0,0,,NaN,NaN,,"",,pcholn225_hs,,NaN,"",,"",,,,,NaN,,,BIEOSECQPGGZMF-XIKXJVEWSA-O,"InChI=1S/C30H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h6-7,9-10,12-13,15-16,18-19,29,32H,5,8,11,14,17,20-28H2,1-4H3/p+1/b7-6+,10-9+,13-12+,16-15+,19-18+/t29-/m1/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn2254_hs,"1-Docosapentenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16), Sn1-Lpc (22:5)-W6",C30H53NO7P,0,0,0,,NaN,NaN,,"",,pcholn2254_hs,,NaN,"",,"",,,,,NaN,,,YBUXFQUGNPBZPS-CQRKTUBGSA-O,"InChI=1S/C30H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h9-10,12-13,15-16,18-19,21-22,29,32H,5-8,11,14,17,20,23-28H2,1-4H3/p+1/b10-9+,13-12+,16-15+,19-18+,22-21+/t29-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn226_hs,"1-Docosahexenoylglycerophosphocholine (Delta 4, 7, 10, 13, 16, 19), Sn1-Lpc (22:6)",C30H51NO7P,0,0,0,,NaN,NaN,,"",,pcholn226_hs,,NaN,"",,"",,,,,NaN,,,LSOWKZULVQWMLY-ZPXRMYCNSA-O,"InChI=1S/C30H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,29,32H,5,8,11,14,17,20,23-28H2,1-4H3/p+1/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21-/t29-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn24_hs,"LysoPC(24:0)",C32H67NO7P,0,607.8427,607.45769,C04230,24779481,NaN,HMDB0010405,"",,pcholn24_hs,FDB027556,24766539,"PHOSPHATIDYLCHOLINE",,"Lecithin",,,,,NaN,,,SKJMUADLQLZAGH-WJOKGBTCSA-N,"InChI=1S/C32H66NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-32(35)38-29-31(34)30-40-41(36,37)39-28-27-33(2,3)4/h31,34H,5-30H2,1-4H3/t31-/m1/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP([O-])(=O)OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn261_hs,"Lysopc A C26:1 (Delta 5)",C34H69NO7P,0,0,0,,NaN,NaN,,"",,pcholn261_hs,,NaN,"",,"",,,,,NaN,,,HHNUOPXCCKOIPL-OCOZRVBESA-O,"InChI=1S/C34H68NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34(37)40-31-33(36)32-42-43(38,39)41-30-29-35(2,3)4/h24-25,33,36H,5-23,26-32H2,1-4H3/p+1/b25-24+",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn28_hs,"Lysopc A C28:0",C36H75NO7P,0,0,0,,NaN,NaN,,"",,pcholn28_hs,,NaN,"",,"",,,,,NaN,,,VPAMUPUPKCTFGJ-DHUJRADRSA-N,"InChI=1S/C36H74NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36(39)42-33-35(38)34-44-45(40,41)43-32-31-37(2,3)4/h35,38H,5-34H2,1-4H3/t35-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP([O-])(=O)OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholn281_hs,"Lysopc A C28:1 (Delta 5)",C36H73NO7P,0,0,0,,NaN,NaN,,"",,pcholn281_hs,,NaN,"",,"",,,,,NaN,,,VCXKVGMRVJRCIV-CYYJNZCTSA-O,"InChI=1S/C36H72NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36(39)42-33-35(38)34-44-45(40,41)43-32-31-37(2,3)4/h26-27,35,38H,5-25,28-34H2,1-4H3/p+1/b27-26+",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholole_hs,"LysoPC(18:1(9Z))",C26H53NO7P,0,521.6673,521.3481395,C04230,16081932,NaN,HMDB0002815,"",,pcholole_hs,FDB023066,17240641,"PHOSPHATIDYLCHOLINE",,"",,,,,184,3542-29-8,,YAMUFBLWGFFICM-AYZYJWAHSA-O,"InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/p+1/b13-12-/t25-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholpalm_hs,"1-Palmitoylglycerophosphocholine",C24H51NO7P,0,0,0,,NaN,NaN,,"",,pcholpalm_hs,,NaN,"",,"",,,,,NaN,,,ASWBNKHCZGQVJV-QHCPKHFHSA-O,"InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/p+1/t23-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholpalme_hs,"1-Palmitoleoylglycerophosphocholine (Delta 9)",C24H49NO7P,0,0,0,,NaN,NaN,,"",,pcholpalme_hs,,NaN,"",,"",,,,,NaN,,,LFUDDCMNKWEORN-JCKUYFFHSA-O,"InChI=1S/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/p+1/b11-10-/t23-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcholste_hs,"LysoPC(18:0)",C26H55NO7P,0,523.6832,523.3637896,C04230,497299,NaN,HMDB0010384,"",,pcholste_hs,FDB027535,435389,"CPD-8345",,"Lecithin",,,,,NaN,,,IHNKQIMGVNPMTC-VWLOTQADSA-O,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/p+1/t25-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcollg5hlys,"5-Hydroxylysine",C6H14N2O3,0,162.187,162.1004423,C16741,3032849,18040,HMDB0000450,"",pcollg5hlys,pcollg5hlys,FDB012682,2297721,"CPD-7689",pcollg5hlys,"Hydroxylysine",,cpd00889,MNXM5281,,5439,1190-94-9,,YSMODUONRAFBET-CRCLSJGQSA-N,"InChI=1S/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m0/s1",[H]O[C@@]([H])(C([H])([H])[N+]([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C([O-])=O
pcollglys,"Procollagen L-Lysine",C7H14N3O2R2,1,0,0,C16740,NaN,NaN,,"",pcollglys,,,NaN,"",pcollglys,"",,,MNXM149166,,NaN,,,,"",[H]N([*])C(=O)[C@@]([H])(N([H])C([*])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
pcreat,"Phosphocreatine",C4H8N3O5P,-2,211.1131,211.035807,C02305,587,17287,HMDB0001511,"",pcreat,pcreat,FDB022665,567,"CREATINE-P",pcreat,"Creatine phosphate",,,MNXM91273,,6288,67-07-2,DTXSID0058776,DRBBFCLWYRJSJZ-UHFFFAOYSA-M,"InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)/p-1",[H]OP([O-])(=O)N([H])C(=[N+]([H])[H])N(C([H])([H])[H])C([H])([H])C([O-])=O
pcresol,"p-Cresol",C7H7O,-1,108.1378,108.0575149,C01468,2879,17847,HMDB0001858,"",,pcresol,FDB008789,13839082,"CPD-108",,"p-Cresol",,,,C00002645,4236,106-44-5,DTXSID7021869,IWDCLRJOBJJRNH-UHFFFAOYSA-M,"InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3/p-1",[H]C1=C([H])C(=C([H])C([H])=C1[O-])C([H])([H])[H]
pcrn,"Propionylcarnitine",C10H19NO4,0,217.2622,217.1314081,C03017,107738,28867,HMDB0000824,"",pcrn,pcrn,FDB022268,96904,"",pcrn,"",,,MNXM6397,,5787,17298-37-2,DTXSID40173883,UFAHZIUFPNSHSL-UHFFFAOYSA-N,"InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3",[H]C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pcs,"p-Cresol sulfate",C7H7O4S,-1,188.201,188.0143294,,4615423,82914,HMDB0011635,"",,pcs,FDB028333,3806481,"",,"",,,,,NaN,3233-58-7,DTXSID80404921,WGNAKZGUSRVWRH-UHFFFAOYSA-M,"InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1",[H]C1=C([H])C(=C([H])C([H])=C1OS([O-])(=O)=O)C([H])([H])[H]
pd3,"Previtamin D3",C27H44O,0,384.6377,384.339216,C07711,11199982,NaN,HMDB0006500,"",pd3,pd3,FDB023943,9375051,"",pd3,"Previtamin D3",,,MNXM7697,,NaN,1173-13-3,,YUGCAAVRZWBXEQ-WHTXLNIXSA-N,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C(\C([H])=C(\[H])C2=C([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])C1([H])[H]
pdx5p,"Pyridoxine 5'-phosphate",C8H10NO6P,-2,249.1577,249.0402236,C00627,1055,28803,HMDB0001319,"",pdx5p,pdx5p,FDB022552,1026,"PYRIDOXINE-5P",pdx5p,"",,cpd00478,MNXM454,C00007505,6156,447-05-2,DTXSID80196278,WHOMFKWHIQZTHY-UHFFFAOYSA-L,"InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)/p-2",[H]OC1=C(N=C([H])C(=C1C([H])([H])O[H])C([H])([H])OP([O-])([O-])=O)C([H])([H])[H]
pe_hs,"Phosphatidylethanolamine",C5H12NO4PFULLRCO2FULLR2CO2,0,0,0,,NaN,16038,,"",pe_hs,pe_hs,,NaN,"",pe_hs,"",,,MNXM115,,NaN,,,LVNGJLRDBYCPGB-KDXMTYKHSA-O,"InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/p+1/t39-/m0/s1",[H]O[P@@](=O)(OC([H])([H])C([H])([H])[N+]([H])([H])[H])OC([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
pe12_hs,"1-Didecanoylglycerophosphoethanolamine (C12:0 Pe)",C17H36NO7P,0,0,0,,NaN,NaN,,"",,pe12_hs,,NaN,"",,"",,,,,NaN,,,IZDRGPDUDLWAGR-UHFFFAOYSA-N,"InChI=1S/C17H36NO7P/c1-2-3-4-5-6-7-8-9-10-11-17(20)23-14-16(19)15-25-26(21,22)24-13-12-18/h16,19H,2-15,18H2,1H3,(H,21,22)",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
pe120,"Phosphatidylethanolamine (didodecanoyl, n-C12:0)",C29H58N1O8P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",pe120,"",,cpd15528,MNXM2858,,NaN,,,,"",
pe13_hs,"1-Tridecanoylglycerophosphoethanolamine (C13:0 Pe)",C18H38NO7P,0,0,0,,NaN,NaN,,"",,pe13_hs,,NaN,"",,"",,,,,NaN,,,IJTWJFQIBBDJJI-UHFFFAOYSA-N,"InChI=1S/C18H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-18(21)24-15-17(20)16-26-27(22,23)25-14-13-19/h17,20H,2-16,19H2,1H3,(H,22,23)",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
pe14_hs,"1-Myristoylglycerophosphoethanolamine (C14:0 Pe)",C19H40NO7P,0,0,0,,NaN,NaN,,"",,pe14_hs,,NaN,"",,"",,,,,NaN,,,RPXHXZNGZBHSMJ-UHFFFAOYSA-N,"InChI=1S/C19H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h18,21H,2-17,20H2,1H3,(H,23,24)",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
pe140,"Phosphatidylethanolamine (ditetradecanoyl, n-C14:0)",C33H66N1O8P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",pe140,"",,cpd15529,MNXM2859,,NaN,,,,"",
pe141,"Phosphatidylethanolamine (ditetradec-7-enoyl, n-C14:1)",C33H62N1O8P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",pe141,"",,cpd15530,MNXM3693,,NaN,,,,"",
pe15_hs,"1-Pentadecanoylglycerophosphoethanolamine (C15:0 Pe)",C20H42NO7P,0,0,0,,NaN,NaN,,"",,pe15_hs,,NaN,"",,"",,,,,NaN,,,GIUNBNKDUHWVHI-IBGZPJMESA-N,"InChI=1S/C20H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(23)28-19(17-22)18-27-29(24,25)26-16-15-21/h19,22H,2-18,21H2,1H3,(H,24,25)/t19-/m0/s1",[H]OC([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
pe160,"Phosphatidylethanolamine (dihexadecanoyl, n-C16:0)",C37H74N1O8P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",pe160,"",,cpd15531,MNXM32178,,NaN,,,,"",
pe161,"Phosphatidylethanolamine (dihexadec-9enoyl, n-C16:1)",C37H70N1O8P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",pe161,"",,cpd15532,MNXM71458,,NaN,,,,"",
pe161_hs,"1-Hexadecenoylglycerophosphoethanolamine (C16:1 Pe, Delta 9)",C21H42NO7P,0,0,0,,NaN,NaN,,"",,pe161_hs,,NaN,"",,"",,,,,NaN,,,DSOWUEHXZJUNID-BQYQJAHWSA-N,"InChI=1S/C21H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h7-8,20,23H,2-6,9-19,22H2,1H3,(H,25,26)/b8-7+",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
pe17_hs,"1-Heptadecanoylglycerophosphoethanolamine (C17:0 Pe)",C22H46NO7P,0,0,0,,NaN,NaN,,"",,pe17_hs,,NaN,"",,"",,,,,NaN,,,RVNBVQKDPQVSOY-UHFFFAOYSA-N,"InChI=1S/C22H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h21,24H,2-20,23H2,1H3,(H,26,27)",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
pe180,"Phosphatidylethanolamine (dioctadecanoyl, n-C18:0)",C41H82N1O8P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",pe180,"",,cpd15533,MNXM31536,,NaN,,,,"",
pe181,"Phosphatidylethanolamine (dioctadec-11-enoyl, n-C18:1)",C41H78N1O8P1,0,0,0,,NaN,NaN,,"",,,,NaN,"",pe181,"",,cpd15534,MNXM2150,,NaN,,,,"",
pe203_hs,"1-Eicosatrienoylglycerophosphoethanolamine (Delta 11, 14, 17), Lpe (20:3)",C25H46NO7P,0,0,0,,NaN,NaN,,"",,pe203_hs,,NaN,"",,"",,,,,NaN,,,UEONHLLDVDPRRN-VKZRBKSOSA-N,"InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h3-4,6-7,9-10,24,27H,2,5,8,11-23,26H2,1H3,(H,29,30)/b4-3+,7-6+,10-9+/t24-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
pe224_hs,"1-Docosatetraenoyglycerophosphoethanolamine (22:4, Delta 7, 10, 13, 16)",C27H48NO7P,0,0,0,,NaN,NaN,,"",,pe224_hs,,NaN,"",,"",,,,,NaN,,,NJHKGJJIKOCCMZ-OQYUTBBQSA-N,"InChI=1S/C27H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h6-7,9-10,12-13,15-16,26,29H,2-5,8,11,14,17-25,28H2,1H3,(H,31,32)/b7-6+,10-9+,13-12+,16-15+/t26-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
pe226_hs,"1-Docosahexenoylglyceroethanolamine (Delta 4, 7, 10, 13, 16, 19), Lpe (22:6)",C27H46NO7P,0,0,0,,NaN,NaN,,"",,pe226_hs,,NaN,"",,"",,,,,NaN,,,,"",
pe2linl_hs,"2-Linoleoylglycerophosphoethanolamine",C23H44NO7P,0,0,0,,NaN,NaN,,"",,pe2linl_hs,,NaN,"",,"",,,,,NaN,,,SVRBKLJIDJHADS-DRIBPHMRSA-N,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6?,10-9-/t22-/m0/s1",[H]OC([H])([H])[C@@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
peai15,"Phosphatidylethanolamine (12-methyl-tetradecanoyl, anteiso-C15)",C35H70NO8P,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15699,,,NaN,,,,"",
peai17,"Phosphatidylethanolamine (14-methyl-hexadecanoyl, anteiso-C17)",C39H78NO8P,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15696,,,NaN,,,,"",
peamn,"Phenylethylamine",C8H12N,1,121.1796,121.0891494,C05332,1001,18397,HMDB0012275,"",peamn,peamn,FDB010580,13856352,"PHENYLETHYLAMINE",peamn,"Phenethylamine",DB04325,cpd03161,MNXM660,C00001426,NaN,64-04-0,DTXSID5058773,BHHGXPLMPWCGHP-UHFFFAOYSA-O,"InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1",[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
pear_hs,"1-Arachidonoyl-Sn-Glycero-3-Phosphoethanolamine",C25H44NO7P,0,0,0,,NaN,NaN,,"",,pear_hs,,NaN,"",,"",,,,,NaN,,,ROPRRXYVXLDXQO-CDIMZWLNSA-N,"InChI=1S/C25H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h6-7,9-10,12-13,15-16,24,27H,2-5,8,11,14,17-23,26H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-,16-15?",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
pecgon,"Pseudoecgonine",C9H14NO3,-1,0,0,,443845,NaN,,"",pecgon,,,NaN,"",pecgon,"",,cpd09200,MNXM91287,,NaN,,,PHMBVCPLDPDESM-GHNGIAPOSA-M,"InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/p-1/t5?,6?,7-,8-/m0/s1",[H]O[C@@]1([H])C([H])([H])C2([H])N(C([H])([H])[H])C([H])(C([H])([H])C2([H])[H])[C@]1([H])C([O-])=O
pecgoncoa,"Pseudoecgonyl Coenzyme A",C30H46N8O18P3S,-3,0,0,,443846,NaN,,"",pecgoncoa,,,NaN,"",pecgoncoa,"",,,MNXM92624,,NaN,,,LWFFRRDSDGEAQK-ZSCOKQQMSA-K,"InChI=1S/C30H49N8O18P3S/c1-30(2,24(42)27(43)33-7-6-19(40)32-8-9-60-29(44)20-16-5-4-15(37(16)3)10-17(20)39)12-53-59(50,51)56-58(48,49)52-11-18-23(55-57(45,46)47)22(41)28(54-18)38-14-36-21-25(31)34-13-35-26(21)38/h13-18,20,22-24,28,39,41-42H,4-12H2,1-3H3,(H,32,40)(H,33,43)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/p-3/t15?,16?,17-,18+,20-,22+,23+,24-,28+/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)[C@@]1([H])C2([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[C@]1([H])O[H])[N+]2([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
pect,"Pectin",C2535H3509O2535,-1,194.1394,194.0426527,C08348,441476,47954,HMDB0003402,"",pect,pect,FDB023162,390200,"PECTIN",pect,"Pectin",,,MNXM163549,,6916,9000-69-5,DTXSID2044183,AEMOLEFTQBMNLQ-DTEWXJGMSA-N,"",[H]OC(=O)[C@@]1([H])O[C@]([H])(-*)[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O-*
pecticgal,"Pectic galactan (potato), gal: arab-L: rmn: galur = 78: 9: 4: 9 (www.megazyme.com). Assumed to consist of 100 sugars per macromo... <Preview truncated at 128 characters>",C597H971O503,-11,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
pectindchac,"Pectin-Deoxycholic Acid Complex",C2559H3549O2539,-1,0,0,,NaN,NaN,,"",,pectindchac,,NaN,"",pectindchac,"",,,MNXM165064,,NaN,,,,"",
pectingchol,"Pectin-Glycocholate Complex",C2561H3553NO2541,0,0,0,,NaN,NaN,,"",pectingchol,pectingchol,,NaN,"",pectingchol,"",,,MNXM165065,,NaN,,,,"",
pectintchol,"Pectin-Taurocholic Acid Complex",C2561H3555NO2542S,0,0,0,,NaN,NaN,,"",pectintchol,pectintchol,,NaN,"",pectintchol,"",,,MNXM165066,,NaN,,,,"",
pedh203_hs,"1-Dihomo-Linolenoylglycerophosphoethanolamine (20:3, Delta 8, 11, 14)",C25H46NO7P,0,0,0,,NaN,NaN,,"",,pedh203_hs,,NaN,"",,"",,,,,NaN,,,RNWSKZCVPICGIX-NPLRDPCCSA-N,"InChI=1S/C25H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h6-7,9-10,12-13,24,27H,2-5,8,11,14-23,26H2,1H3,(H,29,30)/b7-6-,10-9?,13-12-",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP([O-])(=O)OC([H])([H])C([H])([H])[N+]([H])([H])[H]
pei14,"Phosphatidylethanolamine (12-methyl-tridecanoyl, iso-C14)",C33H66NO8P,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15697,,,NaN,,,,"",
pei15,"Phosphatidylethanolamine (13-methyl-tetradecanoyl, iso-C15)",C35H70NO8P,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15698,,,NaN,,,,"",
pei16,"Phosphatidylethanolamine (14-methyl-pentadecanoyl, iso-C16)",C37H74NO8P,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15700,,,NaN,,,,"",
pei17,"Phosphatidylethanolamine (15-methyl-hexadecanoyl, iso-C17)",C39H78NO8P,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15695,,,NaN,,,,"",
pelinl_hs,"1-Linoleoylglycerophosphoethanolamine (Delta 9,12)",C23H44NO7P,0,0,0,,NaN,NaN,,"",,pelinl_hs,,NaN,"",,"",,,,,NaN,,,DBHKHNGBVGWQJE-AVQMFFATSA-N,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6+,10-9+",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
pendecaeth,"Pentadecanoyl Thanolamide (C15:0)",C17H35NO2,0,0,0,,NaN,NaN,,"",,pendecaeth,,NaN,"",,"",,,,,NaN,,,UHPXXKLAACDXGS-UHFFFAOYSA-N,"InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18-15-16-19/h19H,2-16H2,1H3,(H,18,20)",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
pendp,"All-trans-Pentaprenyl diphosphate",C25H41O7P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",pendp,"",,cpd02591,MNXM2210,,NaN,,,,"",
pentcoa,"Pentanoyl Coenzyme A",C26H40N7O17P3S,-4,0,0,,439337,NaN,,"",pentcoa,pentcoa,,NaN,"",,"",,,,,NaN,,,RXUATCUKICAIOA-ZMHDXICWSA-J,"InChI=1S/C26H44N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,4-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/p-4/t15-,19-,20-,21+,25-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
peole_hs,"1-Oleoylglycerophosphoethanolamine (Delta 9)",C23H46NO7P,0,0,0,,NaN,NaN,,"",,peole_hs,,NaN,"",,"",,,,,NaN,,,PYVRVRFVLRNJLY-MDZDMXLPSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9+",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
pep,"Phosphoenolpyruvic acid",C3H2O6P,-3,168.042,167.9823744,C00074,1005,44897,HMDB0000263,"phosphoenolpyruvate",pep,pep,FDB001451,980,"PHOSPHO-ENOL-PYRUVATE",pep,"PEP",DB01819,cpd00061,MNXM73,C00000798,5264,138-08-9,DTXSID00223277,DTBNBXWJWCWCIK-UHFFFAOYSA-K,"InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)/p-3",[H]C([H])=C(OP([O-])([O-])=O)C([O-])=O
pepalm_hs,"1-Palmitoylglycerophosphoethanolamine",C21H44NO7P,0,0,0,,NaN,NaN,,"",,pepalm_hs,,NaN,"",,"",,,,,NaN,,,YVYMBNSKXOXSKW-UHFFFAOYSA-N,"InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)",[H]OC([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
peplys,"Peptidyl-L-Lysine",XH,0,0,0,C02188,NaN,NaN,,"",peplys,peplys,,NaN,"",peplys,"",,,MNXM12612,,NaN,,,,"",[H]N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
pepslys,"Peptide Sans Lysine",X,0,0,0,,NaN,NaN,,"",pepslys,,,NaN,"",pepslys,"",,,MNXM20351,,NaN,,,,"",
peptmet_L,"Peptide-L-methionine",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd12237,,,NaN,,,,"",
peptmetox_L,"Peptide-L-methionine (R)-S-oxide",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd14507,,,NaN,,,,"",
peracd,"Perillic acid",C10H13O2,-1,166.22,166.0993797,C11924,1256,36999,HMDB0004586,"",,,FDB013215,1218,"",peracd,"",,,MNXM165069,C00010870,NaN,7694-45-3,,CDSMSBUVCWHORP-UHFFFAOYSA-M,"InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)/p-1",[H]C([H])=C(C([H])([H])[H])C1([H])C([H])([H])C([H])=C(C([O-])=O)C([H])([H])C1([H])[H]
perillyl,"Perillyl alcohol",C10H16O,0,152.237,152.1201151,C02452,10819,15420,HMDB0003634,"",perillyl,perillyl,FDB014923,10362,"CPD-261",perillyl,"",,,MNXM1695,,6969,536-59-4,DTXSID4052180,NDTYTMIUWGWIMO-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3",[H]OC([H])([H])C1=C([H])C([H])([H])C([H])(C(=C([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H]
peste_hs,"1-Stearoylglycerophosphoethanolamine",C23H48NO7P,0,0,0,,NaN,NaN,,"",,peste_hs,,NaN,"",,"",,,,,NaN,,,BBYWOYAFBUOUFP-QFIPXVFZSA-N,"InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/m0/s1",[H]O[C@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])N([H])[H]
pg120,"Phosphatidylglycerol (didodecanoyl, n-C12:0)",C30H58O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",pg120,"",,cpd15535,MNXM1771,,NaN,,,,"",
pg140,"Phosphatidylglycerol (ditetradecanoyl, n-C14:0)",C34H66O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",pg140,"",,cpd15536,MNXM51019,,NaN,,,,"",
pg141,"Phosphatidylglycerol (ditetradec-7-enoyl, n-C14:1)",C34H62O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",pg141,"",,cpd15537,MNXM2029,,NaN,,,,"",
pg160,"Phosphatidylglycerol (dihexadecanoyl, n-C16:0)",C38H74O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",pg160,"",,cpd15538,MNXM32179,,NaN,,,,"",
pg161,"Phosphatidylglycerol (dihexadec-9-enoyl, n-C16:1)",C38H70O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",pg161,"",,cpd15539,MNXM75101,,NaN,,,,"",
pg180,"Phosphatidylglycerol (dioctadecanoyl, n-C18:0)",C42H82O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",pg180,"",,cpd15540,MNXM75102,,NaN,,,,"",
pg181,"Phosphatidylglycerol (dioctadec-11-enoyl, n-C18:1)",C42H78O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",pg181,"",,cpd15541,MNXM1773,,NaN,,,,"",
pgai15,"Phosphatidylglycerol (12-methyl-tetradecanoyl, anteiso-C15)",C36H70O10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15726,,,NaN,,,,"",
pgai17,"Phosphatidylglycerol (14-methyl-hexadecanoyl, anteiso-C17)",C40H78O10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15723,,,NaN,,,,"",
pgi14,"Phosphatidylglycerol (12-methyltridecanoyl, iso-C14)",C34H66O10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15724,,,NaN,,,,"",
pgi15,"Phosphatidylglycerol (13-methyltetradecanoyl, iso-C15)",C36H70O10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15725,,,NaN,,,,"",
pgi16,"Phosphatidylglycerol (14-methylpentadecanoyl, iso-C16)",C38H74O10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15727,,,NaN,,,,"",
pgi17,"Phosphatidylglycerol (15-methyl-hexadecanoyl, iso-C17)",C40H78O10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15722,,,NaN,,,,"",
pglyc_hs,"Phosphatidylglycerol",C6H12O6PFULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",pglyc_hs,pglyc_hs,,NaN,"",pglyc_hs,"",,,MNXM9017,,NaN,,,,"",[H]OC([H])([H])C([H])(O[H])C([H])([H])OP([O-])(=O)OC([H])([H])C([H])(OC([*])=O)C([H])([H])OC([*])=O
PGP,"Peptidoglycan polymer (n subunits)",C39H64N8O19X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15665,,,NaN,,,,"",
pgp_hs,"Phosphatidyl Glycerol Phosphate",C6H11O9P2FULLRCO2FULLR2CO2,0,0,0,,NaN,NaN,,"",pgp_hs,pgp_hs,,NaN,"",pgp_hs,"",,,MNXM12647,,NaN,,,,"",[H]OC([H])(C([H])([H])OP([O-])([O-])=O)C([H])([H])OP([O-])(=O)OC([H])([H])C([H])(OC(*)=O)C([H])([H])OC(*)=O
pgp120,"Phosphatidylglycerophosphate (didodecanoyl, n-C12:0)",C30H57O13P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",pgp120,"",,cpd15542,MNXM5266,,NaN,,,,"",
pgp140,"Phosphatidylglycerophosphate (ditetradecanoyl, n-C14:0)",C34H65O13P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",pgp140,"",,cpd15543,MNXM5272,,NaN,,,,"",
pgp141,"Phosphatidylglycerophosphate (ditetradec-7-enoyl, n-C14:1)",C34H61O13P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",pgp141,"",,cpd15544,MNXM5271,,NaN,,,,"",
pgp160,"Phosphatidylglycerophosphate (dihexadecanoyl, n-C16:0)",C38H73O13P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",pgp160,"",,cpd15545,MNXM32180,,NaN,,,,"",
pgp161,"Phosphatidylglycerophosphate (dihexadec-9-enoyl, n-C16:1)",C38H69O13P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",pgp161,"",,cpd15546,MNXM75103,,NaN,,,,"",
pgp180,"Phosphatidylglycerophosphate (dioctadecanoyl, n-C18:0)",C42H81O13P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",pgp180,"",,cpd15547,MNXM75104,,NaN,,,,"",
pgp181,"Phosphatidylglycerophosphate (dioctadec-11-enoyl, n-C18:1)",C42H77O13P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",pgp181,"",,cpd15548,MNXM5269,,NaN,,,,"",
pgpai15,"Phosphatidylglycerophosphate (12-methyl-tetradecanoyl, anteiso-C15)",C36H69O13P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15720,,,NaN,,,,"",
pgpai17,"Phosphatidylglycerophosphate (14-methyl-hexadecanoyl, anteiso-C17)",C40H77O13P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15717,,,NaN,,,,"",
pgpi14,"Phosphatidylglycerophosphate (12-methyltridecanoyl, iso-C14)",C34H65O13P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15718,,,NaN,,,,"",
pgpi15,"Phosphatidylglycerophosphate (13-methyltetradecanoyl, iso-C15)",C36H69O13P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15719,,,NaN,,,,"",
pgpi16,"Phosphatidylglycerophosphate (14-methylpentadecanoyl, iso-C16)",C38H73O13P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15721,,,NaN,,,,"",
pgpi17,"Phosphatidylglycerophosphate (15-methyl-hexadecanoyl, iso-C17)",C40H77O13P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15716,,,NaN,,,,"",
PGPm1,"Peptidoglycan polymer (n-1 subunits)",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15666,,,NaN,,,,"",
ph2s,"Polysulfide",H2S2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
phaccoa,"Phenylacetyl-CoA",C29H38N7O17P3S,-4,885.667,885.1570732,C00582,165620,15537,HMDB0006503,"",phaccoa,phaccoa,FDB023945,145148,"34-DIHYDROXYPHENYLACETYL-COA",phaccoa,"",,cpd00452,MNXM502,C00007536,NaN,7532-39-0,,ZIGIFDRJFZYEEQ-CECATXLMSA-J,"InChI=1S/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34-26(21)36/h3-7,15-16,18,22-24,28,39-40H,8-14H2,1-2H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t18-,22-,23-,24+,28-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
phacgly,"Phenylacetylglycine",C10H10NO3,-1,193.2019958,193.0738932,,NaN,NaN,,"",,phacgly,,NaN,"",,"",,,,,NaN,500-98-1,DTXSID40198177,UTYVDVLMYQPLQB-UHFFFAOYSA-M,"InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)/p-1",[H]N(C(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([O-])=O
phacp,"Phehylacetyl phosphate",C8H7O5P,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
phcrm_hs,"Phytoceramide",C18H38NO3FULLRCO,0,0,0,,NaN,NaN,,"",,phcrm_hs,,NaN,"",,"",,,,,NaN,,,,"",[H]OC([H])([H])C([H])(N([H])C([*])=O)[C@]([H])(O[H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
phe_L,"L-Phenylalanine",C9H11NO2,0,165.1891,165.0789786,C00079,6140,17295,HMDB0000159,"L-phenylalanine",phe_L,phe_L,FDB014705,5910,"PHE",phe__L,"L-Phenylalanine",DB00120,cpd01400,MNXM97,C00001386,28,63-91-2,DTXSID4040763,COLNVLDHVKWLRT-QMMMGPOBSA-N,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1",[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
pheacgln,"Alpha-N-Phenylacetyl-L-glutamine",C13H16N2O4,0,264.2771,264.111007,C04148,92258,17884,HMDB0006344,"",pheacgln,pheacgln,FDB023896,83292,"CPD-1097",pheacgln,"Phenylacetylglutamine",,,MNXM163884,,NaN,28047-15-6,DTXSID90182324,JFLIEFSWGNOPJJ-JTQLQIEISA-N,"InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])[H]
pheacgly,"Phenylacetylglycine",C10H10NO3,-1,0,0,,NaN,NaN,,"",,pheacgly,,NaN,"",pheacgly,"",,,MNXM4775,,NaN,,,UTYVDVLMYQPLQB-UHFFFAOYSA-M,"InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)/p-1",[H]N(C(=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([O-])=O
pheasnmet,"Phenylalanyl-Asparaginyl-Methionine",C18H26N4O5S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LNIIRLODKOWQIY-MELADBBJSA-N,"InChI=1S/C18H26N4O5S/c1-28-8-7-13(18(26)27)21-17(25)14(10-15(20)23)22-16(24)12(19)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H2,20,23)(H,21,25)(H,22,24)(H,26,27)/t12-,13-,14+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H]
pheasp,"Phenylalanyl-Aspartate",C13H15N2O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HWMGTNOVUDIKRE-VHSXEESVSA-M,"InChI=1S/C13H16N2O5/c14-9(6-8-4-2-1-3-5-8)12(18)15-10(13(19)20)7-11(16)17/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,10+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([O-])=O
pheglnphe,"Phenylalanyl-Glutaminyl-Phenylalanine",C23H28N4O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GDBOREPXIRKSEQ-OTWHNJEPSA-N,"InChI=1S/C23H28N4O5/c24-17(13-15-7-3-1-4-8-15)21(29)26-18(11-12-20(25)28)22(30)27-19(23(31)32)14-16-9-5-2-6-10-16/h1-10,17-19H,11-14,24H2,(H2,25,28)(H,26,29)(H,27,30)(H,31,32)/t17-,18+,19-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
pheleu,"Phenylalanyl-Leucine",C15H22N2O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,RFCVXVPWSPOMFJ-QWHCGFSZSA-N,"InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
pheleuasp,"Phenylalanyl-Leucyl-Aspartate",C19H26N3O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YKUGPVXSDOOANW-ZNMIVQPWSA-M,"InChI=1S/C19H27N3O6/c1-11(2)8-14(18(26)22-15(19(27)28)10-16(23)24)21-17(25)13(20)9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10,20H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/p-1/t13-,14+,15-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([O-])=O
pheleuhis,"Phenylalanyl-Leucyl-Histidine",C21H29N5O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,METZZBCMDXHFMK-BZSNNMDCSA-N,"InChI=1S/C21H29N5O4/c1-13(2)8-17(25-19(27)16(22)9-14-6-4-3-5-7-14)20(28)26-18(21(29)30)10-15-11-23-12-24-15/h3-7,11-13,16-18H,8-10,22H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)(H,29,30)/t16-,17-,18-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H]
phelysala,"Phenylalanyl-Lysyl-Alanine",C18H29N4O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DNAXXTQSTKOHFO-AEGPPILISA-O,"InChI=1S/C18H28N4O4/c1-12(18(25)26)21-17(24)15(9-5-6-10-19)22-16(23)14(20)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11,19-20H2,1H3,(H,21,24)(H,22,23)(H,25,26)/p+1/t12-,14-,15+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])[H]
phelyspro,"Phenylalanyl-Lysyl-Proline",C20H31N4O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BNRFQGLWLQESBG-GVDBMIGSSA-O,"InChI=1S/C20H30N4O4/c21-11-5-4-9-16(19(26)24-12-6-10-17(24)20(27)28)23-18(25)15(22)13-14-7-2-1-3-8-14/h1-3,7-8,15-17H,4-6,9-13,21-22H2,(H,23,25)(H,27,28)/p+1/t15-,16+,17+/m0/s1",[H]OC(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]
pheme,"Heme",C34H30FeN4O4,-2,616.487,616.1772977,C00032,NaN,17627,HMDB0003178,"",pheme,pheme,FDB016272,24604415,"HEME_A",pheme,"Heme",,cpd00028,MNXM249,,3680,14875-96-8,DTXSID90889386,KABFMIBPWCXCRK-RGGAHWMASA-J,"InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",[H]C([H])=C([H])C1=C(C2=C([H])C3=[N+]4C(=C([H])C5=C(C(=C6C([H])=C7C(C([H])=C([H])[H])=C(C8=[N+]7[Fe--]4(N2C1=C8[H])N56)C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C(=C3C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H]
phenol,"Phenol",C6H6O,0,0,0,,NaN,NaN,HMDB0000228,"",,,,NaN,"",phenol,"",,cpd00127,MNXM320,,NaN,,,,"",
phephe,"Phenylalanyl-Phenylalanine",C18H20N2O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GKZIWHRNKRBEOH-JKSUJKDBSA-N,"InChI=1S/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)/t15-,16+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
phepheasn,"Phenylalanyl-Phenylalaninyl-Asparagine",C22H26N4O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OWSLLRKCHLTUND-KSZLIROESA-N,"InChI=1S/C22H26N4O5/c23-16(11-14-7-3-1-4-8-14)20(28)25-17(12-15-9-5-2-6-10-15)21(29)26-18(22(30)31)13-19(24)27/h1-10,16-18H,11-13,23H2,(H2,24,27)(H,25,28)(H,26,29)(H,30,31)/t16-,17+,18-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C(=O)N([H])[H]
phephethr,"Phenylalanyl-Phenylalaninyl-Threonine",C22H27N3O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MGLBSROLWAWCKN-FZDIXFNVSA-N,"InChI=1S/C22H27N3O5/c1-14(26)19(22(29)30)25-21(28)18(13-16-10-6-3-7-11-16)24-20(27)17(23)12-15-8-4-2-5-9-15/h2-11,14,17-19,26H,12-13,23H2,1H3,(H,24,27)(H,25,28)(H,29,30)/t14-,17-,18+,19-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@]([H])(O[H])C([H])([H])[H]
pheproarg,"Phenylalanyl-Prolyl-Arginine",C20H31N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NTUPOKHATNSWCY-JYJNAYRXSA-O,"InChI=1S/C20H30N6O4/c21-14(12-13-6-2-1-3-7-13)18(28)26-11-5-9-16(26)17(27)25-15(19(29)30)8-4-10-24-20(22)23/h1-3,6-7,14-16H,4-5,8-12,21H2,(H,25,27)(H,29,30)(H4,22,23,24)/p+1/t14-,15-,16-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)[C@]([H])(N([H])[H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
phesertrp,"Phenylalanyl-Seryl-Tryptophan",C23H26N4O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MRWOVVNKSXXLRP-YSIASYRMSA-N,"InChI=1S/C23H26N4O5/c24-17(10-14-6-2-1-3-7-14)21(29)27-20(13-28)22(30)26-19(23(31)32)11-15-12-25-18-9-5-4-8-16(15)18/h1-9,12,17,19-20,25,28H,10-11,13,24H2,(H,26,30)(H,27,29)(H,31,32)/t17-,19-,20+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])O[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]
phethrlys,"Phenylalanyl-Threonyl-Lysine",C19H31N4O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PTDAGKJHZBGDKD-QCEMKRCNSA-O,"InChI=1S/C19H30N4O5/c1-12(24)16(18(26)22-15(19(27)28)9-5-6-10-20)23-17(25)14(21)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-16,24H,5-6,9-11,20-21H2,1H3,(H,22,26)(H,23,25)(H,27,28)/p+1/t12-,14-,15-,16+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
phetrpleu,"Phenylalanyl-Tryptophanyl-Leucine",C26H32N4O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,AOKZOUGUMLBPSS-WWNPGLIZSA-N,"InChI=1S/C26H32N4O4/c1-16(2)12-23(26(33)34)30-25(32)22(14-18-15-28-21-11-7-6-10-19(18)21)29-24(31)20(27)13-17-8-4-3-5-9-17/h3-11,15-16,20,22-23,28H,12-14,27H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)/t20-,22+,23-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
phetyr,"Phenylalanyl-Tyrosine",C18H20N2O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,FSXRLASFHBWESK-JKSUJKDBSA-N,"InChI=1S/C18H20N2O4/c19-15(10-12-4-2-1-3-5-12)17(22)20-16(18(23)24)11-13-6-8-14(21)9-7-13/h1-9,15-16,21H,10-11,19H2,(H,20,22)(H,23,24)/t15-,16+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
phetyrgln,"Phenylalanyl-Tyrosinyl-Glutamine",C23H28N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,QUUCAHIYARMNBL-GBESFXJTSA-N,"InChI=1S/C23H28N4O6/c24-17(12-14-4-2-1-3-5-14)21(30)27-19(13-15-6-8-16(28)9-7-15)22(31)26-18(23(32)33)10-11-20(25)29/h1-9,17-19,28H,10-13,24H2,(H2,25,29)(H,26,31)(H,27,30)(H,32,33)/t17-,18-,19+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])[H]
phetyrlys,"Phenylalanyl-Tyrosinyl-Lysine",C24H33N4O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DBNGDEAQXGFGRA-PCCBWWKXSA-O,"InChI=1S/C24H32N4O5/c25-13-5-4-8-20(24(32)33)27-23(31)21(15-17-9-11-18(29)12-10-17)28-22(30)19(26)14-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-21,29H,4-5,8,13-15,25-26H2,(H,27,31)(H,28,30)(H,32,33)/p+1/t19-,20-,21+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
phhlipa,"Phospho-heptosyl-heptosyl-kdo2-lipidA",C124H219N2O54P3,-8,0,0,,NaN,NaN,,"",,,,NaN,"",phhlipa,"",,cpd15549,MNXM75132,,NaN,,,,"",
phlac,"Phenyllactate",C9H9O3,-1,0,0,,NaN,NaN,,"",,phlac,,NaN,"",,"",,,,,NaN,,,VOXXWSYKYCBWHO-UHFFFAOYSA-M,"InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/p-1",[H]OC([H])(C([O-])=O)C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
phom,"O-Phosphohomoserine",C4H8NO6P,-2,199.0991,199.0245736,C01102,151187,15961,HMDB0003484,"",phom,phom,FDB023182,133252,"O-PHOSPHO-L-HOMOSERINE",phom,"",,cpd00809,MNXM1334,,NaN,4210-66-6,,FXDNYOANAXWZHG-VKHMYHEASA-L,"InChI=1S/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/p-2/t3-/m0/s1",[H][N+]([H])([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])OP([O-])([O-])=O
phphhlipa,"Phospho-heptosyl-phospho-heptosyl-heptosyl-kdo2-lipidA",C131H230N2O63P4,-10,0,0,,NaN,NaN,,"",,,,NaN,"",phphhlipa,"",,cpd15550,MNXM75133,,NaN,,,,"",
phppa,"Desaminotyrosine",C9H9O3,-1,166.1739,166.0629942,C01744,10394,32980,HMDB0002199,"",,,FDB000849,9965,"2-3-DIHYDROXYPHENYL-PROPIONATE",,"Phloretic_acid",DBMET00869,,,C00029471,4148,501-97-3,DTXSID2075427,NMHMNPHRMNGLLB-UHFFFAOYSA-N,"",
phpyr,"Phenylpyruvic acid",C9H7O3,-1,164.158,164.0473441,C00166,997,30851,HMDB0000205,"",phpyr,phpyr,FDB020197,972,"PHENYL-PYRUVATE",phpyr,"Phenylpyruvate",,cpd00143,MNXM210,C00000751,328,156-06-9,DTXSID1042281,BTNMPGBKDVTSJY-UHFFFAOYSA-M,"InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/p-1",[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C(=O)C([O-])=O
phsph1p,"Phytosphingosine-1-Phosphate",C18H39NO6P,-1,0,0,,NaN,NaN,,"",,phsph1p,,NaN,"",,"",,,,,NaN,,,AYGOSKULTISFCW-KSZLIROESA-M,"InChI=1S/C18H40NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)18(21)16(19)15-25-26(22,23)24/h16-18,20-21H,2-15,19H2,1H3,(H2,22,23,24)/p-1/t16-,17+,18-/m0/s1",[H]O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])([N+]([H])([H])[H])C([H])([H])OP([O-])([O-])=O
phsphings,"Phytosphingosine",C18H40NO3,1,317.5140076,317.2929941,,NaN,NaN,,"",,phsphings,,NaN,"",,"",,,,,NaN,554-62-1,DTXSID80203951,AERBNCYCJBRYDG-ABHNRTSZSA-O,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/p+1/t16?,17?,18-/m0/s1",[H]OC([H])([H])C([H])([N+]([H])([H])[H])[C@]([H])(O[H])C([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
phthr,"O-Phospho-4-hydroxy-L-threonine",C4H8NO7P,-2,0,0,,NaN,NaN,HMDB0006802,"",,,,NaN,"",phthr,"",,cpd03607,MNXM759,,NaN,,,,"",
phyldpp,"Phytyl diphosphate",C20H39O7P2,-3,0,0,,NaN,NaN,HMDB0011116,"",,,,NaN,"",,"",,cpd03214,,,NaN,,,,"",
phyQ,"Vitamin K1",C31H46O2,0,450.6957,450.3497807,C02059,5280483,583972,HMDB0003555,"",phyQ,,FDB012357,4444124,"3-HYDROXY-2-METHYL-3-PHYTYL-23-DIHYDRONA",phyQ,"Vitamin K",,cpd01401,MNXM1155,C00002868,6952,12001-79-5,DTXSID8023472,MBWXNTAXLNYFJB-NKFFZRIASA-N,"InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1",[H]C(=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C(C(=O)C2=C([H])C([H])=C([H])C([H])=C2C1=O)C([H])([H])[H]
phyt,"Phytanic acid",C20H39O2,-1,0,0,C01607,26840,16285,HMDB0000801,"",phyt,phyt,FDB022252,25001,"",phyt,"Phytanic acid",,,MNXM91275,,5765,14721-66-5,,RLCKHJSFHOZMDR-UHFFFAOYSA-M,"InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/p-1",[H]C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([O-])=O
phyt2ohcoa,"2-Hydroxyphytanoyl Coenzyme A",C41H70N7O18P3S,-4,0,0,,11966142,NaN,,"",phyt2ohcoa,phyt2ohcoa,,NaN,"",phyt2ohcoa,"",,,MNXM91909,,NaN,,,WNVFJMYPVBOLKV-YLNUKALLSA-J,"InChI=1S/C41H74N7O18P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51)39(64-29)48-24-47-31-36(42)45-23-46-37(31)48/h23-29,32-35,39,50-52H,8-22H2,1-7H3,(H,43,49)(H,44,53)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/t26?,27?,28?,29-,32?,33-,34-,35+,39-/m1/s1",[H]OC([H])(C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@]([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
phytcoa,"Phytanoyl Coenzyme A",C41H70N7O17P3S,-4,0,0,C02060,439640,15538,,"",phytcoa,phytcoa,,NaN,"",phytcoa,"",,,MNXM91276,,45339,,,NRJQGHHZMSOUEN-ZJGVPSKGSA-J,"InChI=1S/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40(63-30)48-25-47-33-37(42)45-24-46-38(33)48/h24-30,34-36,40,51-52H,8-23H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/t27?,28?,29?,30-,34-,35-,36+,40-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
phytn,"Phytoene",C40H64,0,0,0,,NaN,NaN,HMDB0002181,"",,,,NaN,"",,"",,cpd03205,,,NaN,,,,"",
pi,"Phosphate",HO4P,-2,94.9714,94.95342,C00009,1061,18367,HMDB0001429,"phosphate(3-)",pi,pi,FDB022617,1032,"CPD-8587",pi,"Phosphate",DBMET00532,cpd00009,MNXM9,,3231,14265-44-2,DTXSID7039672,NBIIXXVUZAFLBC-UHFFFAOYSA-L,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2",[H]OP([O-])([O-])=O
pime,"Pimelic acid",C7H10O4,-2,160.1678,160.0735589,C02656,385,30531,HMDB0000857,"",,,FDB022283,376,"",pime,"Pimelic acid",DB01856,cpd01727,MNXM2555,C00001199,3280,111-16-0,DTXSID5021598,WLJVNTCWHIRURA-UHFFFAOYSA-N,"",
plac,"D-Phenyllactic acid",C9H9O3,-1,166.1739,166.0629942,C05607,NaN,8100,HMDB0000563,"",,,,NaN,"",,"",,,,C00000150,5547,7326-19-4,,VOXXWSYKYCBWHO-QMMMGPOBSA-N,"",
placcoa,"Phenyllactyl-CoA",C30H40N7O18P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
plasmetha,"Plasmenylethanolamine",C8H13NO7PR2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd12606,,,NaN,,,,"",
pmACP,"Pimeloyl-ACP",C18H30N2O10PRS,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
pmACPm,"Pimeloyl-ACP methyl ester",C19H33N2O10PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
pmcoa,"Pimeloyl-CoA",C28H41N7O19P3S,-5,0,0,,NaN,NaN,,"",,,,NaN,"",pmcoa,"",,cpd00782,MNXM951,,NaN,,,,"",
pmeth,"Palmitoylethanolamide",C18H37NO2,0,299.4919,299.2824294,C16512,4671,147261,HMDB0002100,"",,pmeth,FDB001087,4509,"",,"",,,,,NaN,544-31-0,DTXSID4042254,HXYVTAGFYLMHSO-UHFFFAOYSA-N,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
pmtcoa,"Palmityl-CoA",C37H62N7O17P3S,-4,0,0,C00154,15667,15525,HMDB0001338,"palmitoyl-CoA",pmtcoa,pmtcoa,FDB022562,14902,"PALMITYL-COA",pmtcoa,"palmitoyl CoA",,cpd00134,MNXM88,,6172,,,MNBKLUUYKPBKDU-BBECNAHFSA-J,"InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
pmtcrn,"L-Palmitoylcarnitine",C23H45NO4,0,399.6077,399.3348589,C02990,11953816,17490,HMDB0000222,"L-palmitoylcarnitine",pmtcrn,pmtcrn,FDB021910,10128117,"CPD-419",pmtcrn,"",,,MNXM162587,,5231,2364-67-2,,XOMRRQXKHMYMOC-OAQYLSRUSA-N,"InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
pnp,"4-Hydroxynitrobenzene, p-Nitrophenol",C6H4NO3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
pnto_R,"Pantothenic acid",C9H16NO5,-1,219.235,219.1106727,C00864,988,7916,HMDB0000210,"",pnto_R,pnto_R,FDB011817,963,"PANTOTHENATE",pnto__R,"Pantothenic acid",DB01783,cpd00644,MNXM364,C00001550,241,79-83-4,DTXSID9023417,GHOKWGTUZJEAQD-UHFFFAOYSA-M,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/p-1",[H]OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C([O-])=O
ppa,"Propionic acid",C3H5O2,-1,74.0785,74.03677944,C00163,1032,30768,HMDB0000237,"",ppa,ppa,FDB008285,1005,"PROPIONATE",ppa,"Propionic acid",DB03766,cpd00141,MNXM162260,C00044287,3215,79-09-4,DTXSID90222279,XBDQKXXYIPTUBI-UHFFFAOYSA-M,"InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1",[H]C([H])([H])C([H])([H])C([O-])=O
ppaca,"Phosphonoacetaldehyde",C2H3O4P,-2,0,0,C03167,6050,18124,,"",,,,NaN,"",,"",,cpd02024,,,63575,,,,"InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)",
ppal,"Propanal",C3H6O,0,0,0,,NaN,NaN,HMDB0003366,"",,,,NaN,"",ppal,"",,cpd00371,MNXM821,,NaN,,,,"",
ppap,"Propanoyl phosphate",C3H5O5P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",ppap,"",,cpd01844,MNXM1499,,NaN,,,,"",
ppbng,"Porphobilinogen",C10H13N2O4,-1,226.2292,226.0953569,C00931,1021,17381,HMDB0000245,"",ppbng,ppbng,FDB021916,995,"PORPHOBILINOGEN",ppbng,"Porphobilinogen",DB02272,cpd00689,MNXM554,C00007339,76,487-90-1,DTXSID4060070,QSHWIQZFGQKFMA-UHFFFAOYSA-M,"InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)/p-1",[H]N1C([H])=C(C(=C1C([H])([H])[N+]([H])([H])[H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O
ppcoa,"Propionyl-CoA",C24H36N7O17P3S,-4,823.597,823.1414231,C00100,439164,15539,HMDB0001275,"propionyl-CoA",ppcoa,ppcoa,FDB022529,388310,"PROPIONYL-COA",ppcoa,"Propionyl-CoA",,cpd00086,MNXM86,,6130,317-66-8,DTXSID10185594,QAQREVBBADEHPA-SSERFMASSA-J,"InChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/p-4/t13-,17-,18-,19+,23-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
ppgpp,"Guanosine 3,5-bis(diphosphate)",C10H11N5O17P4,-6,0,0,,NaN,NaN,,"",,,,NaN,"",ppgpp,"",,cpd00905,MNXM1189,,NaN,,,,"",
pphn,"Prephenate",C10H8O6,-2,0,0,,NaN,NaN,HMDB0012283,"",,,,NaN,"",pphn,"",,cpd00219,MNXM503,,NaN,,,,"",
pphtd,"Prephytoene diphosphate",C40H65O7P2,-3,0,0,,NaN,NaN,HMDB0003023,"",,,,NaN,"",,"",,cpd02168,,,NaN,,,,"",
ppi,"Pyrophosphate",HO7P2,-3,173.9433,173.9119254,C00013,644102,18361,HMDB0000250,"",ppi,ppi,FDB021918,559142,"PPI",ppi,"Pyrophosphate",DB04160,cpd00012,MNXM11,,3306,14000-31-8,DTXSID4074514,XPPKVPWEQAFLFU-UHFFFAOYSA-K,"InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3",[H]OP([O-])(=O)OP([O-])([O-])=O
ppiogly,"Propionyl-Glycine",C5H8NO3,-1,0,0,,NaN,NaN,,"",,ppiogly,,NaN,"",,"",,,,,NaN,,,WOMAZEJKVZLLFE-UHFFFAOYSA-M,"InChI=1S/C5H9NO3/c1-2-4(7)6-3-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)/p-1",[H]N(C(=O)C([H])([H])C([H])([H])[H])C([H])([H])C([O-])=O
ppmi12346p,"5-Diphosphoinositol pentakisphosphate",C6H6O27P7,-13,740.0152,739.827701,C11526,NaN,30164,HMDB0006229,"",ppmi12346p,ppmi12346p,FDB023849,17216357,"",ppmi12346p,"",,,MNXM1715,,NaN,,,UPHPWXPNZIOZJL-KXXVROSKSA-A,"InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/p-13/t1-,2+,3-,4-,5+,6+",[H][C@@]1(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(OP([O-])(=O)OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@]1([H])OP([O-])([O-])=O
ppmi1346p,"Diphosphoinositol Tetrakisphosphate",C6H7O24P6,-11,0,0,C18058,890,NaN,,"",ppmi1346p,,,NaN,"",ppmi1346p,"",,,MNXM491,,NaN,,,IMQLKJBTEOYOSI-GPIVLXJGSA-C,"InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/p-11/t1-,2-,3-,4+,5-,6-",[H]OP([O-])(=O)O[C@@]1([H])[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@@]1([H])OP([O-])([O-])=O
ppp9,"Protoporphyrin IX",C34H32N4O4,-2,562.6582,562.2580056,C02191,4971,15430,HMDB0000241,"",ppp9,ppp9,FDB004277,10469486,"PROTOPORPHYRIN_IX",ppp9,"Protoporphyrin IX",,cpd01476,MNXM346,C00007370,4158,553-12-8,DTXSID4048353,KSFOVUSSGSKXFI-UJJXFSCMSA-L,"InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-",[H]C([H])=C([H])C1=C(C2=N\C\1=C([H])/C1=C(C(=C(N1[H])\C([H])=C1/N=C(/C(/[H])=C3\N([H])/C(=C\2/[H])C(C([H])=C([H])[H])=C3C([H])([H])[H])C(=C1C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H])C([H])([H])[H]
pppg9,"Protoporphyrinogen IX",C34H38N4O4,-2,568.7058,568.3049558,C01079,121893,15435,HMDB0001097,"",pppg9,pppg9,FDB022425,108741,"PROTOPORPHYRINOGEN",pppg9,"Protoporphyrinogen IX",,cpd00791,MNXM351,C00007371,6003,7412-77-3,DTXSID90225068,UHSGPDMIQQYNAX-UHFFFAOYSA-L,"InChI=1S/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40)(H,41,42)/p-2",[H]C([H])=C([H])C1=C2N([H])C(=C1C([H])([H])[H])C([H])([H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C([H])=C([H])[H])C(=C(N1[H])C2([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[H]
pppi,"Triphosphate",HO10P3,-4,252.9153,252.8704308,C00536,3440921,18036,HMDB0003379,"",pppi,pppi,FDB023159,2683694,"",pppi,"Triphosphoric_acid",,cpd00421,MNXM332,,6913,14127-68-5,,UNXRWKVEANCORM-UHFFFAOYSA-J,"InChI=1S/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)/p-4",[H]OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O
pppn,"Phenylpropanoate",C9H9O2,-1,0,0,,12497,NaN,HMDB0000764,"",,,,NaN,"",pppn,"",,cpd03343,MNXM1403,,NaN,,,,"",
pppncoa,"Phenylpropanoyl-CoA",C30H40N7O17P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
pprdn,"Piperideine",C5H9N,0,0,0,C06181,8432,47858,,"",,,,61469,"",pprdn,"",,,MNXM1438,,NaN,,,,"InChI=1S/C5H9N/c1-2-4-6-5-3-1/h4H,1-3,5H2",
pqq,"Pyrroloquinoline-quinone",C14H3N2O8,-3,0,0,,NaN,NaN,HMDB0013636,"",,,,NaN,"",pqq,"",,cpd00097,MNXM601,,NaN,,,,"",
pqqh2,"Reduced pyrroloquinoline-quinone",C14H5N2O8,-3,0,0,,NaN,NaN,,"",,,,NaN,"",pqqh2,"",,cpd00986,MNXM765,,NaN,,,,"",
pram,"5-Phosphoribosylamine",C5H11NO7P,-1,229.125,229.0351383,C03090,439905,37737,HMDB0001128,"",pram,pram,FDB022441,388939,"5-P-BETA-D-RIBOSYL-AMINE",pram,"5-phosphoribosylamine",,cpd01982,MNXM90003,,6023,,,SKCBPEVYGOQGJN-FCAWWPLPSA-M,"InChI=1S/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/p-1/t2-,3-,4-,5-/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])[N+]([H])([H])[H]
pran,"N-(5-Phospho-D-ribosyl)anthranilate",C12H13NO9P,-3,0,0,,NaN,NaN,,"",,,,NaN,"",pran,"",,cpd02642,MNXM1489,,NaN,,,,"",
prbamp,"1-(5-Phosphoribosyl)-AMP",C15H19N5O14P2,-4,0,0,,NaN,NaN,HMDB0012276,"",,,,NaN,"",prbamp,"",,cpd01777,MNXM1515,,NaN,,,,"",
prbatp,"1-(5-Phosphoribosyl)-ATP",C15H19N5O20P4,-6,0,0,,NaN,NaN,HMDB0003665,"",,,,NaN,"",prbatp,"",,cpd01775,MNXM1351,,NaN,,,,"",
pre_prot,"Glycophosphatidylinositol (Gpi)-Anchored Protein Precursor",XY,0,0,0,,NaN,NaN,,"",pre_prot,pre_prot,,NaN,"",pre_prot,"",,,MNXM7401,,NaN,,,,"",
pre1,"Precorrin 1",C41H38N4O16,-8,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd11206,,,NaN,,,,"",
pre3a,"Precorrin 3 A",C43H43N4O16,-7,0,0,C05772,NaN,NaN,,"",,,,NaN,"",pre3a,"",,cpd03420,MNXM1290,,NaN,,,,"",
pre3b,"Precorrin 3B",C43H44N4O17,-6,0,0,C06406,NaN,NaN,,"",,,,NaN,"",pre3b,"",,cpd03833,MNXM1291,,NaN,,,,"",
pre4,"Precorrin 4",C44H44N4O17,-8,0,0,C06407,NaN,NaN,,"",,,,NaN,"",pre4,"",,cpd03834,MNXM1441,,NaN,,,,"",
pre5,"Precorrin 5",C45H46N4O17,-8,0,0,C06416,NaN,NaN,,"",,,,NaN,"",pre5,"",,cpd03839,MNXM1588,,NaN,,,,"",
pre6a,"Precorrin 6A",C44H47N4O16,-7,0,0,C06320,NaN,NaN,,"",,,,NaN,"",pre6a,"",,cpd03761,MNXM1496,,NaN,,,,"",
pre6b,"Precorrin 6B",C44H49N4O16,-7,0,0,C06319,NaN,NaN,,"",,,,NaN,"",pre6b,"",,cpd03760,MNXM1497,,NaN,,,,"",
pre8,"Precorrin 8",C45H53N4O14,-7,0,0,C06408,NaN,NaN,,"",,,,NaN,"",pre8,"",,cpd03835,MNXM163558,,NaN,,,,"",
prfp,"1-(5-Phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide",C15H21N5O15P2,-4,0,0,,NaN,NaN,,"",,,,NaN,"",prfp,"",,cpd02979,MNXM1397,,NaN,,,,"",
prgnlone,"Pregnenolone",C21H32O2,0,316.4776,316.2402303,C01953,53477678,16581,HMDB0000253,"",prgnlone,prgnlone,FDB021920,8611,"PREGNENOLONE",prgnlone,"Pregnenolone",DB02789,cpd01342,MNXM385,C00047082,5257,145-13-1,DTXSID1036541,ORNBQBCIOKFOEO-QGVNFLHTSA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])(C(=O)C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
prgnlones,"Pregnenolone sulfate",C21H31O5S,-1,396.541,396.1970448,,20845972,NaN,HMDB0000774,"",prgnlones,prgnlones,FDB022235,17216005,"",prgnlones,"Pregnenolone sulfate",DBMET00511,,MNXM91704,,5740,1247-64-9,,DIJBBUIOWGGQOP-QGVNFLHTSA-M,"InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/p-1/t15-,16-,17+,18-,19-,20-,21+/m0/s1",[H]C1=C2C([H])([H])[C@@]([H])(OS([O-])(=O)=O)C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@@]([H])(C(=O)C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3([H])[C@]2([H])C1([H])[H]
prgstrn,"Progesterone",C21H30O2,0,314.4617,314.2245802,C00410,5994,17026,HMDB0001830,"",prgstrn,prgstrn,FDB001871,5773,"PROGESTERONE",prgstrn,"Progesterone",DB00396,cpd00325,MNXM162773,C00034649,402,57-83-0,DTXSID3022370,RJKFOVLPORLFTN-LEKSSAKUSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",[H]C1=C2C([H])([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])(C(=O)C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])C1=O
prist,"Pristanic acid",C19H37O2,-1,298.511,298.2871805,,123929,51340,HMDB0000795,"",prist,prist,FDB012993,110458,"",prist,"Pristanic acid",,,MNXM7698,,5760,1189-37-3,,PAHGJZDQXIOYTH-UHFFFAOYSA-M,"InChI=1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)/p-1",[H]C([H])([H])C([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
pristanal,"Pristanal",C19H38O,0,282.512,282.2922658,,14671060,NaN,,"",pristanal,pristanal,,NaN,"",pristanal,"",,,MNXM1947,,NaN,105373-75-9,DTXSID30883161,IZJRIIWUSIGEAJ-UHFFFAOYSA-N,"InChI=1S/C19H38O/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-19H,6-14H2,1-5H3",[H]C(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
pristcoa,"Pristanoyl Coenzyme A",C40H68N7O17P3S,-4,0,0,,25137904,64039,,"",pristcoa,pristcoa,,NaN,"",pristcoa,"",,,MNXM7699,,NaN,,,XYJPSQPVCBNZHT-TUKYSRJDSA-J,"InChI=1S/C40H72N7O17P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)39(52)68-20-19-42-30(48)17-18-43-37(51)34(50)40(6,7)22-61-67(58,59)64-66(56,57)60-21-29-33(63-65(53,54)55)32(49)38(62-29)47-24-46-31-35(41)44-23-45-36(31)47/h23-29,32-34,38,49-50H,8-22H2,1-7H3,(H,42,48)(H,43,51)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t26?,27?,28?,29-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
prl45tca,"Prenol-45n teichoic acid",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15661,,,NaN,,,,"",
prl45tcaala,"Prenol-45n teichoic acid-alanine substituted",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15663,,,NaN,,,,"",
prl45tcaglc,"Prenol-45n teichoic acid-glucose substituted",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15662,,,NaN,,,,"",
prlp,"5-[(5-phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide",C15H21N5O15P2,-4,0,0,,NaN,NaN,,"",,,,NaN,"",prlp,"",,cpd02991,MNXM1408,,NaN,,,,"",
pro_D,"D-Proline",C5H9NO2,0,115.1305,115.0633285,C00763,8988,16313,HMDB0003411,"",,pro_D,FDB023166,8640,"D-PROLINE",pro__D,"",,cpd00567,MNXM162989,,NaN,344-25-2,DTXSID70883367,ONIBWKKTOPOVIA-SCSAIBSYSA-N,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1",[H]C1([H])C([H])([H])[N+]([H])([H])[C@@]([H])(C([O-])=O)C1([H])[H]
pro_L,"L-Proline",C5H9NO2,0,115.1305,115.0633285,C00148,145742,17203,HMDB0000162,"",pro_L,pro_L,FDB000570,128566,"PRO",pro__L,"L-Proline",DBMET00494,cpd00129,MNXM114,C00001388,29,147-85-3,DTXSID5044021,ONIBWKKTOPOVIA-BYPYZUCNSA-N,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1",[H]C1([H])C([H])([H])[N+]([H])([H])[C@]([H])(C([O-])=O)C1([H])[H]
proargasp,"Prolyl-Arginyl-Aspartate",C15H26N6O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SSSFPISOZOLQNP-CBMCFHRWSA-N,"InChI=1S/C15H26N6O6/c16-15(17)19-6-2-4-9(20-12(24)8-3-1-5-18-8)13(25)21-10(14(26)27)7-11(22)23/h8-10,18H,1-7H2,(H,20,24)(H,21,25)(H,22,23)(H,26,27)(H4,16,17,19)/t8?,9-,10+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([O-])=O
proargcys,"Prolyl-Arginyl-Cysteine",C14H27N6O4S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OLHDPZMYUSBGDE-CBMCFHRWSA-O,"InChI=1S/C14H26N6O4S/c15-14(16)18-6-2-4-9(12(22)20-10(7-25)13(23)24)19-11(21)8-3-1-5-17-8/h8-10,17,25H,1-7H2,(H,19,21)(H,20,22)(H,23,24)(H4,15,16,18)/p+1/t8?,9-,10+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])S[H]
proasncys,"Prolyl-Asparaginyl-Cysteine",C12H20N4O5S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WECYCNFPGZLOOU-ZHFSPANRSA-N,"InChI=1S/C12H20N4O5S/c13-9(17)4-7(11(19)16-8(5-22)12(20)21)15-10(18)6-2-1-3-14-6/h6-8,14,22H,1-5H2,(H2,13,17)(H,15,18)(H,16,19)(H,20,21)/t6?,7-,8+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])S[H]
procys,"Prolyl-Cysteine",C8H14N2O3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HXNYBZQLBWIADP-GDVGLLTNSA-N,"InChI=1S/C8H14N2O3S/c11-7(5-2-1-3-9-5)10-6(4-14)8(12)13/h5-6,9,14H,1-4H2,(H,10,11)(H,12,13)/t5?,6-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)C1([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])S[H]
prodslfd,"Protein disulfide",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd12139,,,NaN,,,,"",
prodthl,"Protein dithiol",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd12072,,,NaN,,,,"",
profvs,"Des-Isoproylpropionic Acid Fluvastatin",C18H16FNNaO2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
profvscoa,"Des-Isoproylpropionic-Acid-Fluvastatin-CoA",C37H42FN8NaO17P3S,-4,0,0,,NaN,NaN,,"",,profvscoa,,NaN,"",,"",,,,,NaN,,,,"",
proglnpro,"Prolyl-Glutaminyl-Proline",C15H24N4O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SKICPQLTOXGWGO-DVRYWGNFSA-N,"InChI=1S/C15H24N4O5/c16-12(20)6-5-10(18-13(21)9-3-1-7-17-9)14(22)19-8-2-4-11(19)15(23)24/h9-11,17H,1-8H2,(H2,16,20)(H,18,21)(H,23,24)/t9?,10-,11-/m0/s1",[H]OC(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)C2([H])N([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C1([H])[H]
proglulys,"Prolyl-Glutamatsyl-Lysine",C16H28N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VOZIBWWZSBIXQN-GLXQMMQGSA-N,"InChI=1S/C16H28N4O6/c17-8-2-1-4-12(16(25)26)20-15(24)11(6-7-13(21)22)19-14(23)10-5-3-9-18-10/h10-12,18H,1-9,17H2,(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t10?,11-,12+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
progly,"L-Prolinylglycine",C7H12N2O3,0,0,0,,6426709,NaN,,"",progly,,,NaN,"",progly,"",,,MNXM7481,,NaN,,,RNKSNIBMTUYWSH-YFKPBYRVSA-N,"InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1",[H]N(C(=O)[C@]1([H])C([H])([H])C([H])([H])C([H])([H])[N+]1([H])[H])C([H])([H])C([O-])=O
prohis,"Prolyl-Histidine",C11H16N4O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BEPSGCXDIVACBU-GKAPJAKFSA-N,"InChI=1S/C11H16N4O3/c16-10(8-2-1-3-13-8)15-9(11(17)18)4-7-5-12-6-14-7/h5-6,8-9,13H,1-4H2,(H,12,14)(H,15,16)(H,17,18)/t8?,9-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)C1([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1
prohistyr,"Prolyl-Histidyl-Tyrosine",C20H26N5O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XFFIGWGYMUFCCQ-ULQDDVLXSA-N,"InChI=1S/C20H25N5O5/c26-14-5-3-12(4-6-14)8-17(20(29)30)25-19(28)16(9-13-10-21-11-23-13)24-18(27)15-2-1-7-22-15/h3-6,10-11,15-17,22,26H,1-2,7-9H2,(H,21,23)(H,24,27)(H,25,28)(H,29,30)/t15-,16-,17-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
proleuarg,"Prolyl-Leucyl-Arginine",C17H33N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YXHYJEPDKSYPSQ-LWNNLKQOSA-O,"InChI=1S/C17H32N6O4/c1-10(2)9-13(23-14(24)11-5-3-7-20-11)15(25)22-12(16(26)27)6-4-8-21-17(18)19/h10-13,20H,3-9H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)(H4,18,19,21)/p+1/t11?,12-,13+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
prolyspro,"Prolyl-Lysyl-Proline",C16H29N4O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ULWBBFKQBDNGOY-SPOOISQMSA-O,"InChI=1S/C16H28N4O4/c17-8-2-1-5-12(19-14(21)11-6-3-9-18-11)15(22)20-10-4-7-13(20)16(23)24/h11-13,18H,1-10,17H2,(H,19,21)(H,23,24)/p+1/t11?,12-,13-/m0/s1",[H]OC(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)C2([H])N([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]
prophe,"Prolyl-Phenylalanine",C14H18N2O3,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,IWIANZLCJVYEFX-RYUDHWBXSA-N,"InChI=1S/C14H18N2O3/c17-13(11-7-4-8-15-11)16-12(14(18)19)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2,(H,16,17)(H,18,19)/t11-,12-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
proproarg,"Prolyl-Prolyl-Arginine",C16H29N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JLMZKEQFMVORMA-RAMGSTBQSA-O,"InChI=1S/C16H28N6O4/c17-16(18)20-8-2-5-11(15(25)26)21-13(23)12-6-3-9-22(12)14(24)10-4-1-7-19-10/h10-12,19H,1-9H2,(H,21,23)(H,25,26)(H4,17,18,20)/p+1/t10?,11-,12-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)C2([H])N([H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
propropro,"Prolyl-Prolyl-Proline",C15H23N3O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SBVPYBFMIGDIDX-GLXQMMQGSA-N,"InChI=1S/C15H23N3O4/c19-13(10-4-1-7-16-10)17-8-2-5-11(17)14(20)18-9-3-6-12(18)15(21)22/h10-12,16H,1-9H2,(H,21,22)/t10?,11-,12+/m0/s1",[H]OC(=O)[C@@]1([H])N(C(=O)[C@]2([H])N(C(=O)C3([H])N([H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C1([H])[H]
prostg1,"(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid",C20H31O5,-1,352.4651,352.2249741,C04654,5280710,15548,HMDB0001320,"",,,FDB022553,4444295,"13E-11-ALPHA-HYDROXY-915-DIOXOPROST-1",prostg1,"",,,MNXM168925,,6157,22973-19-9,,VXPBDCBTMSKCKZ-XQHNHVHJSA-M,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/p-1/b13-12+/t16-,17-,19-/m1/s1",[H]O[C@]1([H])C([H])([H])C(=O)[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)[C@@]1([H])C(\[H])=C(/[H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
prostgd2,"Prostaglandin D2",C20H31O5,-1,352.4651,352.2249741,C00696,448457,15555,HMDB0001403,"prostaglandin D2",prostgd2,prostgd2,FDB022602,395250,"5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O",prostgd2,"Prostaglandin D2",,,MNXM162433,,6221,41598-07-6,,BHMBVRSPMRCCGG-OUTUXVNYSA-M,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])C(=O)C([H])([H])[C@]([H])(O[H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
prostge1,"Prostaglandin E1",C20H33O5,-1,354.481,354.2406242,C04741,5280723,15544,HMDB0001442,"",,prostge1,FDB022625,4444306,"ALPROSTADIL",prostge1,"Alprostadil",DB00770,,MNXM162507,,416,745-65-3,DTXSID9022578,GMVPRGQOIOIIMI-DWKJAMRDSA-M,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/p-1/b13-12+/t15-,16+,17+,19+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])[C@]([H])(O[H])C([H])([H])C(=O)[C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
prostge2,"Prostaglandin E2",C20H31O5,-1,352.4651,352.2249741,C00584,5280360,15551,HMDB0001220,"prostaglandin E2",prostge2,prostge2,FDB022498,4444059,"5Z13E-15S-1115-DIHYDROXY-9-OXOPROS",prostge2,"Dinoprostone",DB00917,,MNXM162396,,6089,363-24-6,DTXSID4022947,XEYBRNLFEZDVAW-ARSRFYASSA-M,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])[C@]([H])(O[H])C([H])([H])C(=O)[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
prostgf2,"Prostaglandin F2a",C20H33O5,-1,354.481,354.2406242,C00639,5283078,15553,HMDB0001139,"prostaglandin F2 alpha",prostgf2,prostgf2,FDB022448,4446204,"5Z13E-15S-9-ALPHA11-ALPHA15-TRIHY",prostgf2,"",,,MNXM162704,,6032,551-11-1,DTXSID9022946,PXGPLTODNUVGFL-YNNPMVKQSA-M,"InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
prostgh2,"Prostaglandin H2",C20H31O5,-1,352.4651,352.2249741,C00427,445049,15554,HMDB0001381,"prostaglandin H2",prostgh2,prostgh2,FDB022592,392800,"PROSTAGLANDIN-H2",prostgh2,"Prostaglandin H2",,,MNXM162332,,3495,42935-17-1,,YIBNHAJFJUQSRA-YNNPMVKQSA-M,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/p-1/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])[C@]2([H])OO[C@@]([H])(C2([H])[H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
prostgi2,"Prostaglandin I2",C20H31O5,-1,352.4651,352.2249741,C01312,5282411,15552,HMDB0001335,"",prostgi2,prostgi2,FDB022560,4445566,"5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA",prostgi2,"Epoprostenol",,,MNXM162554,,778,35121-78-9,DTXSID5022988,KAQKFAOMNZTLHT-OZUDYXHBSA-M,"InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/p-1/b11-10+,15-8-/t14-,16+,17+,18+,19-/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])[C@]([H])(O[H])C([H])([H])[C@]2([H])O\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])[C@]12[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
protein,"Protein (generic placeholder)",,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
proteinsynth,"Protein biosynthesis",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd17041,,,NaN,,,,"",
protochloroph,"Protochlorophyllide",C35H30MgN4O5,-1,0,0,,NaN,NaN,HMDB0031148,"",,,,NaN,"",,"",,cpd01845,,,NaN,,,,"",
protrplys,"Prolyl-Tryptophanyl-Lysine",C22H32N5O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,FYXCBXDAMPEHIQ-JLMCIHFGSA-O,"InChI=1S/C22H31N5O4/c23-10-4-3-8-18(22(30)31)26-21(29)19(27-20(28)17-9-5-11-24-17)12-14-13-25-16-7-2-1-6-15(14)16/h1-2,6-7,13,17-19,24-25H,3-5,8-12,23H2,(H,26,29)(H,27,28)(H,30,31)/p+1/t17?,18-,19+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
protrpthr,"Prolyl-Tryptophanyl-Threonine",C20H26N4O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VBZXFFYOBDLLFE-HSHDSVGOSA-N,"InChI=1S/C20H26N4O5/c1-11(25)17(20(28)29)24-19(27)16(23-18(26)15-7-4-8-21-15)9-12-10-22-14-6-3-2-5-13(12)14/h2-3,5-6,10-11,15-17,21-22,25H,4,7-9H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t11-,15+,16+,17+/m1/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])[C@]([H])(O[H])C([H])([H])[H]
provalgln,"Prolyl-Valyl-Glutamine",C15H26N4O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JXVXYRZQIUPYSA-OJBNZGHXSA-N,"InChI=1S/C15H26N4O5/c1-8(2)12(19-13(21)9-4-3-7-17-9)14(22)18-10(15(23)24)5-6-11(16)20/h8-10,12,17H,3-7H2,1-2H3,(H2,16,20)(H,18,22)(H,19,21)(H,23,24)/t9?,10-,12+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1([H])N([H])C([H])([H])C([H])([H])C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]
prpncoa,"Acrylyl-CoA",C24H34N7O17P3S,-4,821.582,821.1257731,C00894,439340,15513,HMDB0002307,"",prpncoa,,FDB022958,388468,"ACRYLYL-COA",prpncoa,"",,cpd00663,MNXM650,,446,5776-58-9,,POODSGUMUCVRTR-IEXPHMLFSA-J,"InChI=1S/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/p-4/t13-,17-,18-,19+,23-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])=C([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
prpp,"Phosphoribosyl pyrophosphate",C5H8O14P3,-5,390.0696,389.9518147,C00119,7339,17111,HMDB0000280,"",prpp,prpp,FDB021928,7062,"PRPP",prpp,"Phosphoribosyl pyrophosphate",DB01632,cpd00103,MNXM91,C00007296,5274,7540-64-9,,PQGCEDQWHSBAJP-TXICZTDVSA-I,"InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/p-5/t2-,3-,4-,5-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(OP([O-])(=O)OP([O-])([O-])=O)O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H]
ps_hs,"Phosphatidylserine",C6H11NO6PFULLRCO2FULLR2CO2,-1,385.3041,385.1137825,,6323481,18303,HMDB0014291,"",ps_hs,ps_hs,,13628254,"",ps_hs,"Phosphatidylserine",,,MNXM5273,,NaN,8002-43-5,DTXSID3021279,UNJJBGNPUUVVFQ-ZJUUUORDSA-N,"InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1",[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])[H]
ps120,"Phosphatidylserine (didodecanoyl, n-C12:0)",C30H57N1O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",ps120,"",,cpd15552,MNXM7659,,NaN,,,,"",
ps140,"Phosphatidylserine (ditetradecanoyl, n-C14:0)",C34H65N1O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",ps140,"",,cpd15553,MNXM7665,,NaN,,,,"",
ps141,"Phosphatidylserine (ditetradec-7-enoyl, n-C14:1)",C34H61N1O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",ps141,"",,cpd15554,MNXM7664,,NaN,,,,"",
ps160,"Phosphatidylserine (dihexadecanoyl, n-C16:0)",C38H73N1O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",ps160,"",,cpd15555,MNXM32181,,NaN,,,,"",
ps161,"Phosphatidylserine (dihexadec-9-enoyl, n-C16:1)",C38H69N1O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",ps161,"",,cpd15556,MNXM7660,,NaN,,,,"",
ps180,"Phosphatidylserine (dioctadecanoyl, n-C18:0)",C42H81N1O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",ps180,"",,cpd15557,MNXM75116,,NaN,,,,"",
ps181,"Phosphatidylserine (dioctadec-11-enoyl, n-C18:1)",C42H77N1O10P1,-1,0,0,,NaN,NaN,,"",,,,NaN,"",ps181,"",,cpd15558,MNXM7662,,NaN,,,,"",
psai15,"Phosphatidylserine (12-methyl-tetradecanoyl, anteiso-C15)",C36H69NO10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15693,,,NaN,,,,"",
psai17,"Phosphatidylserine (14-methyl-hexadecanoyl, anteiso-C17)",C40H77NO10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15690,,,NaN,,,,"",
psd5p,"Pseudouridine 5-phosphate",C9H11N2O9P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",psd5p,"",,cpd00859,MNXM148492,,NaN,,,,"",
pser_D,"D-O-Phosphoserine",C3H6NO6P,-2,0,0,C02532,5539,37713,,"",,,,NaN,"",pser__D,"",,cpd01665,MNXM4752,,NaN,,,,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1",
pser_L,"Phosphoserine",C3H6NO6P,-2,185.0725,185.0089235,C01005,68841,15811,HMDB0000272,"",pser_L,pser_L,FDB021926,62074,"3-P-SERINE",pser__L,"Phosphoserine",DB04522,cpd00738,MNXM379,C00007287,5270,407-41-0,DTXSID1046348,BZQFBWGGLXLEPQ-REOHCLBHSA-L,"InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/p-2/t2-/m0/s1",[H][N+]([H])([H])[C@]([H])(C([O-])=O)C([H])([H])OP([O-])([O-])=O
psi14,"Phosphatidylserine (12-methyl-tridecanoyl, iso-C14)",C34H65NO10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15691,,,NaN,,,,"",
psi15,"Phosphatidylserine (13-methyl-tetradecanoyl, iso-C15)",C36H69NO10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15692,,,NaN,,,,"",
psi16,"Phosphatidylserine (14-methyl-pentadecanoyl, iso-C16)",C38H73NO10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15694,,,NaN,,,,"",
psi17,"Phosphatidylserine (15-methyl-hexadecanoyl, iso-C17)",C40H77NO10P,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15689,,,NaN,,,,"",
pslac,"(2R)-O-phospho-3-sulfolactic acid",C3H3O9PS,-4,0,0,C11536,13703,32896,,"",,,,NaN,"",,"",,cpd08366,,,NaN,,,,"InChI=1S/C3H7O9PS/c4-3(5)2(1-14(9,10)11)12-13(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H,9,10,11)/t2-/m0/s1",
psyl,"Psyllium",C9642006H15428700O8667414,0,0,0,,NaN,NaN,,"",psyl,psyl,,NaN,"",psyl,"",,,MNXM163567,,NaN,,,,"",
psylchol,"Psillium-Glycocholic Acid Complex",C9642032H15428743NO8667420,0,0,0,,NaN,NaN,,"",psylchol,psylchol,,NaN,"",psylchol,"",,,MNXM165091,,NaN,,,,"",
psyltchol,"Psyllium-Taurocholic Acid Complex",C9642032H15428745NO8667421S,0,0,0,,NaN,NaN,,"",psyltchol,psyltchol,,NaN,"",psyltchol,"",,,MNXM165092,,NaN,,,,"",
psyltdechol,"Psyllium-Taurodeoxycholic Acid Complex",C9642032H15428744NO8667420S,-1,0,0,,NaN,NaN,,"",,psyltdechol,,NaN,"",psyltdechol,"",,,MNXM165093,,NaN,,,,"",
ptdca,"Pentadecanoic acid",C15H29O2,-1,242.3975,242.2245802,C16537,13849,NaN,HMDB0000826,"",ptdca,ptdca,FDB010033,13249,"",ptdca,"",,,MNXM163568,C00007423,5789,1002-84-2,DTXSID2021652,WQEPLUUGTLDZJY-UHFFFAOYSA-M,"InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
ptdcacoa,"Pentadecanoyl Coenzyme A",C36H60N7O17P3S,-4,0,0,,NaN,NaN,,"",ptdcacoa,ptdcacoa,,NaN,"",ptdcacoa,"",,,MNXM7627,,NaN,,,SCSXIEYDNTTXJN-LCHJEVOHSA-J,"InChI=1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-33(48)30(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-29(46)34(58-35(25)59-61(49,50)51)43-24-42-28-31(37)40-23-41-32(28)43/h23-25,29-30,34-35,46-47H,4-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-4/t25?,29-,30-,34?,35+/m0/s1",[H]O[C@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])[C@]([H])(OP([O-])([O-])=O)OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]1([H])O[H]
ptdcacrn,"Pentadecanoylcarnitine",C22H43NO4,0,0,0,,NaN,NaN,,"",ptdcacrn,ptdcacrn,,NaN,"",ptdcacrn,"",,,MNXM8995,,NaN,,,MDDWQHVKSHTZTD-FQEVSTJZSA-N,"InChI=1S/C22H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)27-20(18-21(24)25)19-23(2,3)4/h20H,5-19H2,1-4H3/t20-/m0/s1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
ptrc,"Putrescine",C4H14N2,2,88.1515,88.10004839,C00134,1045,17148,HMDB0001414,"",ptrc,ptrc,FDB001494,13837702,"PUTRESCINE",ptrc,"Putrescine",DB01917,cpd00118,MNXM118,C00001428,3226,110-60-1,DTXSID4041107,KIDHWZJUCRJVML-UHFFFAOYSA-P,"InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2/p+2",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
ptth,"Palmityl-CoA",C11H22N2O4S,0,1005.943,1005.344874,C00154,15667,15525,HMDB0001338,"",ptth,ptth,FDB022562,14902,"PALMITYL-COA",ptth,"palmitoyl CoA",,cpd00620,MNXM1154,C00007462,6172,1763-10-6,,ZNXZGRMVNNHPCA-VIFPVBQESA-N,"InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1",[H]OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[H]
ptvst,"Pitavastatin",C50H46CaF2N2O8,0,421.4679871,421.1689364,,5282452,32020,HMDB0041991,"",,,,5282452,"",,"Pitavastatin",DB08860,,,,NaN,147511-69-1,DTXSID1048384,VGYFMXBACGZSIL-MCBHFWOFSA-N,"",
ptvstgluc,"Pitavastatin-Glucuronide",C62H62CaF2N2O20,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
ptvstlac,"Pitavastatin-Lactone",C50H44CaF2N2O6,2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
ptvstm13,"Pitavastatin-M13",C50H46CaF2N2O10,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
ptvstm3,"Pitavastatin-M3",C50H42CaF2N2O8,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
pullulan1200,"Pullulan (n=1200 repeat units, alpha-1,4 and alph-1,6 bounds)",C7200H12002O6001,0,0,0,,NaN,NaN,,"",,,,NaN,"",pullulan1200,"",,,MNXM148493,,NaN,,,,"",
pvs,"Pravastatin",C23H35NaO7,0,424.5339966,424.2461035,,54687,63618,,"",,,,49398,"",,"Pravastatin",DB00175,,,C00000565,NaN,81093-37-0,DTXSID6023498,TUZYXOIXSAXUGO-PZAWKZKUSA-N,"",
pvsgluc,"Pravastatin Glucuronide",C29H42NaO13,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
pyam5p,"Pyridoxamine 5'-phosphate",C8H12N2O5P,-1,248.173,248.056208,C00647,1053,18335,HMDB0001555,"",pyam5p,pyam5p,FDB021821,1024,"PYRIDOXAMINE-5P",pyam5p,"",,cpd00493,MNXM366,C00007506,NaN,529-96-4,DTXSID3046825,ZMJGSOSNSPKHNH-UHFFFAOYSA-M,"InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)/p-1",[H]OC1=C(N=C([H])C(=C1C([H])([H])[N+]([H])([H])[H])C([H])([H])OP([O-])([O-])=O)C([H])([H])[H]
pydam,"Pyridoxamine",C8H13N2O2,1,168.1931,168.0898776,C00534,1052,16410,HMDB0001431,"",pydam,pydam,FDB021819,1023,"PYRIDOXAMINE",pydam,"Pyridoxamine",,cpd00419,MNXM548,C00007504,238,85-87-0,DTXSID6046929,NHZMQXZHNVQTQA-UHFFFAOYSA-O,"InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3/p+1",[H]OC1=C(C(=C([H])N=C1C([H])([H])[H])C([H])([H])O[H])C([H])([H])[N+]([H])([H])[H]
pydx,"Pyridoxal",C8H9NO3,0,167.162,167.0582432,C00250,1050,17310,HMDB0001545,"",pydx,pydx,FDB011169,1021,"PYRIDOXAL",pydx,"Pyridoxal",DB00147,cpd00215,MNXM311,C00007509,6312,66-72-8,DTXSID4046020,RADKZDMFGJYCBB-UHFFFAOYSA-N,"InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3",[H]OC1=C(N=C([H])C(=C1C([H])=O)C([H])([H])O[H])C([H])([H])[H]
pydx5p,"Pyridoxal 5'-phosphate",C8H8NO6P,-2,247.1419,247.0245736,C00018,1051,18405,HMDB0001491,"",pydx5p,pydx5p,FDB021820,1022,"PYRIDOXAL_PHOSPHATE",pydx5p,"Pyridoxal 5'-phosphate",,cpd00016,MNXM161,C00007503,6275,54-47-7,DTXSID4048351,NGVDGCNFYWLIFO-UHFFFAOYSA-L,"InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)/p-2",[H]OC1=C(N=C([H])C(=C1C([H])=O)C([H])([H])OP([O-])([O-])=O)C([H])([H])[H]
pydxn,"Pyridoxine",C8H11NO3,0,169.1778,169.0738932,C00314,1054,16709,HMDB0000239,"",pydxn,pydxn,FDB000574,1025,"CPD-455",pydxn,"Pyridoxine",DB00165,cpd00263,MNXM419,C00001551,5245,65-23-6,DTXSID4023541,LXNHXLLTXMVWPM-UHFFFAOYSA-N,"InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3",[H]OC1=C(C(=C([H])N=C1C([H])([H])[H])C([H])([H])O[H])C([H])([H])O[H]
pylald,"Perillyl aldehyde",C10H14O,0,150.221,150.1044651,C02576,16441,15421,HMDB0003647,"",,,FDB014789,15589,"",pylald,"Perillyl aldehyde",,,MNXM165094,C00010871,NaN,2111-75-3,DTXSID6051855,RUMOYJJNUMEFDD-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3",[H]C([H])=C(C([H])([H])[H])C1([H])C([H])([H])C([H])=C(C([H])=O)C([H])([H])C1([H])[H]
pyr,"Pyruvic acid",C3H3O3,-1,88.0621,88.01604399,C00022,1060,32816,HMDB0000243,"",pyr,pyr,FDB008293,1031,"PYRUVATE",pyr,"Pyruvic acid",DB00119,cpd00020,MNXM23,C00001200,117,127-17-3,DTXSID2021650,LCTONWCANYUPML-UHFFFAOYSA-M,"InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1",[H]C([H])([H])C(=O)C([O-])=O
q10,"Ubiquinone-1",C59H90O4,0,250.2903,250.1205091,C00399,4462,16389,HMDB0002012,"ubiquinone",q10,q10,FDB022794,4307,"",q10,"Ubiquinone",,,MNXM8440,,6435,727-81-1,DTXSID6046054,ACTIUHUUMQJHFO-UPTCCGCDSA-N,"InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C1=C(C(=O)C(OC([H])([H])[H])=C(OC([H])([H])[H])C1=O)C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
q10h2,"QH2",C59H92O4,0,0,0,C00390,5280344,NaN,HMDB0001304,"ubiquinol",q10h2,q10h2,FDB022543,4444052,"QH2",q10h2,"ubiquinol",,cpd11665,MNXM9200,,6146,,,QNTNKSLOFHEFPK-UPTCCGCDSA-N,"InChI=1S/C59H92O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+",[H]OC1=C(OC([H])([H])[H])C(OC([H])([H])[H])=C(O[H])C(=C1C([H])([H])[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
q8,"Ubiquinone-8",C49H74O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",q8,"",,cpd15560,MNXM232,,NaN,,,,"",
q8h2,"Ubiquinol-8",C49H76O4,0,0,0,,NaN,NaN,HMDB0001060,"",,,,NaN,"",q8h2,"",,cpd15561,MNXM191,,NaN,,,,"",
quint,"Quinate",C7H11O6,-1,0,0,,NaN,NaN,HMDB0003072,"",,,,NaN,"",,"",,cpd00248,,,NaN,,,,"",
quln,"Quinolinic acid",C7H3NO4,-2,167.1189,167.0218577,C03722,1066,16675,HMDB0000232,"",quln,quln,FDB021913,1037,"QUINOLINATE",quln,"Quinolinic_acid",,cpd02333,MNXM555,C00007381,330,89-00-9,DTXSID8041327,GJAWHXHKYYXBSV-UHFFFAOYSA-L,"InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)/p-2",[H]C1=C([H])C([H])=C(C([O-])=O)C(=N1)C([O-])=O
R1coa_hs,"R Group 1 Coenzyme A",XCO2C21H31N7O15P3S,-4,0,0,,NaN,NaN,,"",R1coa_hs,,,NaN,"",R1coa_hs,"",,,MNXM5286,,NaN,,,,"",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC([*])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
r1p,"Ribose 1-phosphate",C5H9O8P,-2,230.1098,230.0191538,C00620,439236,16300,HMDB0001489,"",r1p,r1p,FDB022650,388373,"RIBOSE-1P",r1p,"",,cpd00475,MNXM295,,6273,14075-00-4,,YXJDFQJKERBOBM-TXICZTDVSA-L,"InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/p-2/t2-,3-,4-,5-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP([O-])([O-])=O)[C@]([H])(O[H])[C@]1([H])O[H]
R2coa_hs,"R Group 2 Coenzyme A",XCO2C21H31N7O15P3S,-4,0,0,,NaN,NaN,,"",R2coa_hs,R2coa_hs,,NaN,"",R2coa_hs,"",,,MNXM2278,,NaN,,,,"",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC([*])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
r2hic,"(R)-2-Hydroxyisocaproate",C6H11O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
r2hiccoa,"(R)-2-Hydroxyisocaproyl-CoA",C27H42N7O18P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
r34hpacoa,"(R)-3-(4-Hydroxyphenyl)acrylyl-CoA",C30H38N7O18P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
r34hpl,"(R)-3-(4-Hydroxyphenyl)lactate",C9H9O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
r34hplcoa,"(R)-3-(4-Hydroxyphenyl)lactyl-CoA",C30H40N7O19P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
r34hpp,"(R)-3-(4-Hydroxyphenyl)propionate",C9H9O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
r34hppcoa,"(R)-3-(4-Hydroxyphenyl)propionyl-CoA",C30H40N7O18P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
R3coa_hs,"R Group 3 Coenzyme A",XCO2C21H31N7O15P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",R3coa_hs,"",,,MNXM6416,,NaN,,,,"",
R4coa_hs,"R Group 4 Coenzyme A",XCO2C21H31N7O15P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",R4coa_hs,"",,,MNXM4799,,NaN,,,,"",
R5coa_hs,"R Group 5 Coenzyme A",XCO2C21H31N7O15P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",R5coa_hs,"",,,MNXM4800,,NaN,,,,"",
r5p,"D-Ribose 5-phosphate",C5H9O8P,-2,230.1098,230.0191538,C00117,439167,52742,HMDB0001548,"Ribulose-5-phosphate",r5p,r5p,FDB001615,388313,"RIBOSE-5P",r5p,"D-ribose-5-P",,cpd00101,MNXM15900,C00007473,6315,3615-55-2,,KTVPXOYAKDPRHY-NEEWWZBLSA-L,"InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/p-2/t2-,3-,4-,5+/m0/s1",[H]O[C@@]1([H])O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]([H])(O[H])[C@@]1([H])O[H]
R6coa_hs,"R Group 6 Coenzyme A",XCO2C21H31N7O15P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",R6coa_hs,"",,,MNXM12840,,NaN,,,,"",
raffin,"Raffinose",C18H32O16,0,0,0,,NaN,NaN,HMDB0003213,"",,,,NaN,"",raffin,"",,cpd00382,MNXM621,,NaN,,,,"",
razur,"Reduced azurin",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd12712,,,NaN,,,,"",
rb15bp,"D-Ribulose 1,5-bisphosphate",C5H8O11P2,-4,0,0,,NaN,NaN,,"",,,,NaN,"",rb15bp,"",,cpd00871,MNXM1276,,NaN,,,,"",
rbflvrd,"Reduced riboflavin",C17H22N4O6,0,0,0,,NaN,NaN,HMDB0001557,"",,,,NaN,"",rbflvrd,"",,,MNXM1246,,NaN,,,,"",
rbl_D,"D-Ribulose",C5H10O5,0,150.1299,150.0528234,C00309,151261,17173,HMDB0000621,"",rbl_D,rbl_D,FDB004270,133316,"",rbl__D,"D-Ribulose",,cpd00258,MNXM41271,C00001131,5594,488-84-6,DTXSID30204115,ZAQJHHRNXZUBTE-NQXXGFSBSA-N,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5-/m1/s1",[H]OC([H])([H])C(=O)[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H]
rbl_L,"L-Ribulose",C5H10O5,0,0,0,,NaN,NaN,HMDB0003371,"",,,,NaN,"",rbl__L,"",,cpd00397,MNXM685,,NaN,,,,"",
rbt,"Ribitol",C5H12O5,0,152.1458,152.0684735,C00474,827,15963,HMDB0000508,"",rbt,rbt,FDB022083,10254628,"RIBITOL",rbt,"Ribitol",,cpd00366,MNXM1820,C00001171,316,488-81-3,,HEBKCHPVOIAQTA-ZXFHETKHSA-N,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-",[H]OC([H])([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H]
rdmbzi,"N1-(alpha-D-ribosyl)-5,6-dimethylbenzimidazole",C14H18N2O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",rdmbzi,"",,cpd03423,MNXM1539,,NaN,,,,"",
retfa,"Fatty Acid Retinol",C20H29OFULLR2CO,0,0,0,,NaN,NaN,,"",retfa,retfa,,NaN,"",retfa,"",,,MNXM6266,,NaN,,,,"",
retinal,"Retinal",C20H28O,0,284.4429932,284.2140155,C00376,638015,17898,HMDB0001358,"",retinal,retinal,FDB022576,553582,"CPD-881",retinal,"Retinal",,cpd00304,MNXM425,,6188,116-31-4,DTXSID5025998,NCYCYZXNIZJOKI-UHFFFAOYSA-N,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3",[H]C(=O)C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
retinal_11_cis,"11-cis-Retinaldehyde",C20H28O,0,284.4357,284.2140155,C02110,5280490,16066,HMDB0002152,"",retinal_11_cis,retinal_11_cis,FDB022871,4444130,"CPD-881",retinal_11_cis,"",,,MNXM1793,,6513,564-87-4,DTXSID80415057,NCYCYZXNIZJOKI-IOUUIBBYSA-N,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6-,12-11+,16-8+,17-13+",[H]C(=O)C(\[H])=C(\C(\[H])=C(\[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])/C([H])([H])[H]
retinal_cis_13,"13-cis-Retinal",C20H28O,0,284.4357,284.2140155,,6436079,45487,HMDB0006220,"",retinal_cis_13,retinal_cis_13,FDB023844,4940755,"",retinal_cis_13,"",,,MNXM6641,,NaN,472-86-6,DTXSID0025997,NCYCYZXNIZJOKI-HWCYFHEPSA-N,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13-",[H]C(=O)C(\[H])=C(/C(/[H])=C(\[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
retinal_cis_9,"Retinal",C20H28O,0,284.4357,284.2140155,C00376,638015,17898,HMDB0001358,"",retinal_cis_9,retinal_cis_9,FDB022576,553582,"CPD-881",retinal_cis_9,"Retinal",,,MNXM162775,,6188,116-31-4,DTXSID5025998,NCYCYZXNIZJOKI-OVSJKPMPSA-N,"InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",[H]C(=O)C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H]
retinol,"Vitamin A",C20H30O,0,286.4590149,286.2296656,C00473,445354,17336,HMDB0000305,"",retinol,retinol,FDB013828,393012,"RETINOL",retinol,"Vitamin A",,cpd00365,MNXM162234,C00031437,NaN,68-26-8,DTXSID3023556,FPIPGXGPPPQFEQ-UHFFFAOYSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3",[H]OC([H])([H])C([H])=C(C([H])=C([H])C([H])=C(C([H])=C([H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
retinol_9_cis,"Vitamin A",C20H30O,0,286.4516,286.2296656,C00473,445354,17336,HMDB0000305,"",retinol_9_cis,retinol_9_cis,FDB013828,393012,"RETINOL",retinol_9_cis,"Vitamin A",,,MNXM162711,C00031437,NaN,68-26-8,DTXSID3023556,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",[H]OC([H])([H])C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H]
retinol_cis_11,"11-cis-Retinol",C20H30O,0,286.4516,286.2296656,C00899,5280382,16302,HMDB0006216,"",retinol_cis_11,retinol_cis_11,FDB023840,4444073,"CPD-882",retinol_cis_11,"",,cpd00667,MNXM162437,,NaN,22737-96-8,,FPIPGXGPPPQFEQ-FBVOPCRUSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6-,12-11?,16-8-,17-13+",[H]OC([H])([H])C(\[H])=C(\C(\[H])=C(\[H])C([H])=C(\C([H])=C(/[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H]
retinol_cis_13,"13-cis Retinol",C20H30O,0,286.4516,286.2296656,C19962,9904001,45479,HMDB0006221,"",retinol_cis_13,retinol_cis_13,FDB010848,8079655,"",retinol_cis_13,"",,,MNXM148158,,NaN,2052-63-3,,FPIPGXGPPPQFEQ-HWCYFHEPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13-",[H]OC([H])([H])C(\[H])=C(/C(/[H])=C(\[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
retn,"All-trans-retinoic acid",C20H27O2,-1,300.4351,300.2089301,C00777,444795,15367,HMDB0001852,"",retn,retn,FDB022710,392618,"RETINOATE",retn,"Retinoic acid",DB00755,cpd00577,MNXM521,,2277,302-79-4,DTXSID7021239,SHGAZHPCJJPHSC-YCNIQYBTSA-M,"InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14+",[H]/C(=C(/[H])\C(=C(/[H])C([O-])=O)\C([H])([H])[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H]
retncoa,"Retinoyl CoA",C41H58N7O17P3S,-4,1049.954,1049.313574,,14232703,NaN,HMDB0006508,"",retncoa,,FDB023947,NaN,"",retncoa,"",,,MNXM169005,,NaN,81295-48-9,,GREHPZMOJNYZIO-QXBAZQDESA-J,"InChI=1S/C41H62N7O17P3S/c1-25(13-14-28-27(3)12-9-16-40(28,4)5)10-8-11-26(2)20-31(50)69-19-18-43-30(49)15-17-44-38(53)35(52)41(6,7)22-62-68(59,60)65-67(57,58)61-21-29-34(64-66(54,55)56)33(51)39(63-29)48-24-47-32-36(42)45-23-46-37(32)48/h8,10-11,13-14,20,23-24,29,33-35,39,51-52H,9,12,15-19,21-22H2,1-7H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b11-8+,14-13+,25-10+,26-20+/t29-,33-,34-,35?,39-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
retnglc,"Retinoyl b-glucuronide",C26H35O8,-1,476.5592,476.2410181,C11061,5281877,28870,HMDB0003141,"",retnglc,retnglc,FDB023112,4445170,"Beta-D-Glucuronides",retnglc,"Glucuronide",DBMET00561,,MNXM91293,,2280,401-10-5,DTXSID40274187,MTGFYEHKPMOVNE-JZXLACIESA-M,"InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/p-1/b9-6+,12-11-,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1",[H]O[C@@]1([H])[C@]([H])(OC(=O)C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C([H])=C([H])C2=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])O[C@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@]1([H])O[H]
rhamnogalurI,"Potato rhamnogalacturonan I, MW assumed ~200000, 62 galur, 20 rmn, 12 gal, 3 arab-L, 1 xyl-D (www.megazyme.com, PMID: 16661590)",C5840H7862O5281,-620,0,0,G09800,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
rhamnogalurII,"Wine rhamnogalacturonan II, MW ~ 5-10 kDa, 37% galur, 16% rmn, 3% fuc-L, 11% arab-L, 6% gal, 5% glcur, 4% 2omfuc, 3% 2omxyl, 6% ... <Preview truncated at 128 characters>",C317H445O273,-27,0,0,G06506,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
rhcys,"S-Ribosyl-L-homocysteine",C9H17NO6S,0,0,0,,NaN,NaN,,"",,,,NaN,"",rhcys,"",,cpd02227,MNXM1777,,NaN,,,,"",
rib_D,"D-Ribose",C5H10O5,0,150.1299,150.0528234,C00121,5779,16988,HMDB0000283,"",rib_D,rib_D,FDB011145,5575,"CPD-10330",rib__D,"Ribose",DB01936,cpd00105,MNXM242,C00034198,313,50-69-1,DTXSID6043917,HMFHBZSHGGEWLO-SOOFDHNKSA-N,"InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H]
ribflv,"Riboflavin",C17H20N4O6,0,376.3639,376.1382844,C00255,493570,17015,HMDB0000244,"",ribflv,ribflv,FDB012160,431981,"RIBOFLAVIN",ribflv,"Riboflavin",DB00140,cpd00220,MNXM270,C00001552,5249,83-88-5,DTXSID8021777,AUNGANRZJHBGPY-SCRDCRAPSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])N1C2=NC(=O)N([H])C(=O)C2=NC2=C([H])C(=C(C([H])=C12)C([H])([H])[H])C([H])([H])[H]
rml,"L-Rhamnulose",C6H12O5,0,0,0,,NaN,NaN,HMDB0010207,"",,,,NaN,"",rml,"",,cpd00642,MNXM1750,,NaN,,,,"",
rml1p,"L-Rhamnulose 1-phosphate",C6H11O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",rml1p,"",,cpd00831,MNXM1675,,NaN,,,,"",
rmn,"L-Rhamnose",C6H12O5,0,0,0,,NaN,NaN,HMDB0000849,"",,,,NaN,"",rmn,"",,cpd00396,MNXM2967,,NaN,,,,"",
rnam,"Nicotinamide riboside",C11H15N2O5,1,255.2472,255.0980966,C03150,439924,15927,HMDB0000855,"",rnam,rnam,FDB022281,388956,"NICOTINAMIDE_RIBOSE",rnam,"Nicotinamide_riboside",,cpd02016,MNXM1115,,5818,1341-23-7,,JLEBZPBDRKPWTD-TURQNECASA-O,"InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([N+]2=C([H])C([H])=C([H])C(=C2[H])C(=O)N([H])[H])[C@]([H])(O[H])[C@]1([H])O[H]
rnatrans,"RNA transcription",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd17043,,,NaN,,,,"",
rsv,"Rosuvastatin",C44H54CaF2N6O12S2,0,481.5400085,481.168285,D01915,446157,38545,,"",,,,393589,"",,"Rosuvastatin",DB01098,,,,NaN,287714-41-4,DTXSID8048492,BPRHUIZQVSMCRT-VEUZHWNKSA-N,"",
rsvgluc,"Rosuvastatin-Glucuronide",C56H70CaF2N6O24S2,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
rsvlac,"Rosuvastatin-5S-Lactone",C44H52CaF2N6O10S2,2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
Rtotal,"R Total",CO2FULLR,-1,0,0,,NaN,NaN,,"",Rtotal,Rtotal,,NaN,"",Rtotal,"",,,MNXM4098,,NaN,,,,"",[O-]C([*])=O
Rtotal2,"R Total 2 Position",CO2FULLR2,-1,0,0,,NaN,NaN,,"",Rtotal2,Rtotal2,,NaN,"",Rtotal2,"",,,MNXM2723,,NaN,,,,"",[O-]C([*])=O
Rtotal2coa,"R Total 2 Coenzyme A",CO2FULLR2C21H31N7O15P3S,-4,0,0,,NaN,NaN,,"",Rtotal2coa,Rtotal2coa,,NaN,"",Rtotal2coa,"",,,MNXM4801,,NaN,,,,"",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC([*])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
Rtotal2crn,"R Total 2 Carnitine",CO2FULLR2C7H14NO2,0,0,0,,NaN,NaN,,"",,,,NaN,"",Rtotal2crn,"",,,MNXM9074,,NaN,,,,"",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]([H])(OC([*])=O)C([H])([H])C([O-])=O
Rtotal3,"R Total 3 Position",CO2FULLR3,-1,0,0,,NaN,NaN,,"",Rtotal3,Rtotal3,,NaN,"",Rtotal3,"",,,MNXM9076,,NaN,,,,"",
Rtotal3coa,"R Total 3 Coenzyme A",CO2FULLR3C21H31N7O15P3S,-4,0,0,,NaN,NaN,,"",Rtotal3coa,Rtotal3coa,,NaN,"",Rtotal3coa,"",,,MNXM5287,,NaN,,,,"",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC([*])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
Rtotal3crn,"R Total 3 Carnitine",CO2FULLR3C7H14NO2,0,0,0,,NaN,NaN,,"",,Rtotal3crn,,NaN,"",Rtotal3crn,"",,,MNXM9075,,NaN,,,,"",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]([H])(OC([*])=O)C([H])([H])C([O-])=O
Rtotalcoa,"R Total Coenzyme A",CO2FULLRC21H31N7O15P3S,-4,0,0,,NaN,NaN,,"",Rtotalcoa,Rtotalcoa,,NaN,"",Rtotalcoa,"",,,MNXM2279,,NaN,,,,"",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC([*])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
Rtotalcrn,"R Total Carnitine",CO2FULLRC7H14NO2,0,0,0,,NaN,NaN,,"",,,,NaN,"",Rtotalcrn,"",,,MNXM9077,,NaN,,,,"",[H]C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]([H])(OC([*])=O)C([H])([H])C([O-])=O
ru5p_D,"D-Ribulose 5-phosphate",C5H9O8P,-2,230.1098,230.0191538,C00199,439184,17363,HMDB0000618,"",ru5p_D,ru5p_D,FDB022145,20015724,"RIBULOSE-5P",ru5p__D,"Ribulose 5-phosphate",,cpd00171,MNXM145,,5591,4151-19-3,,FNZLKVNUWIIPSJ-UHNVWZDZSA-L,"InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/p-2/t4-,5+/m1/s1",[H]OC([H])([H])C(=O)[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])OP([O-])([O-])=O
ru5p_L,"L-Ribulose 5-phosphate",C5H9O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",ru5p__L,"",,cpd00808,MNXM901,,NaN,,,,"",
s,"Sulfur",S,0,0,0,,NaN,NaN,HMDB0000598,"",,,,NaN,"",s,"",,cpd00074,MNXM162285,,NaN,,,,"",
s17bp,"Sedoheptulose 1,7-bisphosphate",C7H12O13P2,-4,0,0,,NaN,NaN,HMDB0060274,"",,,,NaN,"",s17bp,"",,cpd00349,MNXM1294,,NaN,,,,"",
s2l2fn2m2masn,"Pa6",C90H145N6O65X,-2,0,0,G00018,NaN,NaN,,"",s2l2fn2m2masn,s2l2fn2m2masn,,NaN,"",s2l2fn2m2masn,"",,,MNXM6369,,NaN,,,,"",
s2l2n2m2m,"De-Fuc Form Of Pa6 (Wo Peptide Linkage)",C84H136N6O62,-2,0,0,,NaN,NaN,,"",s2l2n2m2m,s2l2n2m2m,,NaN,"",s2l2n2m2m,"",,,MNXM8517,,NaN,,,,"",
s2l2n2m2masn,"De-Fuc Form Of Pa6",C84H135N6O61X,-2,0,0,,NaN,NaN,,"",s2l2n2m2masn,s2l2n2m2masn,,NaN,"",s2l2n2m2masn,"",,,MNXM7256,,NaN,,,,"",
s2l2n2m2mn,"De-Fuc, Reducing GlcNac Removed Form Of Pa6 (w/o Peptide Linkage)",C76H123N5O57,-2,0,0,,NaN,NaN,,"",s2l2n2m2mn,s2l2n2m2mn,,NaN,"",s2l2n2m2mn,"",,,MNXM7257,,NaN,,,,"",
s3meacmp,"Sulphate-Conjugate-3-Methoxy-Acetaminophen",C8H8NO6S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
s7p,"D-Sedoheptulose 7-phosphate",C7H13O10P,-2,290.1618,290.0402832,C00281,22833559,15721,HMDB0001068,"",s7p,s7p,FDB022407,17216052,"D-SEDOHEPTULOSE-7-P",s7p,"sedoheptulose 7-phosphate",,cpd00238,MNXM271,C00019575,5980,2646-35-7,,JDTUMPKOJBQPKX-GBNDHIKLSA-L,"InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/p-2/t4-,5-,6-,7+/m1/s1",[H]OC([H])([H])C(=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])OP([O-])([O-])=O
sacald,"Sulfoacetaldehyde",C2H3O4S,-1,0,0,C00593,NaN,NaN,,"",,,,NaN,"",,"",,cpd00460,,,63298,,,,"",
saccrp_L,"Saccharopine",C11H19N2O6,-1,276.2863,276.1321364,C00449,160556,16927,HMDB0000279,"",saccrp_L,saccrp_L,FDB000461,141086,"SACCHAROPINE",saccrp__L,"Saccharopine",DB04207,cpd00351,MNXM384,C00007227,383,997-68-2,,ZDGJAHTZVHVLOT-YUMQZZPRSA-M,"InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/p-1/t7-,8-/m0/s1",[H][N+]([H])([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O
salc,"Salicylic acid, o-Hydroxybenzoic acid",C7H5O3,-1,0,0,,NaN,NaN,,"",,,,NaN,"",salc,"",,cpd00599,MNXM378,,NaN,,,,"",
salc6p,"Salicin 6-phosphate",C13H17O10P,-2,0,0,C06188,NaN,NaN,,"",,,,NaN,"",salc6p,"",,cpd03698,MNXM3356,,NaN,,,,"",
salcn,"Salicin",C13H18O7,0,286.2778,286.1052529,C01451,439503,17814,HMDB0003546,"",,,FDB023194,388601,"CPD-1181",salcn,"Salicin",,cpd01030,MNXM2561,C00002672,6948,138-52-3,DTXSID10883326,NGFMICBWJRZIBI-UJPOAAIJSA-N,"",
sarcs,"Sarcosine",C3H7NO2,0,89.0932,89.04767847,C00213,1088,15611,HMDB0000271,"",sarcs,sarcs,FDB021925,1057,"SARCOSINE",sarcs,"Sarcosine",,cpd00183,MNXM300,,51,107-97-1,DTXSID1047025,FSYKKLYZXJSNPZ-UHFFFAOYSA-N,"InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)",[H]C([H])([H])[N+]([H])([H])C([H])([H])C([O-])=O
sbcoa,"Suberyl Coenzyme A",C29H43N7O19P3S,-5,0,0,,NaN,NaN,,"",sbcoa,sbcoa,,NaN,"",sbcoa,"",,,MNXM163582,,NaN,,,DBCRIBJPCBKAME-IHYVFSBVSA-I,"InChI=1S/C29H48N7O19P3S/c1-29(2,24(42)27(43)32-10-9-18(37)31-11-12-59-20(40)8-6-4-3-5-7-19(38)39)14-52-58(49,50)55-57(47,48)51-13-17-23(54-56(44,45)46)22(41)28(53-17)36-16-35-21-25(30)33-15-34-26(21)36/h15-17,22-24,28,41-42H,3-14H2,1-2H3,(H,31,37)(H,32,43)(H,38,39)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/p-5/t17-,22-,23-,24+,28-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
sbt_D,"Sorbitol",C6H14O6,0,182.1718,182.0790382,C00794,5780,17924,HMDB0000247,"",sbt_D,sbt_D,FDB011676,5576,"",sbt__D,"Sorbitol",DB01638,cpd00588,MNXM469,C00001173,143,50-70-4,DTXSID5023588,FBPFZTCFMRRESA-FSIIMWSLSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m0/s1",[H]OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H]
sbt_L,"L-Sorbitol",C6H14O6,0,0,0,,82170,NaN,,"",,,,NaN,"",sbt__L,"",,cpd01187,MNXM4638,,NaN,,,,"",
sbt6p,"D-Sorbitol 6-phosphate",C6H13O9P,-2,0,0,,NaN,NaN,HMDB0005831,"",,,,NaN,"",sbt6p,"",,cpd00804,MNXM393,,NaN,,,,"",
sbzcoa,"O-Succinylbenzoyl-CoA",C32H39N7O20P3S,-5,0,0,,NaN,NaN,,"",,,,NaN,"",sbzcoa,"",,cpd02021,MNXM1132,,NaN,,,,"",
scl,"Sirohydrochlorin",C42H39N4O16,-7,0,0,,NaN,NaN,,"",,,,NaN,"",scl,"",,cpd03426,MNXM863,,NaN,,,,"",
seahcys,"Se-Adenosylselenohomocysteine",C14H20N6O5Se,0,431.31,432.0660396,C05692,16682731,NaN,HMDB0011117,"",seahcys,,FDB027899,17615371,"",seahcys,"",,cpd03393,MNXM163574,,NaN,,,UVSMMLABJBJNGH-WFMPWKQPSA-N,"InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])[Se]C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
seasmet,"Se-Adenosylselenomethionine",C15H23N6O5Se,1,446.34,447.0895147,C05691,24892761,NaN,HMDB0011118,"",seasmet,,FDB027900,NaN,"",seasmet,"",,,MNXM3291,,NaN,,,GGJFWMOVUFBSIN-AIRLBKTGSA-O,"InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])[Se+](C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])[C@@]1([H])O[H])N1C([H])=NC2=C(N=C([H])N=C12)N([H])[H]
sebacid,"Sebacic acid",C10H16O4,-2,202.2475,202.1205091,C08277,5192,41865,HMDB0000792,"",sebacid,sebacid,FDB022247,5004,"CPD-3623",sebacid,"Sebacic acid",,,MNXM163575,C00001202,4240,111-20-6,DTXSID7026867,CXMXRPHRNRROMY-UHFFFAOYSA-L,"InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)/p-2",[H]C([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
sebcoa,"Sebacoyl Coenzyme A",C31H47N7O19P3S,-5,0,0,,NaN,NaN,,"",sebcoa,sebcoa,,NaN,"",sebcoa,"",,,MNXM10471,,NaN,,,JZXNELIZHJCEFA-CQDVDCODSA-I,"InChI=1S/C31H52N7O19P3S/c1-31(2,26(44)29(45)34-12-11-20(39)33-13-14-61-22(42)10-8-6-4-3-5-7-9-21(40)41)16-54-60(51,52)57-59(49,50)53-15-19-25(56-58(46,47)48)24(43)30(55-19)38-18-37-23-27(32)35-17-36-28(23)38/h17-19,24-26,30,43-44H,3-16H2,1-2H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-5/t19?,24?,25?,26?,30-/m0/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])O[C@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
sel,"Selenate",O4Se,-2,142.96,143.8961803,,26473,15075,HMDB0062761,"",,,FDB031169,NaN,"",sel,"Selenate",,,MNXM2282,,NaN,14124-68-6,DTXSID4074518,QYHFIVBSNOWOCQ-UHFFFAOYSA-L,"InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2",[O-][Se]([O-])(=O)=O
selcys,"Selenocysteine",C3H7NO2Se,0,168.05,168.9642003,C05688,25076,16633,HMDB0003288,"",selcys,,FDB002262,23436,"L-SELENOCYSTEINE",selcys,"Selenocysteine",DB02345,,MNXM727,C00034230,3292,,,ZKZBPNGNEQAJSX-UHFFFAOYSA-N,"InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)",[H][Se]C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H]
selcyst,"Selenocystathionine",C7H14N2O4Se,0,269.16,270.0118788,C05699,98223,26630,HMDB0006343,"",selcyst,,FDB023895,88693,"",selcyst,"Selenate",,cpd03398,MNXM1837,C00001392,NaN,2196-58-9,,ZNWYDQPOUQRDLY-UHFFFAOYSA-N,"InChI=1S/C7H14N2O4Se/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)",[H][N+]([H])([H])C([H])(C([O-])=O)C([H])([H])[Se]C([H])([H])C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H]
selhcys,"Selenohomocysteine",C4H9NO2Se,0,182.08,182.9798504,C05698,440763,NaN,HMDB0004119,"",selhcys,,FDB023315,389632,"SELENOHOMOCYSTEINE",selhcys,"",,cpd03397,MNXM2562,,NaN,29412-93-9,,RCWCGLALNCIQNM-VKHMYHEASA-N,"InChI=1S/C4H9NO2Se/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1",[H][Se]C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
selmeth,"Selenomethionine",C5H11NO2Se,0,196.11,196.9955004,C05335,15103,27585,HMDB0003966,"",selmeth,,FDB012156,14375,"SELENOMETHIONINE",selmeth,"Selenomethionine",,cpd03163,MNXM1676,,6993,3211-76-5,DTXSID7040609,RJFAYQIBOAGBLC-UHFFFAOYSA-N,"InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",[H]C([H])([H])[Se]C([H])([H])C([H])([H])C([H])(C([O-])=O)[N+]([H])([H])[H]
seln,"Hydrogen selenide",HSe,-1,80.98,81.93217189,C01528,533,16503,HMDB0011110,"",seln,,FDB027892,518,"",seln,"Hydrogen_selenide",,cpd01078,MNXM92652,,NaN,,DTXSID9021261,SPVXKVOXSXTJOY-UHFFFAOYSA-M,"InChI=1S/H2Se/h1H2/p-1",[Se-][H]
selni,"Selenite",SeO3,-2,126.9690018,127.902363,,NaN,NaN,HMDB0011119,"",,,,NaN,"",,"",,,,,NaN,14124-67-5,DTXSID9074517,MCAHWIHFGHIESP-UHFFFAOYSA-L,"InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2",
selnp,"Phosphoroselenoic acid",H2O3PSe,-1,160.96,161.8985023,C05172,1092,29269,HMDB0003840,"",selnp,,FDB023234,1061,"",selnp,"",,cpd03078,MNXM1339,,NaN,25758-66-1,,JRPHGDYSKGJTKZ-UHFFFAOYSA-M,"InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)/p-1",[H]OP([O-])(=[Se])O[H]
ser_D,"D-Serine",C3H7NO3,0,105.0926,105.0425931,C00740,71077,16523,HMDB0003406,"",ser_D,ser_D,FDB023164,64231,"Serines",ser__D,"DSN",,cpd00550,MNXM694,,6920,312-84-5,DTXSID9041021,MTCFGRXMJLQNBG-UWTATZPHSA-N,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1",[H]OC([H])([H])[C@]([H])(C([O-])=O)[N+]([H])([H])[H]
Ser_Gly_Ala_X_Gly,"Protein-Linked Serine Residue (Glycosaminoglycan Attachment Site)",XH,0,0,0,C02189,NaN,NaN,,"",Ser_Gly_Ala_X_Gly,Ser_Gly_Ala_X_Gly,,NaN,"",Ser_Gly_Ala_X_Gly,"",,,MNXM146222,,NaN,,,,"",[H]OC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
ser_L,"L-Serine",C3H7NO3,0,105.0926,105.0425931,C00065,5951,17115,HMDB0000187,"",ser_L,ser_L,FDB012739,5736,"SER",ser__L,"L-Serine",DB00133,cpd00054,MNXM53,C00001393,5203,56-45-1,DTXSID60883230,MTCFGRXMJLQNBG-REOHCLBHSA-N,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1",[H]OC([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
Ser_Thr,"Protein-Linked Serine Or Threonine Residue (O-Glycosylation Site)",XH,0,0,0,,NaN,NaN,,"",Ser_Thr,Ser_Thr,,NaN,"",Ser_Thr,"",,,MNXM147296,,NaN,,,,"",
serargala,"Seryl-Arginyl-Alanine",C12H25N6O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GXXTUIUYTWGPMV-BIIVOSGPSA-O,"InChI=1S/C12H24N6O5/c1-6(11(22)23)17-10(21)8(3-2-4-16-12(14)15)18-9(20)7(13)5-19/h6-8,19H,2-5,13H2,1H3,(H,17,21)(H,18,20)(H,22,23)(H4,14,15,16)/p+1/t6-,7-,8+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])[H]
serargtrp,"Seryl-Arginyl-Tryptophan",C20H30N7O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HZWAHWQZPSXNCB-IMJJTQAJSA-O,"InChI=1S/C20H29N7O5/c21-13(10-28)17(29)26-15(6-3-7-24-20(22)23)18(30)27-16(19(31)32)8-11-9-25-14-5-2-1-4-12(11)14/h1-2,4-5,9,13,15-16,25,28H,3,6-8,10,21H2,(H,26,29)(H,27,30)(H,31,32)(H4,22,23,24)/p+1/t13-,15+,16-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]
sercysarg,"Seryl-Cysteinyl-Arginine",C12H25N6O5S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BLPYXIXXCFVIIF-BIIVOSGPSA-O,"InChI=1S/C12H24N6O5S/c13-6(4-19)9(20)18-8(5-24)10(21)17-7(11(22)23)2-1-3-16-12(14)15/h6-8,19,24H,1-5,13H2,(H,17,21)(H,18,20)(H,22,23)(H4,14,15,16)/p+1/t6-,7-,8+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])O[H])C([H])([H])S[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
serglyglu,"Seryl-Glycyl-Glutamate",C10H16N3O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MIJWOJAXARLEHA-WDSKDSINSA-M,"InChI=1S/C10H17N3O7/c11-5(4-14)9(18)12-3-7(15)13-6(10(19)20)1-2-8(16)17/h5-6,14H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/p-1/t5-,6-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([O-])=O
serlyshis,"Seryl-Lysyl-Histidine",C15H27N6O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SRKMDKACHDVPMD-TUAOUCFPSA-O,"InChI=1S/C15H26N6O5/c16-4-2-1-3-11(20-13(23)10(17)7-22)14(24)21-12(15(25)26)5-9-6-18-8-19-9/h6,8,10-12,22H,1-5,7,16-17H2,(H,18,19)(H,20,23)(H,21,24)(H,25,26)/p+1/t10-,11+,12-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1
serphelys,"Seryl-Phenylalanyl-Lysine",C18H29N4O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XVWDJUROVRQKAE-SOUVJXGZSA-O,"InChI=1S/C18H28N4O5/c19-9-5-4-8-14(18(26)27)21-17(25)15(22-16(24)13(20)11-23)10-12-6-2-1-3-7-12/h1-3,6-7,13-15,23H,4-5,8-11,19-20H2,(H,21,25)(H,22,24)(H,26,27)/p+1/t13-,14-,15+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])O[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
sertrphis,"Seryl-Tryptophanyl-Histidine",C20H24N6O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XTWXRUWACCXBMU-UAGQMJEPSA-N,"InChI=1S/C20H24N6O5/c21-14(9-27)18(28)25-16(5-11-7-23-15-4-2-1-3-13(11)15)19(29)26-17(20(30)31)6-12-8-22-10-24-12/h1-4,7-8,10,14,16-17,23,27H,5-6,9,21H2,(H,22,24)(H,25,28)(H,26,29)(H,30,31)/t14-,16+,17-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])O[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C1=C([H])N([H])C([H])=N1
Sfglutth,"S-Formylglutathione",C11H16N3O7S,-1,335.334,335.0787206,C01031,189122,16225,HMDB0001550,"",,Sfglutth,FDB022685,164320,"CPD-548",Sfglutth,"",,cpd00759,MNXM952,,3469,50409-81-9,,FHXAGOICBFGEBF-BQBZGAKWSA-M,"InChI=1S/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/p-1/t6-,7-/m0/s1",[H]N(C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C([H])([H])SC([H])=O)C([H])([H])C([O-])=O
sgalside_hs,"Sulfatide Galactocerebroside",C24H45NO10SFULLRCO,-1,0,0,,NaN,NaN,,"",sgalside_hs,sgalside_hs,,NaN,"",sgalside_hs,"",,,MNXM7789,,NaN,,,,"",
sheme,"Siroheme",C42H36FeN4O16,-8,0,0,,NaN,NaN,,"",,,,NaN,"",sheme,"",,cpd00557,MNXM82173,,NaN,,,,"",
simvgluc,"Simvastatin-Acyl-Glucuronide",C31H47O12,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
skm,"Shikimate",C7H9O5,-1,0,0,,NaN,NaN,HMDB0003070,"",,,,NaN,"",skm,"",,cpd00383,MNXM602,,NaN,,,,"",
skm5p,"Shikimate 5-phosphate",C7H8O8P,-3,0,0,,NaN,NaN,,"",,,,NaN,"",skm5p,"",,cpd02030,MNXM1265,,NaN,,,,"",
sl_L,"(S)-3-Sulfonatolactate",C3H4O6S,-2,170.141,169.9885086,C11499,443233,16712,HMDB0060176,"",sl_L,sl_L,,391497,"",sl__L,"",,,MNXM90148,,NaN,,,CQQGIWJSICOUON-UWTATZPHSA-L,"InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/p-2/t2-/m1/s1",[H]O[C@@]([H])(C([O-])=O)C([H])([H])S([O-])(=O)=O
sl26da,"N-Succinyl-LL-2,6-diaminoheptanedioate",C11H16N2O7,-2,0,0,,NaN,NaN,HMDB0012267,"",,,,NaN,"",sl26da,"",,cpd02698,MNXM1488,,NaN,,,,"",
sl2a6o,"N-Succinyl-2-L-amino-6-oxoheptanedioate",C11H12NO8,-3,0,0,,NaN,NaN,HMDB0012266,"",,,,NaN,"",sl2a6o,"",,cpd02724,MNXM1563,,NaN,,,,"",
slfcys,"Cysteine-S-sulfate",C3H8NO5S2,-1,201.221,200.9765637,C05824,115015,27891,HMDB0000731,"",slfcys,slfcys,FDB022209,102939,"",slfcys,"",,,MNXM2428,,NaN,1637-71-4,DTXSID20167649,NOKPBJYHPHHWAN-REOHCLBHSA-M,"InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/p-1/t2-/m0/s1",[H][N+]([H])([H])[C@]([H])(C([O-])=O)C([H])([H])SS([O-])(=O)=O
smv,"Simvastatin (Lactone Form)",C25H38O5,0,0,0,D00434,54454,9150,HMDB0005007,"",,,,49179,"",,"Simvastatin",DB00641,,,,NaN,79902-63-9,,,"",
smvacid,"Simvastatin Dihydroxy (Acid Form)",C25H39O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
so3,"Sulfite",O3S,-2,80.063,79.95681456,C00094,1099,17359,HMDB0000240,"",so3,so3,FDB021915,1068,"SO3",so3,"Sulfite",,cpd00081,MNXM105630,C00019662,3223,14265-45-3,DTXSID4049791,LSNNMFCWUKXFEE-UHFFFAOYSA-L,"InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2",[O-]S([O-])=O
so4,"Sulfate",O4S,-2,96.063,95.95172918,C00059,1117,16189,HMDB0001448,"",so4,so4,FDB022629,1085,"NH42SO4",so4,"Sulfate",,cpd00048,MNXM58,C00007530,3233,14808-79-8,DTXSID3042425,QAOWNCQODCNURD-UHFFFAOYSA-L,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2",[O-]S([O-])(=O)=O
spc_hs,"LysoSM(d18:1)",C23H50N2O5P,1,465.6273,465.3457342,C03640,5280613,52897,HMDB0006482,"",spc_hs,spc_hs,FDB023932,4444221,"",spc_hs,"",,cpd02284,MNXM9115,,NaN,1670-26-4,DTXSID40274460,JLVSPVFPBBFMBE-HXSWCURESA-O,"InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])([N+]([H])([H])[H])C([H])([H])OP([O-])(=O)OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sph1p,"Sphinganine 1-phosphate",C18H39NO5P,-1,381.4877,381.2644099,C01120,644260,16893,HMDB0001383,"",sph1p,sph1p,FDB022594,559277,"CPD-649",sph1p,"",,,MNXM487,,3512,19794-97-9,,YHEDRJPUIRMZMP-ZWKOTPCHSA-M,"InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/p-1/t17-,18+/m0/s1",[H]O[C@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])([N+]([H])([H])[H])C([H])([H])OP([O-])([O-])=O
sphgn,"Sphinganine",C18H40NO2,1,301.5078,301.2980795,C00836,91486,16566,HMDB0000269,"",sphgn,sphgn,FDB021924,82609,"",sphgn,"",,cpd00623,MNXM302,C00007540,5268,764-22-7,,OTKJDMGTUTTYMP-ZWKOTPCHSA-O,"InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/p+1/t17-,18+/m0/s1",[H]OC([H])([H])[C@]([H])([N+]([H])([H])[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
sphings,"Sphingosine",C18H38NO2,1,299.4919,299.2824294,C00319,5353955,16393,HMDB0000252,"",sphings,sphings,FDB021919,4510275,"SPHINGOSINE",sphings,"Sphingosine",,cpd00267,MNXM162509,,392,123-78-4,,WWUZIQQURGPMPG-UHFFFAOYSA-O,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/p+1",[H]OC([H])([H])C([H])([N+]([H])([H])[H])C([H])(O[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
sphmyln_hs,"Sphingomyelin",C23H48N2O5PFULLRCO,0,0,0,,NaN,NaN,,"",sphmyln_hs,sphmyln_hs,,NaN,"",sphmyln_hs,"",,,MNXM5930,,NaN,,,CSURBFNJGNBURS-AHHYHCMUSA-P,"InChI=1S/C28H58N3O6P/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(32)26(29-28(33)24-31(5,6)7)25-37-38(34,35)36-23-22-30(2,3)4/h20-21,26-27,32H,8-19,22-25H2,1-7H3/p+2/b21-20+/t26-,27+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln180241_hs,"Sm (D18:0/24:1), Sphingomyelin",C47H96N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln180241_hs,,NaN,"",,"",,,,,NaN,,,XZBDYCJQWJNNJB-QZQOTICOSA-O,"InChI=1S/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,45-46,50H,6-19,22-44H2,1-5H3,(H-,48,51,52,53)/p+1/b21-20+",[H]OC([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln18114_hs,"Sm (D18:1/14:0), Sphingomyelin",C37H76N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln18114_hs,,NaN,"",,"",,,,,NaN,,,KYICBZWZQPCUMO-SJCQXOIGSA-O,"InChI=1S/C37H75N2O6P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-36(40)35(34-45-46(42,43)44-33-32-39(3,4)5)38-37(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h28,30,35-36,40H,6-27,29,31-34H2,1-5H3,(H-,38,41,42,43)/p+1/b30-28+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln18115_hs,"Sm (D18:1/15:0), Sphingomyelin",C38H78N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln18115_hs,,NaN,"",,"",,,,,NaN,,,LQINJRUGTUOHGS-OWWNRXNESA-O,"InChI=1S/C38H77N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-37(41)36(35-46-47(43,44)45-34-33-40(3,4)5)39-38(42)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h29,31,36-37,41H,6-28,30,32-35H2,1-5H3,(H-,39,42,43,44)/p+1/b31-29+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln18116_hs,"Sm (D18:1/16:0), Sphingomyelin",C39H80N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln18116_hs,,NaN,"",,"",,,,,NaN,,,RWKUXQNLWDTSLO-NHQGMKOOSA-O,"InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/p+1/b32-30+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln181161_hs,"Sm (D18:1/16:1), Sphingomyelin",C39H78N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln181161_hs,,NaN,"",,"",,,,,NaN,,,OAHFTKWSJGVMTG-ZXFPHQDQSA-O,"InChI=1S/C39H77N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,30,32,37-38,42H,6-16,18,20-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/p+1/b19-17+,32-30+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln18117_hs,"Sm (D18:1/17:0), Sphingomyelin",C40H82N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln18117_hs,,NaN,"",,"",,,,,NaN,,,YMQZQHIESOAPQH-QOSDPKFLSA-O,"InChI=1S/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/p+1/b33-31+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln18118_hs,"Sm (D18:1/18:0), Sphingomyelin",C41H84N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln18118_hs,,NaN,"",,"",,,,,NaN,,,LKQLRGMMMAHREN-NWBJSICCSA-O,"InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/p+1/b34-32+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln181181_hs,"Sm (D18:1/18:1), Sphingomyelin",C41H82N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln181181_hs,,NaN,"",,"",,,,,NaN,,,NBEADXWAAWCCDG-MNIQWHATSA-O,"InChI=1S/C41H81N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,32,34,39-40,44H,6-19,22-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/p+1/b21-20+,34-32+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln18120_hs,"Sm (D18:1/20:0), Sphingomyelin",C43H88N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln18120_hs,,NaN,"",,"",,,,,NaN,,,AADLTHQNYQJHQV-JMUUFCRMSA-O,"InChI=1S/C43H87N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h34,36,41-42,46H,6-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/p+1/b36-34+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln181201_hs,"Sm (D18:1/20:1), Sphingomyelin",C43H86N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln181201_hs,,NaN,"",,"",,,,,NaN,,,MDRFMTLYKHBJTF-BLIGVESQSA-O,"InChI=1S/C43H85N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,34,36,41-42,46H,6-19,22-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/p+1/b21-20+,36-34+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln18121_hs,"Sm (D18:1/21:0), Sphingomyelin",C44H90N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln18121_hs,,NaN,"",,"",,,,,NaN,,,YXSZOBWVQJIWNE-MHAUTQJVSA-O,"InChI=1S/C44H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/p+1/b37-35+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln18122_hs,"Sm (D18:1/22:0), Sphingomyelin",C45H92N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln18122_hs,,NaN,"",,"",,,,,NaN,,,FJJANLYCZUNFSE-BSKJHSHCSA-O,"InChI=1S/C45H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h36,38,43-44,48H,6-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/p+1/b38-36+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln181221_hs,"Sm (D18:1/22:1), Sphingomyelin",C45H90N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln181221_hs,,NaN,"",,"",,,,,NaN,,,VBFKEZGCUWHGSK-DGLUTTNBSA-O,"InChI=1S/C45H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h20-21,36,38,43-44,48H,6-19,22-35,37,39-42H2,1-5H3,(H-,46,49,50,51)/p+1/b21-20+,38-36+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln18123_hs,"Sm (D18:1/23:0), Sphingomyelin",C46H94N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln18123_hs,,NaN,"",,"",,,,,NaN,,,SXZWBNWTCVLZJN-NHFVQZBWSA-O,"InChI=1S/C46H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h37,39,44-45,49H,6-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/p+1/b39-37+",[H]OC([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln1824_hs,"Sm (D18:0/24:0), Sphingomyelin",C47H98N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln1824_hs,,NaN,"",,"",,,,,NaN,,,SMJLGESYPKPRNU-UHFFFAOYSA-O,"InChI=1S/C47H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h45-46,50H,6-44H2,1-5H3,(H-,48,51,52,53)/p+1",[H]OC([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphmyln1825_hs,"Sm (D18:0/25:0), Sphingomyelin",C48H100N2O6P,0,0,0,,NaN,NaN,,"",,sphmyln1825_hs,,NaN,"",,"",,,,,NaN,,,GFLDDOQLLVKYKC-UHFFFAOYSA-O,"InChI=1S/C48H99N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-48(52)49-46(45-56-57(53,54)55-44-43-50(3,4)5)47(51)41-39-37-35-33-31-29-19-17-15-13-11-9-7-2/h46-47,51H,6-45H2,1-5H3,(H-,49,52,53,54)/p+1",[H]OC([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OP(=O)(O[H])OC([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sphs1p,"Sphingosine 1-phosphate",C18H37NO5P,-1,379.4718,379.2487598,C06124,5353956,392583,HMDB0000277,"",sphs1p,sphs1p,FDB021927,4510276,"",sphs1p,"Sphingosine 1-phosphate",,,MNXM162589,,5272,26993-30-6,DTXSID4037166,DUYSYHSSBDVJSM-KRWOKUGFSA-M,"InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/p-1/b15-14+/t17-,18+/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])([N+]([H])([H])[H])C([H])([H])OP([O-])([O-])=O
spmd,"Spermidine",C7H22N3,3,145.2459,145.1578976,C00315,1102,16610,HMDB0001257,"",spmd,spmd,FDB012039,1071,"SPERMIDINE",spmd,"Spermidine",DB03566,cpd00264,MNXM124,C00001431,254,124-20-9,DTXSID4036645,ATHGHQPFGPMSJY-UHFFFAOYSA-Q,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/p+3",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
sprm,"Spermine",C10H30N4,4,202.3402,202.2157469,C00750,1103,15746,HMDB0001256,"",sprm,sprm,FDB003225,1072,"SPERMINE",sprm,"Spermine",DB00127,cpd00558,MNXM408,C00001432,255,71-44-3,DTXSID9058781,PFNFFQXMRSDOHW-UHFFFAOYSA-R,"InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4",[H][N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
sql,"Squalene",C30H50,0,410.718,410.3912516,C00751,11975273,15440,HMDB0000256,"",sql,sql,FDB015781,10148626,"SQUALENE",sql,"Squalene",,cpd00559,MNXM292,C00003755,197,111-02-4,DTXSID0026044,YYGNTYWPHWGJRM-AAJYLUCBSA-N,"InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
srb_L,"L-Sorbose",C6H12O6,0,180.1559,180.0633881,C00247,441484,10295,HMDB0001266,"",,,FDB001126,390208,"SORBOSE",srb__L,"L-Sorbose",,cpd00212,MNXM588,,6121,87-79-6,DTXSID1048704,LKDRXBCSQODPBY-BGPJRJDNSA-N,"InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1",[H]OC([H])([H])[C@@]1(O[H])OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
srbL1p,"Sorbose 1-phosphate",C6H12O9P,-1,260.1358,260.0297185,C02888,439837,38342,HMDB0006797,"",,,FDB024084,388882,"CPD-531",,"",,cpd01850,,,NaN,,,ZKLLSNQJRLJIGT-OTWZMJIISA-N,"",
srtn,"Serotonin",C10H13N2O,1,176.2151,176.094963,C00780,5202,28790,HMDB0000259,"",srtn,srtn,FDB012158,5013,"",srtn,"Serotonin",,cpd00579,MNXM357,C00001429,74,50-67-9,DTXSID8075330,QZAYGJVTTNCVMB-UHFFFAOYSA-O,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2/p+1",[H]OC1=C([H])C([H])=C2N([H])C([H])=C(C2=C1[H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
Ssq23epx,"(S)-2,3-Epoxysqualene",C30H50O,0,426.7174,426.3861662,C01054,53477723,15441,HMDB0001188,"",Ssq23epx,Ssq23epx,FDB022476,NaN,"EPOXYSQUALENE",Ssq23epx,"",,cpd00776,MNXM130,,3530,9029-62-3,,QYIMSPSDBYKPPY-RSKUXYSASA-N,"InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+/t29-/m0/s1",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C(=C([H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])OC1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
sT_antigen,"Sialyl-T Antigen",C25H40N2O18X,-1,0,0,C04901,NaN,16565,,"",sT_antigen,sT_antigen,,NaN,"",sT_antigen,"",,,MNXM12937,,NaN,,,,"",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C1([H])O[C@@](O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@@]([H])(O[H])[C@]([H])(O[C@]([H])([*])[C@]3([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])O[C@]([H])(C([H])([H])O[H])[C@]2([H])O[H])(C([O-])=O)C([H])([H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
sT_antigen_rl,"released sialyl-Tn antigen",C25H41N2O19,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
stacmp,"Sulphate-Conjugate of Thiomethyl-Acetaminophen",C9H10NO5S2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
starch1200,"Starch n=1200 repeat units (300 repeat units amylose, 900 repeat units amylopectin, corresponds to potatoe starch)",C7200H12002O6001,0,0,0,,NaN,NaN,,"",,,,NaN,"",starch1200,"",,,MNXM148510,,NaN,,,,"",
stcoa,"Stearoyl-CoA",C39H66N7O17P3S,-4,1033.996,1033.376174,C00412,439229,15541,HMDB0001114,"stearoyl-CoA",stcoa,stcoa,FDB022431,388366,"STEAROYL-COA",stcoa,"",,cpd00327,MNXM272,,4242,362-66-3,,SIARJEKBADXQJG-LFZQUHGESA-J,"InChI=1S/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
stcrn,"O-Octadecanoyl-R-Carnitine",C25H49NO4,0,0,0,,6426855,NaN,,"",stcrn,stcrn,,NaN,"",stcrn,"",,,MNXM9119,,NaN,,,FNPHNLNTJNMAEE-UHFFFAOYSA-N,"InChI=1S/C25H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h23H,5-22H2,1-4H3",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
steeth,"Stearoylethanolamide",C20H41NO2,0,327.545,327.3137296,,27902,386359,HMDB0013078,"",,steeth,FDB029286,25958,"",,"",,,,,NaN,111-57-9,DTXSID9042178,OTGQIQQTPXJQRG-UHFFFAOYSA-N,"InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
sTn_antigen,"Sialyl-Tn Antigen",C19H30N2O13X,-1,0,0,G00035,NaN,NaN,,"",sTn_antigen,sTn_antigen,,NaN,"",sTn_antigen,"",,,MNXM12938,,NaN,,,,"",
strch1,"Starch, Structure 1 (1,6-{7[1,4-Glc], 4[1,4-Glc]})",C66H112O56,0,0,0,,NaN,NaN,,"",strch1,strch1,,NaN,"",strch1,"",,,MNXM21840,,NaN,,,RZGVYAOTXSCCGK-UHFFFAOYSA-N,"InChI=1S/C66H112O56/c67-1-12-23(77)25(79)37(91)58(104-12)115-49-15(4-70)107-62(41(95)29(49)83)119-52-18(7-73)109-61(43(97)32(52)86)117-48-14(3-69)105-57(39(93)28(48)82)102-11-22-24(78)26(80)38(92)59(113-22)116-50-16(5-71)108-63(42(96)30(50)84)120-53-19(8-74)111-65(45(99)33(53)87)122-55-21(10-76)112-66(46(100)35(55)89)121-54-20(9-75)110-64(44(98)34(54)88)118-51-17(6-72)106-60(40(94)31(51)85)114-47-13(2-68)103-56(101)36(90)27(47)81/h12-101H,1-11H2",[H]OC([H])([H])C1([H])OC([H])(OC2([H])C([H])(O[H])C([H])(O[H])C([H])(OC3([H])C([H])(O[H])C([H])(O[H])C([H])(OC4([H])C([H])(O[H])C([H])(O[H])C([H])(OC([H])([H])C5([H])OC([H])(OC6([H])C([H])(O[H])C([H])(O[H])C([H])(OC7([H])C([H])(O[H])C([H])(O[H])C([H])(OC8([H])C([H])(O[H])C([H])(O[H])C([H])(OC9([H])C([H])(O[H])C([H])(O[H])C([H])(OC%10([H])C([H])(O[H])C([H])(O[H])C([H])(OC%11([H])C([H])(O[H])C([H])(O[H])C([H])(O[H])OC%11([H])C([H])([H])O[H])OC%10([H])C([H])([H])O[H])OC9([H])C([H])([H])O[H])OC8([H])C([H])([H])O[H])OC7([H])C([H])([H])O[H])OC6([H])C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C5([H])O[H])OC4([H])C([H])([H])O[H])OC3([H])C([H])([H])O[H])OC2([H])C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C1([H])O[H]
strch2,"Starch, Structure 2 (1,6-{2[1,4-Glc], [1,4-Glc]})",C18H32O16,0,0,0,,NaN,NaN,,"",strch2,strch2,,NaN,"",strch2,"",,,MNXM12953,,NaN,,,QSESWLKFTMBIPZ-UHFFFAOYSA-N,"InChI=1S/C18H32O16/c19-1-4-7(21)10(24)13(27)18(32-4)34-15-5(2-20)33-17(14(28)11(15)25)30-3-6-8(22)9(23)12(26)16(29)31-6/h4-29H,1-3H2",[H]OC([H])([H])C1([H])OC([H])(OC2([H])C([H])(O[H])C([H])(O[H])C([H])(OC([H])([H])C3([H])OC([H])(O[H])C([H])(O[H])C([H])(O[H])C3([H])O[H])OC2([H])C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C1([H])O[H]
strdnc,"Stearidonic acid",C18H27O2,-1,276.4137,276.2089301,C16300,5312508,32389,HMDB0006547,"",strdnc,strdnc,FDB002942,4471933,"",strdnc,"Stearidonic acid",,,MNXM12955,,NaN,20290-75-9,,JIWBIWFOSCKQMA-GHPZAJMGSA-M,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/p-1/b4-3?,7-6?,10-9-,13-12-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
strdnccoa,"Stearidonoyl CoA",C39H58N7O17P3S,-4,1025.933,1025.313574,C16163,52922033,NaN,HMDB0006519,"",strdnccoa,strdnccoa,FDB023955,NaN,"",strdnccoa,"",,,MNXM3361,,NaN,,,DDHCSALWDPRVCN-USWKVXSKSA-J,"InChI=1S/C39H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,14-15,26-28,32-34,38,49-50H,4,7,10,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b6-5-,9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
strdnccrn,"6Z,9Z,12Z,15Z-Octadecatetraenoylcarnitine",C25H41NO4,0,0,0,,53477835,NaN,,"",strdnccrn,strdnccrn,,NaN,"",strdnccrn,"",,,MNXM9118,,NaN,,,UQCYGYDOQKYSDD-DDSNQYNFSA-N,"InChI=1S/C25H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h6-7,9-10,13-14,17-18,23H,5,8,11-12,15-16,19-22H2,1-4H3/b7-6-,10-9-,14-13?,18-17-",[H]\C(=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
sttca1,"Stearoyllipoteichoic acid (n=24), linked, unsubstituted",C123H240O135P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15748,,,NaN,,,,"",
sttcaacgam,"Stearoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine",C315H552N24O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15766,,,NaN,,,,"",
sttcaala_D,"Stearoyllipoteichoic acid (n=24), linked, D-alanine substituted",C195H336N24O135P24,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15775,,,NaN,,,,"",
sttcaglc,"Stearoyllipoteichoic acid (n=24), linked, glucose substituted",C267H480O255P24,-24,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd15757,,,NaN,,,,"",
stys,"Stachyose",C24H42O21,0,0,0,,NaN,NaN,HMDB0003553,"",,,,NaN,"",stys,"",,cpd01133,MNXM1503,,NaN,,,,"",
subeac,"Suberic acid",C8H12O4,-2,174.1944,174.0892089,C08278,10457,9300,HMDB0000893,"",subeac,subeac,FDB003340,10025,"",subeac,"Suberic acid",,,MNXM12964,C00001204,4243,505-48-6,DTXSID8021644,TYFQFVWCELRYAO-UHFFFAOYSA-L,"InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)/p-2",[H]C([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
subgly,"Suberyl-Glycine",C10H15NO5,-2,0,0,,NaN,NaN,,"",,subgly,,NaN,"",,"",,,,,NaN,,,HXATVKDSYDWTCX-UHFFFAOYSA-L,"InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16)/p-2",[H]N(C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
suc6p,"Sucrose 6-phosphate",C12H21O14P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",suc6p,"",,cpd01693,MNXM1004,,NaN,,,,"",
sucacetat,"Succinyl-Acetoacetate",C8H8O6,-2,202.1620026,202.047738,,NaN,NaN,,"",,sucacetat,,NaN,"",,"",,,,,NaN,65115-74-4,DTXSID70215422,OMFWHSRZHVVVAL-UHFFFAOYSA-L,"InChI=1S/C8H10O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-4H2,(H,11,12)(H,13,14)/p-2",[H]C([H])(C([O-])=O)C(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([O-])=O
sucaceto,"Succinylacetone",C7H9O4,-1,158.1529999,158.0579088,,NaN,NaN,,"",,sucaceto,,NaN,"",,"",,,,,NaN,51568-18-4,DTXSID50199519,WYEPBHZLDUPIOD-UHFFFAOYSA-M,"InChI=1S/C7H10O4/c1-5(8)4-6(9)2-3-7(10)11/h2-4H2,1H3,(H,10,11)/p-1",[H]C([H])([H])C(=O)C([H])([H])C(=O)C([H])([H])C([H])([H])C([O-])=O
sucarg,"N2-Succinyl-L-arginine",C10H17N4O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",sucarg,"",,cpd02103,MNXM1756,,NaN,,,,"",
sucbz,"O-Succinylbenzoate",C11H8O5,-2,0,0,,NaN,NaN,,"",,,,NaN,"",sucbz,"",,cpd01772,MNXM1212,,NaN,,,,"",
succ,"Succinic acid",C4H4O4,-2,118.088,118.0266087,C00042,1110,15741,HMDB0000254,"succinic acid",succ,succ,FDB001931,1078,"SUC",succ,"Succinic acid",DB00139,cpd00036,MNXM25,C00001205,114,110-15-6,DTXSID6023602,KDYFGRWQOYBRFD-UHFFFAOYSA-L,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/p-2",[H]C([H])(C([O-])=O)C([H])([H])C([O-])=O
succitr_L,"N-succinyl-L-citrulline",C10H16N3O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
succoa,"Succinyl-CoA",C25H35N7O19P3S,-5,867.607,867.1312524,C00091,439161,15380,HMDB0001022,"succinyl-CoA",succoa,succoa,FDB022375,388307,"3-METHYLBENZYLSUCCINYL-COA",succoa,"Succinyl-CoA",,cpd00078,MNXM92,C00019546,5951,604-98-8,,VNOYUJKHFWYWIR-RJPVGMBJSA-I,"InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/p-5/t13-,18-,19-,20+,24-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
sucglu,"N2-Succinyl-L-glutamate",C9H10NO7,-3,0,0,,NaN,NaN,,"",,,,NaN,"",sucglu,"",,cpd03525,MNXM1757,,NaN,,,,"",
sucgsa,"N2-Succinyl-L-glutamate 5-semialdehyde",C9H11NO6,-2,0,0,,NaN,NaN,HMDB0001180,"",,,,NaN,"",sucgsa,"",,cpd03526,MNXM1763,,NaN,,,,"",
suchms,"O-Succinyl-L-homoserine",C8H12NO6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",suchms,"",,cpd00822,MNXM820,,NaN,,,,"",
sucorn,"N2-Succinyl-L-ornithine",C9H15N2O5,-1,0,0,,NaN,NaN,HMDB0001199,"",,,,NaN,"",sucorn,"",,cpd02160,MNXM1152,,NaN,,,,"",
sucr,"Sucrose",C12H22O11,0,342.2965,342.1162115,C00089,5988,17992,HMDB0000258,"",sucr,sucr,FDB001131,5768,"SUCROSE",sucr,"Sucrose",DB02772,cpd00076,MNXM167,C00001151,137,57-50-1,DTXSID2021288,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@](O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
sucsal,"Succinic acid semialdehyde",C4H5O3,-1,102.0886,102.0316941,C00232,1112,16265,HMDB0001259,"succinic semialdehyde",sucsal,sucsal,FDB022516,1080,"SUCC-S-ALD",sucsal,"Succinic semialdehyde",,cpd00199,MNXM172,C00019682,6114,692-29-5,DTXSID00219231,UIUJIQZEACWQSV-UHFFFAOYSA-M,"InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)/p-1",[H]C(=O)C([H])([H])C([H])([H])C([O-])=O
sulfac,"Sulfoacetate",C2H2O5S,-2,0,0,,NaN,NaN,,"",,,,NaN,"",sulfac,"",,cpd09878,MNXM1949,,NaN,,,,"",
sulpacmp,"Sulphate-Conjugate-Acetaminophen",C8H8NO5S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
T_antigen,"T-Antigen (Core 1)",C14H24NO10X,0,0,0,C04750,NaN,16117,,"",T_antigen,T_antigen,,NaN,"",T_antigen,"",,,MNXM3928,,NaN,,,,"",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(OC([H])([*])[C@]2([H])N([H])C(=O)C([H])([H])[H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
t2m26dcoa,"trans-2-Methyl-5-isopropylhexa-2,5-dienoyl-CoA",C31H46N7O17P3S,-4,917.752,917.2196734,C11945,53477851,NaN,HMDB0006530,"",,,FDB023961,NaN,"",t2m26dcoa,"",,,MNXM13082,,NaN,,,MPYXOYHSKAAPLW-AVJOVGNRSA-J,"InChI=1S/C31H50N7O17P3S/c1-17(2)18(3)7-8-19(4)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(5,6)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h8,15-17,20,23-25,29,40-41H,3,7,9-14H2,1-2,4-6H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b19-8+/t20-,23-,24-,25+,29-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(=C(/[H])C([H])([H])C(=C([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
t3c11vaceACP,"Trans-3-cis-11-vacceoyl-[acyl-carrier protein]",C29H51N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",t3c11vaceACP,"",,,MNXM5958,,NaN,,,,"",
t3c5ddeceACP,"Trans-3-cis-5-dodecenoyl-[acyl-carrier protein]",C23H39N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",t3c5ddeceACP,"",,,MNXM5959,,NaN,,,,"",
t3c7mrseACP,"Trans-3-cis-7-myristoleoyl-[acyl-carrier protein]",C25H43N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",t3c7mrseACP,"",,,MNXM5960,,NaN,,,,"",
t3c9palmeACP,"Trans-3-cis-9-palmitoleoyl-[acyl-carrier protein]",C27H47N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",t3c9palmeACP,"",,,MNXM5961,,NaN,,,,"",
T4hcinnm,"4-Hydroxycinnamic acid",C9H7O3,-1,164.158,164.0473441,C00811,637542,32374,HMDB0002035,"",T4hcinnm,T4hcinnm,FDB002593,553148,"COUMARATE",T4hcinnm,"hydroxycinnamic acid",DB04066,cpd00604,MNXM505,C00000152,6450,7400-08-0,DTXSID6064660,NGSWKAQJJWESNS-ZZXKWVIFSA-M,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/p-1/b6-3+",[H]OC1=C([H])C([H])=C(C([H])=C([H])C([O-])=O)C([H])=C1[H]
tacr,"Tacrolimus",C44H69NO12,0,804.0310059,803.4819767,DG00439,6473866,61049,HMDB15002,"",,,,4976056,"",,"Tacrolimus",DB00864,,,,NaN,104987-11-3,DTXSID5046354,QJJXYPPXXYFBGM-LFZNUXCKSA-N,"",
tag_hs,"Triglyceride",C3H5FULLRCO2FULLR2CO2FULLR3CO2,0,879.4050293,878.7363409,,NaN,NaN,,"",tag_hs,tag_hs,,NaN,"",tag_hs,"",,,MNXM9170,,NaN,537-40-6,DTXSID1042653,HBOQXIRUPVQLKX-BBWANDEASA-N,"",[H]C([H])(OC([*])=O)C([H])(OC([*])=O)C([H])([H])OC([*])=O
tag1p_D,"D-Tagatose 1-Phosphate",C6H11O9P,-2,0,0,,6101730,NaN,,"",tag1p_D,tag1p_D,,NaN,"",tag1p__D,"",,,MNXM11293,,NaN,,,ZKLLSNQJRLJIGT-LFRDXLMFSA-L,"InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/p-2/t3-,5+,6-/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(O[H])C(=O)C([H])([H])OP([O-])([O-])=O
tag6p_D,"D-Tagatose 6-phosphate",C6H11O9P,-2,0,0,,NaN,NaN,HMDB0006873,"",,,,NaN,"",tag6p__D,"",,cpd00805,MNXM795,,NaN,,,,"",
tagat_D,"D-Tagatose",C6H12O6,0,180.1559,180.0633881,C00795,92092,47693,HMDB0003418,"",tagat_D,tagat_D,FDB001109,83142,"TAGATOSE",tagat__D,"Tagatose",,cpd00589,MNXM92401,,NaN,87-81-0,DTXSID3047897,LKDRXBCSQODPBY-JMSAOHGTSA-N,"InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6?/m0/s1",[H]OC([H])([H])C1(O[H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]1([H])O[H]
tagdp_D,"D-Tagatose 1,6-biphosphate",C6H10O12P2,-4,0,0,,NaN,NaN,,"",,,,NaN,"",tagdp__D,"",,cpd02371,MNXM1324,,NaN,,,,"",
tagur,"D-Tagaturonate",C6H9O7,-1,0,0,,NaN,NaN,HMDB0011731,"",,,,NaN,"",tagur,"",,cpd00437,MNXM1423,,NaN,,,,"",
tartr_L,"L-tartrate",C4H4O6,-2,0,0,,NaN,NaN,,"",,,,NaN,"",tartr__L,"",,cpd00666,MNXM816,,NaN,,,,"",
tartr_M,"Meso-Tartrate",C4H4O6,-2,0,0,,NaN,NaN,,"",,,,NaN,"",tartr__M,"",,cpd00432,MNXM1031,,NaN,,,,"",
taur,"Taurine",C2H7NO3S,0,125.147,125.0146638,C00245,1123,15891,HMDB0000251,"",taur,taur,FDB003191,1091,"",taur,"Taurine",DB01956,cpd00210,MNXM282,C00048188,31,107-35-7,DTXSID3021304,XOAAWQZATWQOTB-UHFFFAOYSA-N,"InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)",[H][N+]([H])([H])C([H])([H])C([H])([H])S([O-])(=O)=O
tauribup_S,"Taurine Conjugate of S-Ibuprofen",C15H22NO4S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
taxol,"Paclitaxel",C47H31NO14,0,853.9061,853.3309553,C07394,36314,45863,HMDB0015360,"",,taxol,,10368587,"",taxol,"Paclitaxel",DB01229,,MNXM162590,C00002365,NaN,33069-62-4,DTXSID9023413,RCINICONZNJXQF-MZXODVADSA-N,"InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1",[H]O[C@@]([H])(C(=O)O[C@]1([H])C(=C2[C@@]([H])(OC(=O)C([H])([H])[H])C(=O)[C@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@@]4([H])OC([H])([H])[C@@]4(OC(=O)C([H])([H])[H])[C@@]3([H])[C@]([H])(OC(=O)C3=C([H])C([H])=C([H])C([H])=C3[H])[C@](O[H])(C1([H])[H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
tca3s,"Taurocholic acid 3-sulfate",C26H44NO10S2,-1,0,0,,NaN,NaN,,"",,tca3s,,NaN,"",,"",,,,,NaN,,,,"",
tcam,"Minor teichoic acid (acetylgalactosamine glucose phosphate, n=30)",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",tcam,"",,cpd11459,MNXM5305,,NaN,,,,"",
tcb,"1,2,3-Propanetricarboxylic acid",C6H5O6,-3,176.1241,176.032088,C19806,14925,45969,HMDB0031193,"",,,FDB003213,14220,"",tcb,"1,2,3-Propanetricarboxylic_acid",,cpd16654,MNXM4854,,NaN,99-14-9,DTXSID8059186,KQTIIICEAUMSDG-UHFFFAOYSA-N,"InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",
tcdca3s,"Taurochenodeoxycholic acid 3-sulfate",C26H44NO9S2,-1,0,0,,NaN,NaN,,"",,tcdca3s,,NaN,"",,"",,,,,NaN,,,,"",
tchola,"Taurocholic acid",C26H45NO7S,0,515.703,515.2916735,C05122,440567,28865,HMDB0000036,"",tchola,tchola,FDB012335,389467,"CPD-3743",tchola,"Taurocholate",,cpd03047,MNXM2288,,5104,81-24-3,DTXSID00883259,WBWWGRHZICKQGZ-DFXZFZLWSA-N,"InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16?,17-,18?,19?,20?,21-,22+,24?,25+,26-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])(C1([H])[H])C([H])([H])[C@@]([H])(O[H])C1([H])C3([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S(=O)(=O)O[H])[C@@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C21[H]
tcynt,"Thiocyanate",CNS,-1,58.082,57.9751447,C01755,9322,18022,HMDB0001453,"",tcynt,tcynt,FDB013883,8961,"HSCN",tcynt,"Thiocyanate",,cpd01211,MNXM762,,NaN,302-04-5,DTXSID7047221,ZMZDMBWJUHKJPS-UHFFFAOYSA-M,"InChI=1S/CHNS/c2-1-3/h3H/p-1",[S-]C#N
td2coa,"Trans-Tetradec-2-enoyl-CoA",C35H56N7O17P3S,-4,0,0,,NaN,NaN,,"",,,,NaN,"",td2coa,"",,cpd03127,MNXM654,,NaN,,,,"",
td2glutrcoa,"Trans-Delta-2-Glutaryl Coenzyme A",C26H35N7O19P3S,-5,0,0,,NaN,NaN,,"",,td2glutrcoa,,NaN,"",,"",,,,,NaN,,,URTLOTISFJPPOU-HWKANZROSA-I,"InChI=1S/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h3,5,12-14,19-21,25,38-39H,4,6-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/p-5/b5-3+",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([O-])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
tdca3s,"Taurodeoxycholic acid 3-sulfate",C26H43NO9S2,-2,0,0,,NaN,NaN,,"",,tdca3s,,NaN,"",,"",,,,,NaN,,,,"",
tdchola,"Taurochenodesoxycholic acid",C26H45NO6S,0,499.704,499.2967589,C05465,387316,16525,HMDB0000951,"",tdchola,tdchola,FDB022335,343282,"CHENODEOXYCHOLOYLTAURINE",tdchola,"Taurochenodeoxycholic_acid",,cpd03246,MNXM1779,,5897,516-35-8,,BHTRKEVKTKCXOH-QPRHXUMOSA-N,"InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17?,18-,19?,20?,21?,22-,24?,25+,26-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])(C1([H])[H])C([H])([H])[C@@]([H])(O[H])C1([H])C3([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S(=O)(=O)O[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])C21[H]
tdcoa,"Tetradecanoyl-CoA",C35H58N7O17P3S,-4,977.89,977.3135738,C02593,65113,15532,HMDB0001521,"myristoyl-CoA",tdcoa,tdcoa,FDB022670,58623,"TETRADECANOYL-COA",tdcoa,"",,cpd01695,MNXM224,,3707,3130-72-1,,DUAFKXOFBZQTQE-IXZUJZTPSA-J,"InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/t24-,28-,29-,30+,34-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
tddec2eACP,"Trans-Dodec-2-enoyl-[acyl-carrier protein]",C23H41N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",tddec2eACP,"",,,MNXM23842,,NaN,,,,"",
tddedi2coa,"Trans2,6Dodecadienoyl Coenzyme A",C33H50N7O17P3S,-4,0,0,,NaN,NaN,,"",tddedi2coa,tddedi2coa,,NaN,"",,"",,,,,NaN,,,BNPQDIKRZDRREL-ASTVXOCUSA-J,"InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,12-13,20-22,26-28,32,43-44H,4-7,10-11,14-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b9-8+,13-12+/t22-,26-,27-,28+,32-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
tddedicoa,"Trans3,6Dodecadienoyl Coenzyme A",C33H50N7O17P3S,-4,0,0,,5280771,NaN,,"",tddedicoa,tddedicoa,,NaN,"",,"",,,,,NaN,,,KEPSPLQXVPROMK-ASJCJLDXSA-J,"InChI=1S/C33H54N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h8-9,11-12,20-22,26-28,32,43-44H,4-7,10,13-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/p-4/b9-8-,12-11-/t22-,26-,27-,28+,32-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
tdeACP,"Cis-Tetradec-7-Enoyl-[Acyl-Carrier Protein] (N-C14:1)",C25H45N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",tdeACP,"",,cpd15294,MNXM162426,,NaN,,,,"",
tdec2eACP,"Trans-Dec-2-enoyl-[acyl-carrier protein]",C21H37N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",tdec2eACP,"",,,MNXM28221,,NaN,,,,"",
tdec4ecoa,"Trans4Decenoyl Coenzyme A",C31H48N7O17P3S,-4,0,0,,NaN,NaN,,"",tdec4ecoa,tdec4ecoa,,NaN,"",,"",,,,,NaN,,,QTOYQSMKQWCWOX-SGUJYKCESA-J,"InChI=1S/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-9,18-20,24-26,30,41-42H,4-7,10-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b9-8-/t20-,24-,25-,26+,30-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
tdechola,"Taurodeoxycholic acid",C26H44NO6S,-1,499.704,499.2967589,C05463,2733768,9410,HMDB0000896,"",tdechola,tdechola,FDB022304,2015539,"",tdechola,"",,cpd03244,MNXM9132,,5853,516-50-7,DTXSID00873418,AWDRATDZQPNJFN-VAYUFCLWSA-M,"InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S([O-])(=O)=O)[C@@]4(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]23[H])C1([H])[H]
teich_45_BS,"Teichuronic acid (GlcA + GalNac, 45 repeating unit)",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",teich_45_BS,"",,cpd15634,MNXM169210,,NaN,,,,"",
Temp001,"Biomass",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
tet,"Tetrathionate",O6S4,-2,0,0,,NaN,NaN,,"",,,,NaN,"",tet,"",,,MNXM1781,,NaN,,,,"",
tetd7ecoa,"7-Tetradecenoyl Coenzyme A",C35H56N7O17P3S,-4,0,0,,NaN,NaN,,"",tetd7ecoa,tetd7ecoa,,NaN,"",,"",,,,,NaN,,,JPIHVKICKVPFFY-TWAFKMGKSA-J,"InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h9-10,22-24,28-30,34,45-46H,4-8,11-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b10-9-/t24-,28-,29-,30+,34-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
tetde5coa,"5-Tetradecenoyl Coenzyme A",C35H56N7O17P3S,-4,0,0,,NaN,NaN,,"",tetde5coa,tetde5coa,,NaN,"",,"",,,,,NaN,,,MRVDZOHJMLTLHJ-QSGBVPJFSA-J,"InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h11-12,22-24,28-30,34,45-46H,4-10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/t24-,28-,29-,30+,34-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
tetdec2coa,"Tetradecadienoyl Coenzyme A",C35H54N7O17P3S,-4,0,0,,NaN,NaN,,"",,tetdec2coa,,NaN,"",,"",,,,,NaN,,,,"",
tetdec2crn,"Tetradecadienoyl Carnitine",C21H37NO4,0,0,0,,NaN,NaN,,"",,tetdec2crn,,NaN,"",,"",,,,,NaN,,,IXOHTRSFILEKHO-FSALDASDSA-N,"InChI=1S/C21H37NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-15,19H,5-11,16-18H2,1-4H3/b13-12-,15-14+",[H]\C(\C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=C(\[H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
tetdeca511ac,"Cia-5,8, Tetradecadienoic Acid",C14H23O2,-1,0,0,,NaN,NaN,,"",,tetdeca511ac,,NaN,"",,"",,,,,NaN,,,HXHZGHRLVRFQDR-AVQMFFATSA-M,"InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,15,16)/p-1/b7-6+,10-9+",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
tetdecaeth,"C14:0-Ethanolamide, Tetradecanoyl Ethanolamide",C16H33NO2,0,0,0,,NaN,NaN,,"",,tetdecaeth,,NaN,"",,"",,,,,NaN,,,JHIXEZNTXMFXEK-UHFFFAOYSA-N,"InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)17-14-15-18/h18H,2-15H2,1H3,(H,17,19)",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
tetdecdicoa,"5,8-Tetradecadienoyl Coenzyme A",C35H54N7O17P3S,-4,0,0,,21252281,NaN,,"",tetdecdicoa,tetdecdicoa,,NaN,"",,"",,,,,NaN,,,MJBZUCVXTFUVFY-MURFETPASA-J,"InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-12,22-24,28-30,34,45-46H,4-7,10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b9-8-,12-11-",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
tetdece1coa,"(2E)-Tetradecenoyl-CoA",C35H56N7O17P3S,-4,975.874,975.2979238,C05273,5280767,27721,HMDB0003946,"",,tetdece1coa,FDB023265,4444333,"",tetdece1coa,"",,cpd15295,MNXM165172,,NaN,38795-33-4,DTXSID30331511,MBCVYCOKMMMWLX-IKUURZALSA-N,"InChI=1S/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h14-15,22-24,28-30,34,45-46H,4-13,16-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b15-14+/t24-,28-,29-,30?,34-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
tetdece1crn,"Tetradecenoyl Carnitine",C21H39NO4,0,0,0,,22833575,NaN,,"",,tetdece1crn,,NaN,"",,"",,,,,NaN,,,NNCBVXBBLABOCB-SEYXRHQNSA-N,"InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-13,19H,5-11,14-18H2,1-4H3/b13-12-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
tethex3,"6,9,12,15,18,21-Tetracosahexaenoic acid",C24H35O2,-1,355.5335,355.2637054,,53481586,NaN,HMDB0013025,"",tethex3,tethex3,FDB029253,NaN,"",tethex3,"",,,MNXM12996,,NaN,,,YHGJECVSSKXFCJ-PCZFSEFKSA-M,"InChI=1S/C24H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23H2,1H3,(H,25,26)/p-1/b4-3-,7-6?,10-9?,13-12-,16-15?,19-18-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
tethex3coa,"Tetracosahexaenoyl CoA",C45H66N7O17P3S,-4,1106.06,1105.376174,C16168,53477806,NaN,HMDB0006243,"",tethex3coa,tethex3coa,FDB023856,NaN,"",tethex3coa,"",,,MNXM6449,,NaN,,,KRIFZIRXAAITHR-KWFBMMABSA-J,"InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40+,44-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
tetpent3,"9Z,12Z,15Z,18Z,21Z-Tetracosapentaenoic Acid",C24H37O2,-1,0,0,,52921801,NaN,,"",tetpent3,tetpent3,,NaN,"",tetpent3,"",,,MNXM12997,,NaN,,,NPTIBOCVSPURCS-JLNKQSITSA-M,"InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-23H2,1H3,(H,25,26)/p-1/b4-3-,7-6-,10-9-,13-12-,16-15-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
tetpent3coa,"(9Z,12Z,15Z,18Z,21Z)-Tetracosapentaenoyl Coenzyme A",C45H68N7O17P3S,-4,0,0,C16167,23724644,63543,,"",tetpent3coa,tetpent3coa,,NaN,"",tetpent3coa,"",,,MNXM5306,,NaN,,,BNAMTMVBOVNNSH-IXEGOOPNSA-J,"InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4,7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b6-5?,9-8-,12-11-,15-14-,18-17-/t34-,38-,39-,40+,44-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
tetpent3crn,"9Z,12Z,15Z,18Z,21Z-Tetracosapentaenoylcarnitine",C31H51NO4,0,0,0,,NaN,NaN,,"",tetpent3crn,tetpent3crn,,NaN,"",tetpent3crn,"",,,MNXM9139,,NaN,,,AQYQJMYFFSCGBI-UHFFFAOYSA-N,"InChI=1S/C31H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h6-7,9-10,12-13,15-16,18-19,29H,5,8,11,14,17,20-28H2,1-4H3",[H]C(=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H]
tetpent6,"6Z,9Z,12Z,15Z,18Z-Tetracosapentaenoic Acid",C24H37O2,-1,0,0,,14505435,NaN,,"",tetpent6,tetpent6,,NaN,"",tetpent6,"",,,MNXM12998,,NaN,,,VENRYLMOFDSSDJ-RIOSQWMDSA-M,"InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-23H2,1H3,(H,25,26)/p-1/b7-6?,10-9?,13-12-,16-15?,19-18-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
tetpent6coa,"Tetracosapentaenoyl coenzyme A, n-6",C45H68N7O17P3S,-4,1108.076,1107.391824,C16172,23724649,NaN,HMDB0060225,"",tetpent6coa,tetpent6coa,,NaN,"",tetpent6coa,"",,,MNXM5944,,NaN,,,XZYNVQDKYRHKFG-QOJZHLSOSA-J,"InChI=1S/C45H72N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4-7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40+,44-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
tetpent6crn,"6Z,9Z,12Z,15Z,18Z-Tetracosapentaenoylcarnitine",C31H51NO4,0,0,0,,NaN,NaN,,"",tetpent6crn,tetpent6crn,,NaN,"",tetpent6crn,"",,,MNXM9140,,NaN,,,STKKPHPBAFXMLG-UHFFFAOYSA-N,"InChI=1S/C31H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h9-10,12-13,15-16,18-19,21-22,29H,5-8,11,14,17,20,23-28H2,1-4H3",[H]C(=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
tettet6,"9Z,12Z,15Z,18Z-Tetracosatetraenoic Acid",C24H39O2,-1,0,0,,152972,NaN,,"",tettet6,tettet6,,NaN,"",tettet6,"",,,MNXM12999,,NaN,,,RZHACVKGHNMWOP-ZWZRQGCWSA-M,"InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h16-23H,2-15H2,1H3,(H,25,26)/p-1/b17-16+,19-18+,21-20+,23-22+",[H]\C(\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=C(\[H])/C(/[H])=C(\[H])C([O-])=O
tettet6coa,"Tetracosatetraenoyl CoA",C45H70N7O17P3S,-4,0,0,C16171,53477846,NaN,HMDB0006516,"",tettet6coa,tettet6coa,FDB023954,NaN,"",tettet6coa,"",,,MNXM5945,,NaN,,,OKOXEYTYHDPTEW-NWVLGCTBSA-J,"InChI=1S/C45H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,32-34,38-40,44,55-56H,4-7,10,13,16,19-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b9-8-,12-11?,15-14-,18-17-/t34-,38-,39-,40+,44-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
tettet6crn,"9Z,12Z,15Z,18Z-Tetracosatetraenoylcarnitine",C31H53NO4,0,0,0,,NaN,NaN,,"",tettet6crn,tettet6crn,,NaN,"",tettet6crn,"",,,MNXM9141,,NaN,,,OVCKQONNZPULLZ-LJAQVGFWSA-N,"InChI=1S/C31H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h9-10,12-13,15-16,18-19,29H,5-8,11,14,17,20-28H2,1-4H3/t29-/m0/s1",[H]C(=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
thbpt,"Tetrahydrobiopterin",C9H15N5O3,0,241.2471,241.1174894,C00272,1125,15372,HMDB0000027,"",thbpt,thbpt,FDB021880,1093,"TETRA-H-BIOPTERIN",thbpt,"Tetrahydrobiopterin",DB00360,cpd00233,MNXM89658,C00018229,5098,17528-72-2,DTXSID80872469,FNKQXYHWGSIFBK-UHFFFAOYSA-N,"InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)",[H]OC([H])(C([H])([H])[H])C([H])(O[H])C1([H])N([H])C2=C(N=C(N([H])[H])N([H])C2=O)N([H])C1([H])[H]
thbpt4acam,"4a-Hydroxytetrahydrobiopterin",C9H15N5O4,0,257.2465,257.112404,C15522,129803,15374,HMDB0002281,"4a-hydroxytetrahydrobiopterin",thbpt4acam,thbpt4acam,FDB022944,114908,"",thbpt4acam,"",,cpd03897,MNXM97271,,6591,70110-58-6,,KJKIEFUPAPPGBC-UHFFFAOYSA-N,"InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)",[H]OC([H])(C([H])([H])[H])C([H])(O[H])C1([H])N([H])C2(O[H])C(=O)N=C(N=C2N([H])C1([H])[H])N([H])[H]
thcholoylcoa,"3a,7a,12a-Trihydroxy-5b-cholestanoyl-CoA",C48H76N7O20P3S,-4,1200.17,1199.439168,C05448,15942872,15493,HMDB0002178,"",thcholoylcoa,thcholoylcoa,FDB022888,13085527,"",thcholoylcoa,"A",,,MNXM165175,,6529,57458-60-3,,SZBMUAIJWNJARR-LUAYSRQUSA-J,"InChI=1S/C48H80N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/p-4/t25-,26?,27+,28-,29-,30+,31+,32?,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])(O[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
thcholst,"3Alpha,7Alpha,12Alpha-Trihydroxy-5Beta-Cholestan-26-Al",C27H46O4,0,0,0,C01301,439479,48940,,"",thcholst,thcholst,,NaN,"",thcholst,"",,,MNXM163900,,57926,,,USFJGINJGUIFSY-XZULNKEGSA-N,"InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C1([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])=O)C([H])([H])[H])[C@@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]21[H]
thcholstoic,"3a,7a,12a-Trihydroxy-5b-cholestanoic acid",C27H45O5,-1,450.6511,450.3345246,C04722,23657849,48043,HMDB0003873,"",thcholstoic,thcholstoic,FDB023241,21865494,"CPD-1836",thcholstoic,"",,,MNXM162717,,6986,33964-75-9,,CNWPIIOQKZNXBB-WBYPBBSPSA-M,"InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/p-1/t15-,16-,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C1([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([O-])=O)C([H])([H])[H])[C@@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]21[H]
thcrm_hs,"Trihexosylceramide (d18:1/12:0)",C36H66NO17FULLRCO,0,968.2162,967.607965,C04737,53477785,NaN,HMDB0004877,"",thcrm_hs,thcrm_hs,FDB023470,NaN,"D-GALACTOSYL-14-D-GALACTOSYL-14-D-",thcrm_hs,"",,,MNXM91318,,7134,71965-57-6,,HJVQASFQICDJJP-GJXDXCKOSA-N,"",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)[C@]([H])(O[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
thcys,"Thiocysteine",C3H7NO2S2,0,153.223,152.9918199,C01962,439614,28839,HMDB0003585,"",thcys,,FDB023203,NaN,"THIOCYSTEINE",thcys,"",,,MNXM3840,,NaN,5652-32-4,DTXSID00205073,XBKONSCREBSMCS-REOHCLBHSA-N,"InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",[H]SSC([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
thdp,"2,3,4,5-Tetrahydrodipicolinate",C7H7NO4,-2,0,0,,NaN,NaN,HMDB0012289,"",,,,NaN,"",thdp,"",,cpd02465,MNXM480,,NaN,,,,"",
thex2eACP,"Trans-Hex-2-enoyl-[acyl-carrier protein]",C17H29N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",thex2eACP,"",,,MNXM24502,,NaN,,,,"",
thexdd,"7Z,10Z-Hexadecadienoic Acid",C16H27O2,-1,0,0,,NaN,NaN,,"",,thexdd,,NaN,"",,"",,,,,NaN,,,WPJGPAAPSBVXNU-HZJYTTRNSA-M,"InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,9-10H,2-5,8,11-15H2,1H3,(H,17,18)/p-1/b7-6-,10-9-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
thexddcoa,"Trans7,10-Hexadecadienoyl Coenzyme A",C37H58N7O17P3S,-4,0,0,,NaN,NaN,,"",thexddcoa,thexddcoa,,NaN,"",,"",,,,,NaN,,,OKKMIEAMIHILAM-BBQXBXLMSA-J,"InChI=1S/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h8-9,11-12,24-26,30-32,36,47-48H,4-7,10,13-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/b9-8-,12-11-/t26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
thf,"Tetrahydrofolic acid",C19H21N7O6,-2,445.4292,445.1709815,C00101,91443,20506,HMDB0001846,"",thf,thf,FDB022705,82572,"THF",thf,"Tetrahydrofolic_acid",DB00116,cpd00087,MNXM79,C00007249,714,135-16-0,,MSTNYGQPCMXVAQ-UHFFFAOYSA-L,"InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/p-2",[H]OC1=NC(=NC2=C1N([H])C([H])(C([H])([H])N([H])C1=C([H])C([H])=C(C([H])=C1[H])C(=O)N([H])C([H])(C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])N2[H])N([H])[H]
thfglu,"Tetrahydrofolyl-[Glu](2)",C24H27N8O9,-3,0,0,,NaN,NaN,HMDB0006825,"",,,,NaN,"",thfglu,"",,cpd06227,MNXM91741,,NaN,,,,"",
thglu,"Tetrahydropteroyltri_L_glutamate",C24H32N8O12,0,0,0,,NaN,NaN,,"",,,,NaN,"",thglu,"",,cpd02555,MNXM2563,,NaN,,,,"",
thm,"Thiamine",C12H17N4OS,1,265.355,265.1123069,C00378,1130,18385,HMDB0000235,"",thm,thm,FDB008425,1098,"THIAMINE",thm,"Thiamine",DB00152,cpd00305,MNXM322,C00000775,5242,59-43-8,DTXSID2023648,JZRWCGZRTZMZEH-UHFFFAOYSA-N,"InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1",[H]OC([H])([H])C([H])([H])C1=C([N+](=C([H])S1)C([H])([H])C1=C([H])N=C(N=C1N([H])[H])C([H])([H])[H])C([H])([H])[H]
thmmp,"Thiamine monophosphate",C12H16N4O4PS,-1,344.327,344.0708123,C01081,3382778,37574,HMDB0002666,"",thmmp,thmmp,FDB023043,2627905,"THIAMINE-P",thmmp,"Thiamine monophosphate",,cpd00793,MNXM662,,3488,495-23-8,,HZSAJDVWZRBGIF-UHFFFAOYSA-M,"InChI=1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p-1",[H]N([H])C1=C(C([H])=NC(=N1)C([H])([H])[H])C([H])([H])[N+]1=C([H])SC(=C1C([H])([H])[H])C([H])([H])C([H])([H])OP([O-])([O-])=O
thmpp,"Thiamine pyrophosphate",C12H16N4O7P2S,-2,425.314,425.0449677,C00068,1132,9532,HMDB0001372,"thiamine(1+) diphosphate",thmpp,thmpp,FDB022584,1100,"2-(alpha-lactyl)-thpp",thmpp,"Thiamine pyrophosphate",,cpd00056,MNXM256,C00019627,2832,154-87-0,DTXSID6046262,AYEKOFBPNLCAJY-UHFFFAOYSA-L,"InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p-2",[H]N([H])C1=C(C([H])=NC(=N1)C([H])([H])[H])C([H])([H])[N+]1=C([H])SC(=C1C([H])([H])[H])C([H])([H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O
thmtp,"Thiamine triphosphate",C12H16N4O10P3S,-3,505.294,505.0112981,C03028,511,9534,HMDB0001512,"",thmtp,thmtp,FDB022666,496,"CPD-611",thmtp,"Thiamine triphosphate",,,MNXM1341,,3586,3475-65-8,,IWLROWZYZPNOFC-UHFFFAOYSA-K,"InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p-3",[H]N([H])C1=C(C([H])=NC(=N1)C([H])([H])[H])C([H])([H])[N+]1=C([H])SC(=C1C([H])([H])[H])C([H])([H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O
thp2c,"(S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate",C6H8NO2,-1,127.1412,127.0633285,,165067,49015,HMDB0012130,"",thp2c,thp2c,FDB028794,144715,"",thp2c,"",,cpd00352,MNXM162886,,NaN,,,CSDPVAKVEWETFG-UHFFFAOYSA-M,"InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)/p-1",[H]C1=NC([H])(C([O-])=O)C([H])([H])C([H])([H])C1([H])[H]
thr_L,"L-Threonine",C4H9NO3,0,119.1192,119.0582432,C00188,6288,16857,HMDB0000167,"",thr_L,thr_L,FDB011999,6051,"THR",thr__L,"L-Threonine",,cpd00161,MNXM142,C00001394,32,72-19-5,DTXSID4051908,AYFVYJQAPQTCCC-GBXIJSLDSA-N,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1",[H]O[C@]([H])(C([H])([H])[H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
thrargtyr,"Threonyl-Arginyl-Tyrosine",C19H31N6O6,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UNURFMVMXLENAZ-PUPMMZHASA-O,"InChI=1S/C19H30N6O6/c1-10(26)15(20)17(29)24-13(3-2-8-23-19(21)22)16(28)25-14(18(30)31)9-11-4-6-12(27)7-5-11/h4-7,10,13-15,26-27H,2-3,8-9,20H2,1H3,(H,24,29)(H,25,28)(H,30,31)(H4,21,22,23)/p+1/t10-,13+,14-,15-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
thrasntyr,"Threonyl-Asparaginyl-Tyrosine",C17H24N4O7,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JVTHIXKSVYEWNI-PRAYIBQGSA-N,"InChI=1S/C17H24N4O7/c1-8(22)14(19)16(26)20-11(7-13(18)24)15(25)21-12(17(27)28)6-9-2-4-10(23)5-3-9/h2-5,8,11-12,14,22-23H,6-7,19H2,1H3,(H2,18,24)(H,20,26)(H,21,25)(H,27,28)/t8-,11+,12-,14-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
thrfvs,"threo-isomer of fluvastain",C24H25FNNaO4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
thrglnglu,"Threonyl-Glutaminyl-Glutamate",C14H23N4O8,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VUVCRYXYUUPGSB-PJFCORBGSA-M,"InChI=1S/C14H24N4O8/c1-6(19)11(16)13(24)17-7(2-4-9(15)20)12(23)18-8(14(25)26)3-5-10(21)22/h6-8,11,19H,2-5,16H2,1H3,(H2,15,20)(H,17,24)(H,18,23)(H,21,22)(H,25,26)/p-1/t6-,7+,8-,11-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([O-])=O
thrglntyr,"Threonyl-Glutaminyl-Tyrosine",C18H26N4O7,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,RCEHMXVEMNXRIW-AETLKFDBSA-N,"InChI=1S/C18H26N4O7/c1-9(23)15(20)17(27)21-12(6-7-14(19)25)16(26)22-13(18(28)29)8-10-2-4-11(24)5-3-10/h2-5,9,12-13,15,23-24H,6-8,20H2,1H3,(H2,19,25)(H,21,27)(H,22,26)(H,28,29)/t9-,12+,13-,15-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
thrhishis,"Threonyl-Histidinyl-Histidine",C16H23N7O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XSTGOZBBXFKGHA-MHNYQROPSA-N,"InChI=1S/C16H23N7O5/c1-8(24)13(17)15(26)22-11(2-9-4-18-6-20-9)14(25)23-12(16(27)28)3-10-5-19-7-21-10/h4-8,11-13,24H,2-3,17H2,1H3,(H,18,20)(H,19,21)(H,22,26)(H,23,25)(H,27,28)/t8-,11+,12-,13-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C1=C([H])N([H])C([H])=N1
thrilearg,"Threonyl-Isoleucyl-Arginine",C16H33N6O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WPAKPLPGQNUXGN-HHLGRRPGSA-O,"InChI=1S/C16H32N6O5/c1-4-8(2)12(22-13(24)11(17)9(3)23)14(25)21-10(15(26)27)6-5-7-20-16(18)19/h8-12,23H,4-7,17H2,1-3H3,(H,21,25)(H,22,24)(H,26,27)(H4,18,19,20)/p+1/t8?,9-,10-,11-,12+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
thrmetarg,"Threonyl-Methionyl-Arginine",C15H31N6O5S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OHDXOXIZXSFCDN-VLEAKVRGSA-O,"InChI=1S/C15H30N6O5S/c1-8(22)11(16)13(24)20-9(5-7-27-2)12(23)21-10(14(25)26)4-3-6-19-15(17)18/h8-11,22H,3-7,16H2,1-2H3,(H,20,24)(H,21,23)(H,25,26)(H4,17,18,19)/p+1/t8-,9+,10-,11-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
thrnt,"Threonic acid",C4H7O5,-1,136.1033,136.0371734,C01620,151152,49059,HMDB0000943,"",thrnt,thrnt,FDB022331,133224,"",thrnt,"",,,MNXM18958,,5891,,,JPIJQSOTBSSVTP-STHAYSLISA-M,"InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/p-1/t2-,3+/m0/s1",[H]OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([O-])=O
thrp,"L-Threonine O-3-phosphate",C4H8NO6P,-2,0,0,,NaN,NaN,HMDB0011185,"",,,,NaN,"",thrp,"",,cpd08928,MNXM1492,,NaN,,,,"",
thrphearg,"Threonyl-Phenylalanyl-Arginine",C19H31N6O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WRQLCVIALDUQEQ-MHEUCROKSA-O,"InChI=1S/C19H30N6O5/c1-11(26)15(20)17(28)25-14(10-12-6-3-2-4-7-12)16(27)24-13(18(29)30)8-5-9-23-19(21)22/h2-4,6-7,11,13-15,26H,5,8-10,20H2,1H3,(H,24,27)(H,25,28)(H,29,30)(H4,21,22,23)/p+1/t11-,13-,14+,15-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
thrserarg,"Threonyl-Seryl-Arginine",C13H27N6O6,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PRTHQBSMXILLPC-MAUMQABQSA-O,"InChI=1S/C13H26N6O6/c1-6(21)9(14)11(23)19-8(5-20)10(22)18-7(12(24)25)3-2-4-17-13(15)16/h6-9,20-21H,2-5,14H2,1H3,(H,18,22)(H,19,23)(H,24,25)(H4,15,16,17)/p+1/t6-,7-,8+,9-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
thrthrarg,"Threonyl-Threonyl-Arginine",C14H29N6O6,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,QYDKSNXSBXZPFK-BQHMLIOBSA-O,"InChI=1S/C14H28N6O6/c1-6(21)9(15)11(23)20-10(7(2)22)12(24)19-8(13(25)26)4-3-5-18-14(16)17/h6-10,21-22H,3-5,15H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)(H4,16,17,18)/p+1/t6-,7-,8-,9-,10+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])[C@]([H])(O[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
thrtyrmet,"Threonyl-Tyrosyl-Methionine",C18H27N3O6S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VMSSYINFMOFLJM-HPEDKQMDSA-N,"InChI=1S/C18H27N3O6S/c1-10(22)15(19)17(25)21-14(9-11-3-5-12(23)6-4-11)16(24)20-13(18(26)27)7-8-28-2/h3-6,10,13-15,22-23H,7-9,19H2,1-2H3,(H,20,24)(H,21,25)(H,26,27)/t10-,13-,14+,15-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])SC([H])([H])[H]
thsacmp,"Thiomethyl-Sulphoxide-Conjugate-Acetaminophen",C9H11NO3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
thym,"Thymine",C5H6N2O2,0,126.1133,126.0429274,C00178,1135,17821,HMDB0000262,"",thym,thym,FDB021922,1103,"THYMINE",thym,"Thymine",,cpd00151,MNXM386,C00001511,290,65-71-4,DTXSID4052342,RWQNBRDOKXIBIV-UHFFFAOYSA-N,"InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)",[H]N1C([H])=C(C(=O)N([H])C1=O)C([H])([H])[H]
thymd,"Thymidine",C10H14N2O5,0,242.2286,242.0902716,C00214,5789,17748,HMDB0000273,"",thymd,thymd,FDB012757,5585,"THYMIDINE",thymd,"Thymidine",DB04485,cpd00184,MNXM420,C00019698,3375,50-89-5,DTXSID5023661,IQFYYKKMVGJFEH-XLPZGREQSA-N,"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C(C(=O)N([H])C2=O)C([H])([H])[H])C([H])([H])[C@]1([H])O[H]
thyochol,"Taurohyocholate",C26H44NO7S,-1,515.703,515.2916735,C15516,NaN,NaN,HMDB0011637,"",,thyochol,FDB028335,NaN,"CPD-7282",,"",,,,,NaN,117997-17-8,,XSOLDPYUICCHJX-DMWZFLOVSA-N,"InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17-,18+,19+,20+,22+,23-,24+,25-,26-/m0/s1",
thyox_L,"Thyroxine",C15H11I4NO4,0,776.87,776.6866815,C01829,5819,18332,HMDB0000248,"",thyox_L,thyox_L,FDB021829,5614,"L-THYROXINE",thyox__L,"Thyroxine",DB00451,,MNXM162591,,439,51-48-9,DTXSID8023214,XUIIKFGFIJCVMT-LBPRGKRZSA-N,"InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1",[H]OC1=C(I)C([H])=C(OC2=C(I)C([H])=C(C([H])=C2I)C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C([H])=C1I
tiggly,"Tiglyl Glycine",C7H10NO3,-1,0,0,,NaN,NaN,,"",,tiggly,,NaN,"",,"",,,,,NaN,,,WRUSVQOKJIDBLP-HWKANZROSA-M,"InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/p-1/b5-3+",[H]N(C(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])C([H])([H])C([O-])=O
tlacfvs,"Trans-Lactone-Fluvastatin",C24H23FNNaO3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
tma,"Trimethylamine",C3H10N,1,0,0,C00565,1146,18139,HMDB0000906,"",,,,1114,"",tma,"Trimethylamine",,cpd00441,MNXM352,C00001433,3772,75-50-3,,,"",
tmacmp,"Thiomethyl-Conjugate-Acetaminophen",C9H11NO2S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
tmao,"Trimethylamine N-oxide",C3H9NO,0,0,0,C01104,1145,15724,HMDB0000925,"",,,,1113,"",tmao,"Trimethylamine_N-oxide",,cpd00811,MNXM437,,3773,62637-93-8,,,"",
tmd,"Torasemide",C16H19N4O3S,-1,348.4200134,348.1256117,D00382,41781,9637,HMDB0014359,"",,,,38123,"",,"Torasemide",DB00214,,,,NaN,56211-40-6,DTXSID2023690,NGBFQHCMQULJNZ-UHFFFAOYSA-N,"",
tmdm1,"Torasemide-M1",C16H19N4O4S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
tmdm3,"Torasemide-M3",C16H19N4O4S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
tmdm5,"Torasemide-M5",C16H16N4O5S,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
tmlys,"N6,N6,N6-Trimethyl-L-lysine",C9H20N2O2,0,188.2673,188.1524779,C03793,440120,17311,HMDB0001325,"",tmlys,tmlys,FDB022556,389120,"N6N6N6-TRIMETHYL-L-LYSINE",tmlys,"",,,MNXM1486,,6161,19253-88-4,,MXNRLFUSFKVQSK-QMMMGPOBSA-N,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/t8-/m0/s1",[H]N([H])[C@]([H])(C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
tmndnc,"Eicosapentaenoic acid",C20H29O2,-1,302.451,302.2245802,C06428,446284,28364,HMDB0001999,"",tmndnc,tmndnc,FDB003102,393682,"CPD-6941",tmndnc,"Eicosapentaenoic acid",DB00159,cpd03851,MNXM13045,C00000408,6423,10417-94-4,DTXSID9041023,JAZBEHYOTPTENJ-JLNKQSITSA-M,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/p-1/b4-3-,7-6-,10-9-,13-12-,16-15-",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
tmndnccoa,"(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA",C41H60N7O17P3S,-4,1051.97,1051.329224,C16165,56927904,63539,HMDB0060311,"",tmndnccoa,tmndnccoa,,26606353,"",tmndnccoa,"",,,MNXM2869,,NaN,,,JWZLRYCDDXHXDL-BCYDWBPESA-J,"InChI=1S/C41H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,14-15,17-18,28-30,34-36,40,51-52H,4,7,10,13,16,19-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t30-,34?,35+,36+,40-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])C([H])(O[H])[C@@]1([H])OP([O-])([O-])=O
tmndnccrn,"5Z,8Z,11Z,14Z,17Z-Eicosapentaenoylcarnitine",C27H43NO4,0,0,0,,NaN,NaN,,"",tmndnccrn,tmndnccrn,,NaN,"",tmndnccrn,"",,,MNXM9158,,NaN,,,USUPQTJPNBGUSJ-OYKLNVEQSA-N,"InChI=1S/C27H43NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h6-7,9-10,12-13,15-16,18-19,25H,5,8,11,14,17,20-24H2,1-4H3/b7-6?,10-9-,13-12-,16-15?,19-18?/t25-/m1/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])[H]
tmrs2eACP,"Trans-Tetradec-2-enoyl-[acyl-carrier protein]",C25H45N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",tmrs2eACP,"",,cpd11467,MNXM24297,,NaN,,,,"",
tmtrdcoa,"4,8,12-Trimethyltridecanoyl-CoA",C37H62N7O17P3S,-4,1005.943,1005.344874,C07296,11966114,15495,HMDB0060167,"",tmtrdcoa,tmtrdcoa,,10140108,"",,"",,,,,NaN,,,ZYUOZFCHODHLHG-LEJRVOBCSA-J,"InChI=1S/C37H66N7O17P3S/c1-23(2)9-7-10-24(3)11-8-12-25(4)13-14-28(46)65-18-17-39-27(45)15-16-40-35(49)32(48)37(5,6)20-58-64(55,56)61-63(53,54)57-19-26-31(60-62(50,51)52)30(47)36(59-26)44-22-43-29-33(38)41-21-42-34(29)44/h21-26,30-32,36,47-48H,7-20H2,1-6H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/p-4/t24?,25?,26-,30-,31-,32+,36-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
tmuncoa,"2,6,10-Trimethyl Undecanoyl Coenzyme A",C35H58N7O17P3S,-4,0,0,,NaN,NaN,,"",tmuncoa,tmuncoa,,NaN,"",,"",,,,,NaN,,,QCNISQOYPUIJJO-OOHGGQFJSA-J,"InChI=1S/C35H62N7O17P3S/c1-21(2)9-7-10-22(3)11-8-12-23(4)34(47)63-16-15-37-25(43)13-14-38-32(46)29(45)35(5,6)18-56-62(53,54)59-61(51,52)55-17-24-28(58-60(48,49)50)27(44)33(57-24)42-20-41-26-30(36)39-19-40-31(26)42/h19-24,27-29,33,44-45H,7-18H2,1-6H3,(H,37,43)(H,38,46)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/t22?,23?,24-,27-,28-,29+,33-/m1/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
Tn_antigen,"Tn Antigen",C8H14NO5X,0,0,0,G00023,NaN,NaN,,"",Tn_antigen,Tn_antigen,,NaN,"",Tn_antigen,"",,,MNXM7559,,NaN,,,REDMNGDGDYFZRE-UHFFFAOYSA-N,"InChI=1S/C11H20N2O8/c1-4(15)13-7-9(17)8(16)6(2-14)21-11(7)20-3-5(12)10(18)19/h5-9,11,14,16-17H,2-3,12H2,1H3,(H,13,15)(H,18,19)",[H]OC(=O)C([H])(N([H])[H])C([H])([H])OC1([H])OC([H])(C([H])([H])O[H])C([H])(O[H])C([H])(O[H])C1([H])N([H])C(=O)C([H])([H])[H]
toct2eACP,"Trans-Oct-2-enoyl-[acyl-carrier protein]",C19H33N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",toct2eACP,"",,,MNXM23766,,NaN,,,,"",
toctd2eACP,"Trans-octadec-2-enoyl-[acyl-carrier protein]",C29H53N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",toctd2eACP,"",,cpd11572,MNXM2573,,NaN,,,,"",
tolbutamide,"Tolbutamide",C12H18N2O3S,0,270.348,270.1038131,C07148,5505,27999,HMDB0015256,"",tolbutamide,tolbutamide,,5304,"",tolbutamide,"Tolbutamide",,,MNXM5310,,NaN,64-77-7,DTXSID8021359,JLRGJRBPOGGCBT-UHFFFAOYSA-N,"InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)",[H]N(C(=O)N([H])S(=O)(=O)C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
tpalm2eACP,"Trans-Hexadec-2-enoyl-[acyl-carrier protein]",C27H49N2O8PRS,-1,0,0,,NaN,NaN,,"",,,,NaN,"",tpalm2eACP,"",,cpd11477,MNXM29072,,NaN,,,,"",
trdox,"Oxidized Thioredoxin",X,0,0,0,C00343,NaN,18191,,"",trdox,trdox,,NaN,"",trdox,"",,cpd11420,MNXM148,,NaN,,,,"",[H]N([*])[C@]([H])(C([*])=O)C([H])([H])SSC([H])([H])[C@]([H])(N([H])[*])C([*])=O
trdrd,"Reduced Thioredoxin",XH2,0,0,0,C00342,NaN,15967,,"",trdrd,trdrd,,NaN,"",trdrd,"",,cpd11421,MNXM96993,,NaN,,,,"",[H]SC([H])([H])[C@]([H])(N([H])[*])C(=O)N([H])[C@@]([H])([*])C(=O)N([H])[C@@]([H])([*])C(=O)N([H])[C@]([H])(C([*])=O)C([H])([H])S[H]
tre,"Trehalose",C12H22O11,0,342.2965,342.1162115,C01083,7427,16551,HMDB0000975,"",tre,tre,FDB001114,7149,"TREHALOSE",tre,"Trehalose",,cpd00794,MNXM198,C00001152,5913,99-20-7,DTXSID3048102,HDTRYLNUVZCQOY-LIZSDCNHSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
tre6p,"Alpha,alpha-Trehalose 6-phosphate",C12H21O14P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",tre6p,"",,cpd00523,MNXM448,,NaN,,,,"",
tridcoa,"Tridecanoyl Coenzyme A",C34H56N7O17P3S,-4,0,0,,53481606,NaN,,"",tridcoa,tridcoa,,NaN,"",,"",,,,,NaN,,,TZKUYUHMJHEXOQ-XILBVEEWSA-J,"InChI=1S/C34H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-25(43)62-18-17-36-24(42)15-16-37-32(46)29(45)34(2,3)20-55-61(52,53)58-60(50,51)54-19-23-28(57-59(47,48)49)27(44)33(56-23)41-22-40-26-30(35)38-21-39-31(26)41/h21-23,27-29,33,44-45H,4-20H2,1-3H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/p-4/t23-,27-,28-,29?,33-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
trideceth,"Tridecanoyl Thanolamide (C13:0)",C15H31NO2,0,0,0,,NaN,NaN,,"",,trideceth,,NaN,"",,"",,,,,NaN,,,QIGYRHZXILJBGB-UHFFFAOYSA-N,"InChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17/h17H,2-14H2,1H3,(H,16,18)",[H]OC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
triodthy,"Liothyronine",C15H12I3NO4,0,650.9735,650.7900381,C02465,5920,18258,HMDB0000265,"",triodthy,triodthy,FDB021810,5707,"LIOTHYRONINE",triodthy,"Liothyronine",DB00279,,MNXM162560,,5265,,,AUYYCJSJGJYCDS-LBPRGKRZSA-N,"InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1",[H]OC1=C([H])C([H])=C(OC2=C(I)C([H])=C(C([H])=C2I)C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H])C([H])=C1I
triodthysuf,"Triiodothyronine Sulfate",C15H11I3NO7S,-1,731.0300293,730.74686,,122196,35432,,"",triodthysuf,triodthysuf,,NaN,"",triodthysuf,"",,,MNXM163910,,NaN,31135-55-4,DTXSID80185066,XBQYQXVJBNDCGY-LBPRGKRZSA-M,"InChI=1S/C15H12I3NO7S/c16-9-6-8(1-2-13(9)26-27(22,23)24)25-14-10(17)3-7(4-11(14)18)5-12(19)15(20)21/h1-4,6,12H,5,19H2,(H,20,21)(H,22,23,24)/p-1/t12-/m0/s1",[H]C1=C([H])C(OS([O-])(=O)=O)=C(I)C([H])=C1OC1=C(I)C([H])=C(C([H])=C1I)C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
tripvs,"Triol Metabolite of Pravastatin",C23H37NaO9,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
trnaglu,"TRNA (Glu)",R,0,0,0,,NaN,NaN,,"",,,,NaN,"",trnaglu,"",,cpd11912,MNXM90886,,NaN,,,,"",
trp_L,"L-Tryptophan",C11H12N2O2,0,204.2252,204.0898776,C00078,6305,16828,HMDB0000929,"",trp_L,trp_L,FDB002250,6066,"TRP",trp__L,"Kalma",DB00150,cpd00065,MNXM94,C00001396,5879,73-22-3,DTXSID5021419,QIVBCDIJIAJPQS-VIFPVBQESA-N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",[H]N1C([H])=C(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
trpalapro,"Tryptophanyl-Alanyl-Proline",C19H24N4O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VZBWRZGNEPBRDE-PJODQICGSA-N,"InChI=1S/C19H24N4O4/c1-11(18(25)23-8-4-7-16(23)19(26)27)22-17(24)14(20)9-12-10-21-15-6-3-2-5-13(12)15/h2-3,5-6,10-11,14,16,21H,4,7-9,20H2,1H3,(H,22,24)(H,26,27)/t11-,14-,16-/m0/s1",[H]OC(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C2=C([H])N([H])C3=C2C([H])=C([H])C([H])=C3[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]
trpargala,"Tryptophanyl-Arginyl-Alanine",C20H30N7O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HOJPPPKZWFRTHJ-HZUKXOBISA-O,"InChI=1S/C20H29N7O4/c1-11(19(30)31)26-18(29)16(7-4-8-24-20(22)23)27-17(28)14(21)9-12-10-25-15-6-3-2-5-13(12)15/h2-3,5-6,10-11,14,16,25H,4,7-9,21H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H4,22,23,24)/p+1/t11-,14-,16+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])[H]
trpaspasp,"Tryptophanyl-Aspartyl-Aspartate",C19H20N4O8,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VEYXZZGMIBKXCN-YUTCNCBUSA-L,"InChI=1S/C19H22N4O8/c20-11(5-9-8-21-12-4-2-1-3-10(9)12)17(28)22-13(6-15(24)25)18(29)23-14(19(30)31)7-16(26)27/h1-4,8,11,13-14,21H,5-7,20H2,(H,22,28)(H,23,29)(H,24,25)(H,26,27)(H,30,31)/p-2/t11-,13+,14-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
trpglngln,"Tryptophanyl-Glutaminyl-Glutamine",C21H28N6O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DQDXHYIEITXNJY-IMJJTQAJSA-N,"InChI=1S/C21H28N6O6/c22-13(9-11-10-25-14-4-2-1-3-12(11)14)19(30)26-15(5-7-17(23)28)20(31)27-16(21(32)33)6-8-18(24)29/h1-4,10,13,15-16,25H,5-9,22H2,(H2,23,28)(H2,24,29)(H,26,30)(H,27,31)(H,32,33)/t13-,15+,16-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H]
trpglugly,"Tryptophanyl-Glutamyl-Glycine",C18H21N4O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VMBBTANKMSRJSS-GXTWGEPZSA-M,"InChI=1S/C18H22N4O6/c19-12(7-10-8-20-13-4-2-1-3-11(10)13)17(27)22-14(5-6-15(23)24)18(28)21-9-16(25)26/h1-4,8,12,14,20H,5-7,9,19H2,(H,21,28)(H,22,27)(H,23,24)(H,25,26)/p-1/t12-,14+/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([O-])=O
trpgluleu,"Tryptophanyl-Glutamyl-Leucine",C22H29N4O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,YXONONCLMLHWJX-JQHSSLGASA-M,"InChI=1S/C22H30N4O6/c1-12(2)9-18(22(31)32)26-21(30)17(7-8-19(27)28)25-20(29)15(23)10-13-11-24-16-6-4-3-5-14(13)16/h3-6,11-12,15,17-18,24H,7-10,23H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)(H,31,32)/p-1/t15-,17+,18-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
trpglupro,"Tryptophanyl-Glutamyl-Proline",C21H25N4O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,KDWZQYUTMJSYRJ-USXIJHARSA-M,"InChI=1S/C21H26N4O6/c22-14(10-12-11-23-15-5-2-1-4-13(12)15)19(28)24-16(7-8-18(26)27)20(29)25-9-3-6-17(25)21(30)31/h1-2,4-5,11,14,16-17,23H,3,6-10,22H2,(H,24,28)(H,26,27)(H,30,31)/p-1/t14-,16+,17+/m0/s1",[H]OC(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C2=C([H])N([H])C3=C2C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C1([H])[H]
trpglutyr,"Tryptophanyl-Glutamyl-Tyrosine",C25H27N4O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HXNVJPQADLRHGR-TYPHKJRUSA-M,"InChI=1S/C25H28N4O7/c26-18(12-15-13-27-19-4-2-1-3-17(15)19)23(33)28-20(9-10-22(31)32)24(34)29-21(25(35)36)11-14-5-7-16(30)8-6-14/h1-8,13,18,20-21,27,30H,9-12,26H2,(H,28,33)(H,29,34)(H,31,32)(H,35,36)/p-1/t18-,20+,21-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
trpglyasp,"Tryptophanyl-Glycyl-Aspartate",C17H19N4O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BEWOXKJJMBKRQL-AAEUAGOBSA-M,"InChI=1S/C17H20N4O6/c18-11(5-9-7-19-12-4-2-1-3-10(9)12)16(25)20-8-14(22)21-13(17(26)27)6-15(23)24/h1-4,7,11,13,19H,5-6,8,18H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/p-1/t11-,13-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([O-])=O
trpglyleu,"Tryptophanyl-Glycyl-Leucine",C19H26N4O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,RPVDDQYNBOVWLR-HOCLYGCPSA-N,"InChI=1S/C19H26N4O4/c1-11(2)7-16(19(26)27)23-17(24)10-22-18(25)14(20)8-12-9-21-15-6-4-3-5-13(12)15/h3-6,9,11,14,16,21H,7-8,10,20H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t14-,16-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
trpglyphe,"Tryptophanyl-Glycyl-Phenylalanine",C22H24N4O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NOFFAYIYPAUNRM-HKUYNNGSSA-N,"InChI=1S/C22H24N4O4/c23-17(11-15-12-24-18-9-5-4-8-16(15)18)21(28)25-13-20(27)26-19(22(29)30)10-14-6-2-1-3-7-14/h1-9,12,17,19,24H,10-11,13,23H2,(H,25,28)(H,26,27)(H,29,30)/t17-,19-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
trpglyval,"Tryptophanyl-Glycyl-Valine",C18H24N4O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WSGPBCAGEGHKQJ-BBRMVZONSA-N,"InChI=1S/C18H24N4O4/c1-10(2)16(18(25)26)22-15(23)9-21-17(24)13(19)7-11-8-20-14-6-4-3-5-12(11)14/h3-6,8,10,13,16,20H,7,9,19H2,1-2H3,(H,21,24)(H,22,23)(H,25,26)/t13-,16-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H]
trphismet,"Tryptophanyl-Histidyl-Methionine",C22H28N6O4S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HJXWDGGIORSQQF-YTQUADARSA-N,"InChI=1S/C22H28N6O4S/c1-33-7-6-18(22(31)32)27-21(30)19(9-14-11-24-12-26-14)28-20(29)16(23)8-13-10-25-17-5-3-2-4-15(13)17/h2-5,10-12,16,18-19,25H,6-9,23H2,1H3,(H,24,26)(H,27,30)(H,28,29)(H,31,32)/t16-,18-,19+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])SC([H])([H])[H]
trpilelys,"Tryptophanyl-Isoleucyl-Lysine",C23H36N5O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ILDJYIDXESUBOE-DJGIMKDFSA-O,"InChI=1S/C23H35N5O4/c1-3-14(2)20(22(30)27-19(23(31)32)10-6-7-11-24)28-21(29)17(25)12-15-13-26-18-9-5-4-8-16(15)18/h4-5,8-9,13-14,17,19-20,26H,3,6-7,10-12,24-25H2,1-2H3,(H,27,30)(H,28,29)(H,31,32)/p+1/t14?,17-,19-,20+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
trpiletrp,"Tryptophanyl-Isoleucyl-Tryptophan",C28H33N5O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,RIOVOFZXVOWCCX-SBCJRHGPSA-N,"InChI=1S/C28H33N5O4/c1-3-16(2)25(33-26(34)21(29)12-17-14-30-22-10-6-4-8-19(17)22)27(35)32-24(28(36)37)13-18-15-31-23-11-7-5-9-20(18)23/h4-11,14-16,21,24-25,30-31H,3,12-13,29H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)/t16-,21-,24-,25-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]
trpleuval,"Tryptophanyl-Leucyl-Valine",C22H32N4O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WMBFONUKQXGLMU-UHOSZYNNSA-N,"InChI=1S/C22H32N4O4/c1-12(2)9-18(21(28)26-19(13(3)4)22(29)30)25-20(27)16(23)10-14-11-24-17-8-6-5-7-15(14)17/h5-8,11-13,16,18-19,24H,9-10,23H2,1-4H3,(H,25,27)(H,26,28)(H,29,30)/t16-,18+,19-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
trplys,"Tryptophanyl-Lysine",C17H25N4O3,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DZHDVYLBNKMLMB-DZGCQCFKSA-O,"InChI=1S/C17H24N4O3/c18-8-4-3-7-15(17(23)24)21-16(22)13(19)9-11-10-20-14-6-2-1-5-12(11)14/h1-2,5-6,10,13,15,20H,3-4,7-9,18-19H2,(H,21,22)(H,23,24)/p+1/t13-,15+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
trpmetarg,"Tryptophanyl-Methionyl-Arginine",C22H34N7O4S,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SNWIAPVRCNYFNI-SZMVWBNQSA-N,"InChI=1S/C22H33N7O4S/c1-34-10-8-17(20(31)29-18(21(32)33)7-4-9-26-22(24)25)28-19(30)15(23)11-13-12-27-16-6-3-2-5-14(13)16/h2-3,5-6,12,15,17-18,27H,4,7-11,23H2,1H3,(H,28,30)(H,29,31)(H,32,33)(H4,24,25,26)/t15-,17-,18-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H]
trpmetval,"Tryptophanyl-Methionyl-Valine",C21H30N4O4S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NFVQCNMGJILYMI-JQHSSLGASA-N,"InChI=1S/C21H30N4O4S/c1-12(2)18(21(28)29)25-20(27)17(8-9-30-3)24-19(26)15(22)10-13-11-23-16-7-5-4-6-14(13)16/h4-7,11-12,15,17-18,23H,8-10,22H2,1-3H3,(H,24,26)(H,25,27)(H,28,29)/t15-,17+,18-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])SC([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
trpphe,"Tryptophanyl-Phenylalanine",C20H21N3O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,IMMPMHKLUUZKAZ-FUHWJXTLSA-N,"InChI=1S/C20H21N3O3/c21-16(11-14-12-22-17-9-5-4-8-15(14)17)19(24)23-18(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)/t16-,18+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
trpprogly,"Tryptophanyl-Prolyl-Glycine",C18H21N4O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WMIUTJPFHMMUGY-ZFWWWQNUSA-N,"InChI=1S/C18H22N4O4/c19-13(8-11-9-20-14-5-2-1-4-12(11)14)18(26)22-7-3-6-15(22)17(25)21-10-16(23)24/h1-2,4-5,9,13,15,20H,3,6-8,10,19H2,(H,21,25)(H,23,24)/t13-,15-/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])[H])C([H])([H])C2=C([H])N([H])C3=C2C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C1([H])[H]
trpproleu,"Tryptophanyl-Prolyl-Leucine",C22H30N4O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XOLLWQIBBLBAHQ-WDSOQIARSA-N,"InChI=1S/C22H30N4O4/c1-13(2)10-18(22(29)30)25-20(27)19-8-5-9-26(19)21(28)16(23)11-14-12-24-17-7-4-3-6-15(14)17/h3-4,6-7,12-13,16,18-19,24H,5,8-11,23H2,1-2H3,(H,25,27)(H,29,30)/t16-,18-,19-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)[C@]([H])(N([H])[H])C([H])([H])C2=C([H])N([H])C3=C2C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
trpproval,"Tryptophanyl-Prolyl-Valine",C21H28N4O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JEYRCNVVYHTZMY-SZMVWBNQSA-N,"InChI=1S/C21H28N4O4/c1-12(2)18(21(28)29)24-19(26)17-8-5-9-25(17)20(27)15(22)10-13-11-23-16-7-4-3-6-14(13)16/h3-4,6-7,11-12,15,17-18,23H,5,8-10,22H2,1-2H3,(H,24,26)(H,28,29)/t15-,17-,18-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@]1([H])N(C(=O)[C@]([H])(N([H])[H])C([H])([H])C2=C([H])N([H])C3=C2C([H])=C([H])C([H])=C3[H])C([H])([H])C([H])([H])C1([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
trpsertyr,"Tryptophanyl-Seryl-Tyrosine",C23H26N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ABRICLFKFRFDKS-YSIASYRMSA-N,"InChI=1S/C23H26N4O6/c24-17(10-14-11-25-18-4-2-1-3-16(14)18)21(30)27-20(12-28)22(31)26-19(23(32)33)9-13-5-7-15(29)8-6-13/h1-8,11,17,19-20,25,28-29H,9-10,12,24H2,(H,26,31)(H,27,30)(H,32,33)/t17-,19-,20+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])O[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
trpthrglu,"Tryptophanyl-Threonyl-Glutamate",C20H25N4O7,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,DTPWXZXGFAHEKL-CDUAKIRFSA-M,"InChI=1S/C20H26N4O7/c1-10(25)17(19(29)23-15(20(30)31)6-7-16(26)27)24-18(28)13(21)8-11-9-22-14-5-3-2-4-12(11)14/h2-5,9-10,13,15,17,22,25H,6-8,21H2,1H3,(H,23,29)(H,24,28)(H,26,27)(H,30,31)/p-1/t10-,13-,15-,17+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([O-])=O
trpthrile,"Tryptophanyl-Threonyl-Isoleucine",C21H30N4O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WBZOZLNLXVBCNW-RJSFKJTHSA-N,"InChI=1S/C21H30N4O5/c1-4-11(2)17(21(29)30)24-20(28)18(12(3)26)25-19(27)15(22)9-13-10-23-16-8-6-5-7-14(13)16/h5-8,10-12,15,17-18,23,26H,4,9,22H2,1-3H3,(H,24,28)(H,25,27)(H,29,30)/t11?,12-,15-,17-,18+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])[C@]([H])(O[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
trpthrtyr,"Tryptophanyl-Threonyl-Tyrosine",C24H28N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,WTRQBSSQBKRNKV-AUXSQSTDSA-N,"InChI=1S/C24H28N4O6/c1-13(29)21(23(32)27-20(24(33)34)10-14-6-8-16(30)9-7-14)28-22(31)18(25)11-15-12-26-19-5-3-2-4-17(15)19/h2-9,12-13,18,20-21,26,29-30H,10-11,25H2,1H3,(H,27,32)(H,28,31)(H,33,34)/t13-,18-,20-,21+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
trptyrgln,"Tryptophanyl-Tyrosyl-Glutamine",C25H29N5O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PKZIWSHDJYIPRH-JBACZVJFSA-N,"InChI=1S/C25H29N5O6/c26-18(12-15-13-28-19-4-2-1-3-17(15)19)23(33)30-21(11-14-5-7-16(31)8-6-14)24(34)29-20(25(35)36)9-10-22(27)32/h1-8,13,18,20-21,28,31H,9-12,26H2,(H2,27,32)(H,29,34)(H,30,33)(H,35,36)/t18-,20-,21-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])[H]
trptyrtyr,"Tryptophanyl-Tyrosyl-Tyrosine",C29H30N4O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,GDPDVIBHJDFRFD-DMDYGQEQSA-N,"InChI=1S/C29H30N4O6/c30-23(15-19-16-31-24-4-2-1-3-22(19)24)27(36)32-25(13-17-5-9-20(34)10-6-17)28(37)33-26(29(38)39)14-18-7-11-21(35)12-8-18/h1-12,16,23,25-26,31,34-35H,13-15,30H2,(H,32,36)(H,33,37)(H,38,39)/t23-,25+,26-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
trpvalasp,"Tryptophanyl-Valyl-Aspartate",C20H25N4O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,RKISDJMICOREEL-JLJPHGGASA-M,"InChI=1S/C20H26N4O6/c1-10(2)17(19(28)23-15(20(29)30)8-16(25)26)24-18(27)13(21)7-11-9-22-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,17,22H,7-8,21H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)(H,29,30)/p-1/t13-,15-,17+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([O-])=O
trypta,"Tryptamine",C10H13N2,1,160.2157,160.1000484,C00398,1150,16765,HMDB0000303,"",trypta,trypta,FDB000917,1118,"TRYPTAMINE",trypta,"Tryptamine",,cpd00318,MNXM806,C00001434,325,61-54-1,DTXSID2075340,APJYDQYYACXCRM-UHFFFAOYSA-O,"InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1",[H]N1C([H])=C(C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])C([H])([H])[N+]([H])([H])[H]
ts3,"Tachysterol 3",C27H44O,0,384.6377,384.339216,,5283713,NaN,HMDB0006560,"",ts3,ts3,FDB023972,4446802,"",ts3,"",,,MNXM21968,,NaN,17592-07-3,,YUGCAAVRZWBXEQ-WHTXLNIXSA-N,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C(\C([H])=C(\[H])C2=C([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])C1([H])[H]
tsacmgluc,"Thiomethyl-Sulphoxide-Acetaminophen-Glucuronide",C15H18NO9S,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
tsacmsul,"Thiomethyl-Sulphoxide-Acetaminophen-Sulphate",C9H10NO6S2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
tststerone,"Testosterone",C19H28O2,0,288.4244,288.2089301,C00535,6013,17347,HMDB0000234,"",tststerone,tststerone,FDB011544,5791,"",tststerone,"Testosterone",DB00624,cpd00420,MNXM162488,C00003675,390,58-22-0,DTXSID8022371,MUMGGOZAMZWBJJ-DYKIIFRCSA-N,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
tststeroneglc,"Testosterone glucuronide",C25H36O8,0,464.5485,464.2410181,C11134,108192,28835,HMDB0003193,"",tststeroneglc,tststeroneglc,FDB023122,97270,"",tststeroneglc,"Testim",DBMET00562,,MNXM6447,,2794,1180-25-2,,NIKZPECGCSUSBV-HMAFJQTKSA-N,"InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1",[H]OC(=O)[C@@]1([H])O[C@@]([H])(O[C@@]2([H])C([H])([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])C5=C([H])C(=O)C([H])([H])C([H])([H])[C@]5(C([H])([H])[H])[C@@]4([H])C([H])([H])C([H])([H])[C@]23C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
tststerones,"Testosterone sulfate",C19H27O5S,-1,368.488,368.1657447,,119207,84094,HMDB0002833,"",tststerones,tststerones,FDB023072,106493,"",tststerones,"Testim",DBMET00556,,MNXM12985,,3558,651-45-6,,WAQBISPOEAOCOG-DYKIIFRCSA-M,"InChI=1S/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/p-1/t14-,15-,16-,17-,18-,19-/m0/s1",[H]C1=C2C([H])([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])(OS([O-])(=O)=O)[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])C1=O
tsul,"Thiosulfate",O3S2,-2,0,0,C00320,1084,16094,HMDB0000257,"",tsul,tsul,FDB021921,1054,"S2O3",tsul,"Thiosulfate",,cpd00268,MNXM323,,5260,,,DHCDFWKWKRSZHF-UHFFFAOYSA-L,"InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2",[O-]S([O-])(=O)=S
ttc_ggdp,"Trans,Trans,Cis-Geranylgeranyl Diphosphate",C20H33O7P2,-3,0,0,,5281909,NaN,,"",ttc_ggdp,ttc_ggdp,,NaN,"",ttc_ggdp,"",,cpd08211,MNXM163002,,NaN,,,OINNEUNVOZHBOX-KWBDAJKESA-K,"InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/p-3/b18-11+,19-13+,20-15-",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=C(\[H])C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H]
ttccoa,"Tetracosanoyl-CoA",C45H78N7O17P3S,-4,1118.156,1117.470074,C16529,53477849,NaN,HMDB0006526,"tetracosanoyl-CoA",ttccoa,ttccoa,FDB023959,NaN,"",ttccoa,"",,cpd15297,MNXM91024,,NaN,,,MOYMQYZWIUKGGY-YOUZJQHUSA-J,"InChI=1S/C45H82N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h32-34,38-40,44,55-56H,4-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/t34-,38-,39-,40+,44-/m0/s1",[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
ttdca,"Myristic acid",C14H27O2,-1,228.3709,228.2089301,C06424,11005,28875,HMDB0000806,"",ttdca,ttdca,FDB002890,10539,"",ttdca,"Myristic acid",,cpd03847,MNXM162239,C00001228,196,544-63-8,DTXSID6021666,TUNFSRHWOTWDNC-UHFFFAOYSA-M,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/p-1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
ttdcea,"9E-Tetradecenoic Acid (N-C14:1)",C14H25O2,-1,0,0,,68344,NaN,,"",,ttdcea,,NaN,"",ttdcea,"",,cpd15298,MNXM641,,NaN,,,YWWVWXASSLXJHU-WAYWQWQTSA-M,"InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/p-1/b6-5-",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
ttdceacoa,"Tetradecenoyl Coenzyme A (N-C14:1)",C35H56N7O17P3S,-4,0,0,,NaN,NaN,,"",,ttdceacoa,,NaN,"",,"",,,,,NaN,,,,"",
ttdcrn,"Tetradecenoylcarnitine",C21H41NO4,0,0,0,,53477791,84634,HMDB0005066,"",ttdcrn,ttdcrn,FDB023615,30776567,"",ttdcrn,"",,,MNXM9143,,NaN,,,PSHXNVGSVNEJBD-LJQANCHMSA-N,"InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/t19-/m1/s1",[H]C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
ttetddcoa,"Trans5,8Tetradecadienoyl Coenzyme A",C35H54N7O17P3S,-4,0,0,,21252281,NaN,,"",ttetddcoa,ttetddcoa,,NaN,"",,"",,,,,NaN,,,MJBZUCVXTFUVFY-MURFETPASA-J,"InChI=1S/C35H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h8-9,11-12,22-24,28-30,34,45-46H,4-7,10,13-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/p-4/b9-8-,12-11-",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
tudca3s,"Tauroursodeoxycholic acid 3-sulfate",C26H44NO9S2,-1,0,0,,NaN,NaN,,"",,tudca3s,,NaN,"",,"",,,,,NaN,,,,"",
txa2,"Thromboxane A2",C20H31O5,-1,352.4651,352.2249741,C02198,5280497,15627,HMDB0001452,"",txa2,txa2,FDB022632,4444137,"ALPHA11-ALPHA-EPOXY-15-HYDROXYTHROMBA",txa2,"Thromboxane A2",,,MNXM1445,,6253,57576-52-0,,DSNBHJFQCNUKMA-UJIKMVLPSA-M,"InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/p-1/b7-4+,13-12-/t15-,16+,17+,18-,20+/m0/s1",[H]O[C@]([H])(C([H])=C([H])[C@@]1([H])O[C@]2([H])O[C@@]([H])(C2([H])[H])[C@]1([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
txb2,"Thromboxane B2",C20H33O6,-1,0,0,,NaN,NaN,,"",,txb2,,NaN,"",txb2,"",,,MNXM148517,,NaN,,,XNRNNGPBEPRNAR-IUMIINJXSA-M,"InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/p-1/b7-4-,13-12?/t15-,16-,17-,18+,20?/m0/s1",[H]O[C@]([H])(C(\[H])=C(/[H])[C@@]1([H])OC([H])(O[H])C([H])([H])[C@]([H])(O[H])[C@]1([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
tym,"Tyramine",C8H12NO,1,137.179,137.084064,C00483,5610,15760,HMDB0000306,"",tym,tym,FDB000433,5408,"CPD-7650",tym,"Tyramine",,cpd00374,MNXM603,C00001435,60,51-67-2,DTXSID2043874,DZGWFCGJZKJUFP-UHFFFAOYSA-O,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2/p+1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])[N+]([H])([H])[H]
tymsf,"Tyramine-O-sulfate",C8H11NO4S,0,217.242,217.0408785,,153005,133530,HMDB0006409,"",tymsf,tymsf,FDB023914,134849,"",tymsf,"",,,MNXM13201,,NaN,30223-92-8,DTXSID50184324,DYDUXGMDSXJQFT-UHFFFAOYSA-N,"InChI=1S/C8H11NO4S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4H,5-6,9H2,(H,10,11,12)",[H]C1=C([H])C(=C([H])C([H])=C1OS([O-])(=O)=O)C([H])([H])C([H])([H])[N+]([H])([H])[H]
Tyr_ggn,"Tyr-194 Of Apo-Glycogenin Protein (Primer For Glycogen Synthesis)",XOH,0,0,0,,NaN,NaN,,"",Tyr_ggn,Tyr_ggn,,NaN,"",Tyr_ggn,"",,,MNXM146651,,NaN,,,,"",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*]
tyr_L,"L-Tyrosine",C9H11NO3,0,181.1885,181.0738932,C00082,6057,17895,HMDB0000158,"L-tyrosine",tyr_L,tyr_L,FDB000446,5833,"TYR",tyr__L,"L-Tyrosine",DB03839,cpd00069,MNXM76,C00001397,34,60-18-4,DTXSID1023730,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
tyrala,"Tyrosyl-Alanine",C12H16N2O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NLKUJNGEGZDXGO-OIBJUYFYSA-N,"InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])[H]
tyralaphe,"Tyrosyl-Alaninyl-Phenylalanine",C21H25N3O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,XGEUYEOEZYFHRL-MORSLUCNSA-N,"InChI=1S/C21H25N3O5/c1-13(23-20(27)17(22)11-15-7-9-16(25)10-8-15)19(26)24-18(21(28)29)12-14-5-3-2-4-6-14/h2-10,13,17-18,25H,11-12,22H2,1H3,(H,23,27)(H,24,26)(H,28,29)/t13-,17+,18+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
tyrargglu,"Tyrosyl-Arginyl-Glutamate",C20H30N6O7,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,HTHCZRWCFXMENJ-ZNMIVQPWSA-N,"InChI=1S/C20H30N6O7/c21-13(10-11-3-5-12(27)6-4-11)17(30)25-14(2-1-9-24-20(22)23)18(31)26-15(19(32)33)7-8-16(28)29/h3-6,13-15,27H,1-2,7-10,21H2,(H,25,30)(H,26,31)(H,28,29)(H,32,33)(H4,22,23,24)/t13-,14+,15-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])C([H])([H])C([O-])=O
tyrargser,"Tyrosyl-Arginyl-Serine",C18H29N6O6,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,IIJWXEUNETVJPV-MJBXVCDLSA-O,"InChI=1S/C18H28N6O6/c19-12(8-10-3-5-11(26)6-4-10)15(27)23-13(2-1-7-22-18(20)21)16(28)24-14(9-25)17(29)30/h3-6,12-14,25-26H,1-2,7-9,19H2,(H,23,27)(H,24,28)(H,29,30)(H4,20,21,22)/p+1/t12-,13+,14-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H])C([H])([H])O[H]
tyrasparg,"Tyrosyl-Aspartyl-Arginine",C19H28N6O7,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,BARBHMSSVWPKPZ-MELADBBJSA-N,"InChI=1S/C19H28N6O7/c20-12(8-10-3-5-11(26)6-4-10)16(29)25-14(9-15(27)28)17(30)24-13(18(31)32)2-1-7-23-19(21)22/h3-6,12-14,26H,1-2,7-9,20H2,(H,24,30)(H,25,29)(H,27,28)(H,31,32)(H4,21,22,23)/t12-,13-,14+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
tyrcysgly,"Tyrosyl-Cysteinyl-Glycine",C14H19N3O5S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,FQNUWOHNGJWNLM-WDEREUQCSA-N,"InChI=1S/C14H19N3O5S/c15-10(5-8-1-3-9(18)4-2-8)13(21)17-11(7-23)14(22)16-6-12(19)20/h1-4,10-11,18,23H,5-7,15H2,(H,16,22)(H,17,21)(H,19,20)/t10-,11+/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])S[H]
tyrcysthr,"Tyrosyl-Cysteinyl-Threonine",C16H23N3O6S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UMXSDHPSMROQRB-KNDHEWATSA-N,"InChI=1S/C16H23N3O6S/c1-8(20)13(16(24)25)19-15(23)12(7-26)18-14(22)11(17)6-9-2-4-10(21)5-3-9/h2-5,8,11-13,20-21,26H,6-7,17H2,1H3,(H,18,22)(H,19,23)(H,24,25)/t8-,11-,12+,13-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])S[H])[C@]([H])(O[H])C([H])([H])[H]
tyrglu,"Tyrosyl-Glutamate",C14H17N2O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PDSLRCZINIDLMU-WDEREUQCSA-M,"InChI=1S/C14H18N2O6/c15-10(7-8-1-3-9(17)4-2-8)13(20)16-11(14(21)22)5-6-12(18)19/h1-4,10-11,17H,5-7,15H2,(H,16,20)(H,18,19)(H,21,22)/p-1/t10-,11+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])([H])C([O-])=O
tyrleuarg,"Tyrosyl-Leucyl-Arginine",C21H35N6O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,QSFJHIRIHOJRKS-YESZJQIVSA-O,"InChI=1S/C21H34N6O5/c1-12(2)10-17(19(30)26-16(20(31)32)4-3-9-25-21(23)24)27-18(29)15(22)11-13-5-7-14(28)8-6-13/h5-8,12,15-17,28H,3-4,9-11,22H2,1-2H3,(H,26,30)(H,27,29)(H,31,32)(H4,23,24,25)/p+1/t15-,16-,17+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
tyrphetyr,"Tyrosyl-Phenylalanyl-Tyrosine",C27H29N3O6,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,PHKQVWWHRYUCJL-VXNXHJTFSA-N,"InChI=1S/C27H29N3O6/c28-22(14-18-6-10-20(31)11-7-18)25(33)29-23(15-17-4-2-1-3-5-17)26(34)30-24(27(35)36)16-19-8-12-21(32)13-9-19/h1-13,22-24,31-32H,14-16,28H2,(H,29,33)(H,30,34)(H,35,36)/t22-,23+,24-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
tyrthr,"Tyrosyl-Threonine",C13H18N2O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,MFEVVAXTBZELLL-BKDNQFJXSA-N,"InChI=1S/C13H18N2O5/c1-7(16)11(13(19)20)15-12(18)10(14)6-8-2-4-9(17)5-3-8/h2-5,7,10-11,16-17H,6,14H2,1H3,(H,15,18)(H,19,20)/t7-,10-,11+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])[C@]([H])(O[H])C([H])([H])[H]
tyrtrpphe,"Tyrosyl-Tryptophanyl-Phenylalanine",C29H30N4O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ABZWHLRQBSBPTO-RNXOBYDBSA-N,"InChI=1S/C29H30N4O5/c30-23(14-19-10-12-21(34)13-11-19)27(35)32-25(16-20-17-31-24-9-5-4-8-22(20)24)28(36)33-26(29(37)38)15-18-6-2-1-3-7-18/h1-13,17,23,25-26,31,34H,14-16,30H2,(H,32,35)(H,33,36)(H,37,38)/t23-,25-,26-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
tyrtyr,"Tyrosyl-Tyrosine",C18H20N2O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,JAQGKXUEKGKTKX-JKSUJKDBSA-N,"InChI=1S/C18H20N2O5/c19-15(9-11-1-5-13(21)6-2-11)17(23)20-16(18(24)25)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10,19H2,(H,20,23)(H,24,25)/t15-,16+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
tyrvalmet,"Tyrosyl-Valyl-Methionine",C19H29N3O5S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,SMUWZUSWMWVOSL-HRCADAONSA-N,"InChI=1S/C19H29N3O5S/c1-11(2)16(18(25)21-15(19(26)27)8-9-28-3)22-17(24)14(20)10-12-4-6-13(23)7-5-12/h4-7,11,14-16,23H,8-10,20H2,1-3H3,(H,21,25)(H,22,24)(H,26,27)/t14-,15-,16+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H]
u23ga,"UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine",C43H75N3O20P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",u23ga,"",,cpd02835,MNXM1199,,NaN,,,,"",
u3aga,"UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine",C31H51N3O19P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",u3aga,"",,cpd02886,MNXM2157,,NaN,,,,"",
u3hga,"UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine",C29H50N3O18P2,-1,0,0,,NaN,NaN,,"",,,,NaN,"",u3hga,"",,cpd03584,MNXM2036,,NaN,,,,"",
uaaAgla,"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine",C94H153N8O26P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",uaaAgla,"",,cpd03487,MNXM88512,,NaN,,,,"",
uaaAgtla,"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutaminyl-L-lysyl-D-alanyl-D-alanine",C94H155N9O25P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",uaaAgtla,"",,cpd03488,MNXM88510,,NaN,,,,"",
uaaGgla,"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine",C94H153N8O26P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",uaaGgla,"",,cpd03491,MNXM1344,,NaN,,,,"",
uaaGgtla,"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine",C94H155N9O25P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",uaaGgtla,"",,cpd03492,MNXM3113,,NaN,,,,"",
uaagmda,"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-ala-D-glu-meso-2,6-diaminopimeloyl-D-ala-D-ala",C95H152N8O28P2,-4,0,0,,NaN,NaN,,"",,,,NaN,"",uaagmda,"",,cpd03495,MNXM1242,,NaN,,,,"",
uaagtmda,"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutaminyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine",C95H154N9O27P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",uaagtmda,"",,cpd03496,MNXM88508,,NaN,,,,"",
uaccg,"UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine",C20H26N3O19P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",uaccg,"",,cpd02820,MNXM1688,,NaN,,,,"",
uacgam,"Uridine diphosphate-N-acetylglucosamine",C17H25N3O17P2,-2,607.3537,607.0815695,C00043,445675,16264,HMDB0000290,"",uacgam,uacgam,FDB021930,393240,"UDP-N-ACETYL-D-GLUCOSAMINE",uacgam,"UDP-N-acetylglucosamine",,cpd00037,MNXM47,C00019358,5281,528-04-1,,LFTYTUAZOPRMMI-SQUNQTHHSA-L,"InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/p-2/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m0/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=O)N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
uacmam,"UDP-N-acetyl-D-mannosamine",C17H25N3O17P2,-2,0,0,,NaN,NaN,HMDB0013112,"",,,,NaN,"",uacmam,"",,cpd00861,MNXM932,,NaN,,,,"",
uacmamu,"UDP-N-acetyl-D-mannosaminouronate",C17H22N3O18P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",uacmamu,"",,cpd03732,MNXM97052,,NaN,,,,"",
uaGgla,"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine",C86H140N7O21P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",uaGgla,"",,cpd02948,MNXM1955,,NaN,,,,"",
uagmda,"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine",C87H139N7O23P2,-4,0,0,,NaN,NaN,,"",,,,NaN,"",uagmda,"",,cpd03494,MNXM2264,,NaN,,,,"",
uama,"UDP-N-acetylmuramoyl-L-alanine",C23H33N4O20P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",uama,"",,cpd00890,MNXM1953,,NaN,,,,"",
uamag,"UDP-N-acetylmuramoyl-L-alanyl-D-glutamate",C28H39N5O23P2,-4,0,0,,NaN,NaN,,"",,,,NaN,"",uamag,"",,cpd00525,MNXM955,,NaN,,,,"",
uamr,"UDP-N-acetylmuramate",C20H28N3O19P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",uamr,"",,cpd00773,MNXM785,,NaN,,,,"",
uchol,"Ursocholic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid; 3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid; 7beta-Hydroxyisocholic acid; 7-Epicholic acid",C24H39O5,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
udca3s,"Ursodeoxycholic acid 3-sulfate",C24H38O7S,-2,0,0,,NaN,NaN,,"",,udca3s,,NaN,"",,"",,,,,NaN,,,,"",
udcpdp,"Undecaprenyl diphosphate",C55H89O7P2,-3,0,0,,NaN,NaN,HMDB0001469,"",,,,NaN,"",udcpdp,"",,cpd02229,MNXM5043,,NaN,,,,"",
udcpp,"Undecaprenyl phosphate",C55H89O4P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",udcpp,"",,cpd00286,MNXM251,,NaN,,,,"",
udoholcoa,"Ursodeoxycholoyl-CoA",C45H70N7O19P3S,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
udp,"Uridine 5'-diphosphate",C9H11N2O12P2,-3,404.1612,404.0021969,C00015,6031,17659,HMDB0000295,"UDP",udp,udp,FDB007509,5809,"UDP",udp,"UDP",,cpd00014,MNXM17,C00007313,NaN,58-98-0,,XCCTYIAWTASOJW-XVFCMESISA-K,"InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O
udpacgal,"Uridine diphosphate-N-acetylgalactosamine",C17H25N3O17P2,-2,607.3537,607.0815695,C00203,1167,NaN,HMDB0000304,"",udpacgal,udpacgal,FDB021933,1134,"UDP-N-ACETYL-GALACTOSAMINE",udpacgal,"",,cpd00175,MNXM162233,,5293,7277-98-7,,LFTYTUAZOPRMMI-CANYFDIJSA-L,"InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/p-2/t7-,8-,10-,11+,12-,13-,14-,15-,16?/m0/s1",[H]OC([H])([H])[C@@]1([H])OC([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=O)N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
udpg,"Uridine diphosphate glucose",C15H22N2O17P2,-2,566.3018,566.0550204,C00029,53477679,52249,HMDB0000286,"",udpg,udpg,FDB005660,8308,"UDP-GLUCOSE",udpg,"Uridine diphosphate glucose",,cpd00026,MNXM52,C00001514,5278,133-89-1,DTXSID00157902,HSCJRCZFDFQWRP-JZMIEXBBSA-L,"InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/p-2/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=O)N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
udpgal,"Uridine diphosphategalactose",C15H22N2O17P2,-2,566.3018,566.0550204,C00052,18068,67119,HMDB0000302,"",udpgal,udpgal,FDB021811,17069,"UDP-GLACTOSE",udpgal,"UDP-galactose",,cpd00043,MNXM89795,C00007390,5291,2956-16-3,,HSCJRCZFDFQWRP-ABVWGUQPSA-L,"InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/p-2/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@]([H])(OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]2([H])O[C@@]([H])(N3C([H])=C([H])C(=O)N([H])C3=O)[C@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
udpgalfur,"UDP-D-galacto-1,4-furanose",C15H22N2O17P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",udpgalfur,"",,cpd02338,MNXM2158,,NaN,,,,"",
udpglcur,"Uridine diphosphate glucuronic acid",C15H19N2O18P2,-3,580.2853,580.0342849,C00167,17473,17200,HMDB0000935,"",udpglcur,udpglcur,FDB022325,16522,"UDP-GLUCURONATE",udpglcur,"Uridine diphosphate glucuronic acid",,cpd00144,MNXM87,,5884,2616-64-0,,HDYANYHVCAPMJV-LXQIFKJMSA-K,"InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/p-3/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)O[C@@]2([H])O[C@]([H])(C([O-])=O)[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O
udprib,"UDP-Ribose",C14H20N2O17P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
udpxyl,"UDP-D-Xylose",C14H20N2O16P2,-2,536.2758,536.0444557,C00190,439179,16082,HMDB0001018,"",udpxyl,udpxyl,FDB005661,388324,"UDP-D-XYLOSE",udpxyl,"uridine",,,MNXM284,,5948,,,DQQDLYVHOTZLOR-FZBGIWSZSA-L,"InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/p-2/t5-,6-,8+,9-,10-,11-,12-,13-/m0/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)O[C@@]2([H])OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]2([H])O[H])[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O
uGgla,"UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine",C40H62N9O26P2,-3,0,0,,NaN,NaN,,"",,,,NaN,"",uGgla,"",,cpd02862,MNXM162383,,NaN,,,,"",
ugmd,"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate",C35H51N7O26P2,-4,0,0,,NaN,NaN,,"",,,,NaN,"",ugmd,"",,cpd02964,MNXM162592,,NaN,,,,"",
ugmda,"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine",C41H61N9O28P2,-4,0,0,,NaN,NaN,,"",,,,NaN,"",ugmda,"",,cpd02968,MNXM1954,,NaN,,,,"",
ump,"Uridine 5'-monophosphate",C9H11N2O9P,-2,324.1813,324.0358665,C00105,6030,16695,HMDB0000288,"",ump,ump,FDB007508,5808,"UMP",ump,"Uridine 5'-monophosphate",,cpd00091,MNXM80,C00007311,NaN,58-97-9,DTXSID20883211,DJJCXFVJDGTHFX-XVFCMESISA-L,"InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/p-2/t4-,6-,7-,8-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O
unaga,"Undecaprenyl diphospho N-acetyl-glucosamine",C63H103NO12P2,-2,0,0,,NaN,NaN,,"",,,,NaN,"",unaga,"",,cpd00946,MNXM1333,,NaN,,,,"",
undcoa,"Undecanoyl Coenzyme A",C32H52N7O17P3S,-4,0,0,,53481608,NaN,,"",undcoa,undcoa,,NaN,"",,"",,,,,NaN,,,IZWCGXGZGYKDHR-WMMBNDHFSA-J,"InChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h19-21,25-27,31,42-43H,4-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/t21-,25-,26-,27?,31-/m1/s1",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP([O-])([O-])=O
up4g,"P1,P4-Bis(5'-uridyl) tetraphosphate",C18H22N4O23P4,-4,790.3071,789.9938292,C06198,148197,27791,HMDB0006796,"",,,FDB024083,130647,"",,"",,cpd03706,,,NaN,,,NMLMACJWHPHKGR-NCOIDOBVSA-N,"",
uppg3,"Uroporphyrinogen III",C40H36N4O16,-8,836.7946,836.2752314,C01051,1179,15437,HMDB0001086,"",uppg3,uppg3,FDB022417,1146,"UROPORPHYRINOGEN-III",uppg3,"Uroporphyrinogen III",,cpd00774,MNXM414,C00007373,79,1976-85-8,DTXSID40173444,HUHWZXWWOFSFKF-UHFFFAOYSA-F,"InChI=1S/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h41-44H,1-16H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/p-8",[H]N1C2=C(C(=C1C([H])([H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C(=C(N1[H])C([H])([H])C1=C(C(=C(N1[H])C2([H])[H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O)C([H])([H])C([H])([H])C([O-])=O)C([H])([H])C([O-])=O
ura,"Uracil",C4H4N2O2,0,112.0868,112.0272774,C00106,1174,17568,HMDB0000300,"",ura,ura,FDB006426,1141,"URACIL",ura,"Uracil",DB03419,cpd00092,MNXM158,C00001513,258,66-22-8,DTXSID4021424,ISAKRJDGNUQOIC-UHFFFAOYSA-N,"InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",[H]N1C([H])=C([H])C(=O)N([H])C1=O
urate,"Uric acid",C5H4N4O3,0,168.1103,168.02834,C00366,1175,17775,HMDB0000289,"",urate,urate,FDB015350,1142,"URATE",urate,"Uric acid",DB01696,cpd00300,MNXM441,C00007301,88,69-93-2,DTXSID3042508,LEHOTFFKMJEONL-UHFFFAOYSA-N,"InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)",[H]N1C(=O)N([H])C2=C1N([H])C(=O)N([H])C2=O
urcan,"Urocanic acid",C6H5N2O2,-1,138.124,138.0429274,C00785,736715,30817,HMDB0000301,"",urcan,urcan,FDB000921,643824,"UROCANATE",urcan,"Urocanic acid",,cpd00581,MNXM700,C00051902,298,104-98-3,DTXSID5041148,LOIYMIARKYCTBW-UHFFFAOYSA-M,"InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/p-1",[H]N1C([H])=NC(C([H])=C([H])C([O-])=O)=C1[H]
urdgly,"Ureidoglycine",C3H7N3O3,0,0,0,C02091,5176,16282,,"",,,,NaN,"",,"",,cpd01419,,,63387,,,,"InChI=1S/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)",
urdglyc,"(-)-Ureidoglycolate",C3H5N2O4,-1,0,0,,NaN,NaN,HMDB0001005,"",,,,NaN,"",urdglyc,"",,cpd00465,MNXM490,,NaN,,,,"",
urea,"Urea",CH4N2O,0,60.0553,60.03236276,C00086,1176,16199,HMDB0000294,"",urea,urea,FDB012174,1143,"UREA",urea,"Urea",,cpd00073,MNXM117,C00007314,6,57-13-6,DTXSID4021426,XSQUKJJJFZCRTK-UHFFFAOYSA-N,"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",[H]N([H])C(=O)N([H])[H]
uri,"Uridine",C9H12N2O6,0,244.2014,244.0695361,C00299,6029,16704,HMDB0000296,"",uri,uri,FDB007411,5807,"URIDINE",uri,"Uridine",DB02745,cpd00249,MNXM288,C00019674,90,58-96-8,DTXSID40891555,DRTQHJPVMGBUCF-XVFCMESISA-N,"InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=C([H])C(=O)N([H])C2=O)[C@]([H])(O[H])[C@]1([H])O[H]
urscholcoa,"Ursodeoxycholyl Coenzyme A",C45H70N7O19P3S,-4,0,0,,NaN,NaN,,"",,urscholcoa,,NaN,"",,"",,,,,NaN,,,IIWDDMINEZBCTG-UHFFFAOYSA-J,"InChI=1S/C45H74N7O19P3S/c1-24(27-7-8-28-34-29(11-14-45(27,28)5)44(4)13-10-26(53)18-25(44)19-30(34)54)6-9-33(56)75-17-16-47-32(55)12-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20-31-37(70-72(60,61)62)36(57)42(69-31)52-23-51-35-39(46)49-22-50-40(35)52/h22-31,34,36-38,42,53-54,57-58H,6-21H2,1-5H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/p-4",[H]OC([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C2([H])C3([H])C([H])(O[H])C([H])([H])C4([H])C([H])([H])C([H])(O[H])C([H])([H])C([H])([H])C4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])C12C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP([O-])(=O)OP([O-])(=O)OC([H])([H])C1([H])OC([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])C([H])(O[H])C1([H])OP([O-])([O-])=O
utp,"Uridine triphosphate",C9H11N2O15P3,-4,484.1411,483.9685274,C00075,6133,15713,HMDB0000285,"",utp,utp,FDB021929,5903,"UTP",utp,"Uridine triphosphate",,cpd00062,MNXM121,C00050500,5277,63-39-8,DTXSID0041147,PGAVKCOVUIYSFO-XVFCMESISA-J,"InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/p-4/t4-,6-,7-,8-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=C([H])C(=O)N([H])C1=O
vacc,"Vaccenic acid",C18H33O2,-1,282.468,282.2558803,C08367,5281127,28727,HMDB0003231,"",vacc,vacc,FDB002952,4444571,"",vacc,"Vaccenic acid",,,MNXM92713,C00001240,3407,693-72-1,,UWHZIFQPPBDJPM-UHFFFAOYSA-N,"InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)",[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
vacccoa,"11Z-Octadecenoyl Coenzyme A",C39H64N7O17P3S,-4,0,0,,53477847,NaN,,"",vacccoa,vacccoa,,NaN,"",vacccoa,"",,,MNXM4868,,NaN,,,HEJOXXLSCAQQGQ-NPPGZUNGSA-N,"InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h9-10,26-28,32-34,38,49-50H,4-8,11-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b10-9-/t28-,32-,33-,34?,38-/m1/s1",[H]OC(=NC([H])([H])C([H])([H])SC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])N=C(O[H])C([H])(O[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C(N=C([H])N=C23)N([H])[H])[C@]([H])(O[H])[C@]1([H])OP(=O)(O[H])O[H]
vacccrn,"Octadecenoylcarnitine(7)",C25H47NO4,0,0,0,,53477830,NaN,,"",vacccrn,vacccrn,,NaN,"",vacccrn,"",,,MNXM9222,,NaN,,,FYTSXCMSQVVSOE-ZHACJKMWSA-N,"InChI=1S/C25H49NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-24(22-25(27)28)23-26(2,3)4/h10-11,24H,5-9,12-23H2,1-4H3/b11-10+",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])OC([H])(C([H])([H])C([O-])=O)C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
val_L,"L-Valine",C5H11NO2,0,117.1463,117.0789786,C00183,6287,16414,HMDB0000883,"",val_L,val_L,FDB000465,6050,"VAL",val__L,"valine",,cpd00156,MNXM199,C00001398,5842,72-18-4,DTXSID40883233,KZSNJWFQEVHDMF-BYPYZUCNSA-N,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",[H]C([H])([H])C([H])(C([H])([H])[H])[C@@]([H])(C([O-])=O)[N+]([H])([H])[H]
valarggly,"Valyl-Arginyl-Glycine",C13H27N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,COYSIHFOCOMGCF-WCBMZHEXSA-O,"InChI=1S/C13H26N6O4/c1-7(2)10(14)12(23)19-8(4-3-5-17-13(15)16)11(22)18-6-9(20)21/h7-8,10H,3-6,14H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)(H4,15,16,17)/p+1/t8-,10+/m0/s1",[H]OC(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
valhisasn,"Valyl-Histidyl-Asparagine",C15H24N6O5,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,OACSGBOREVRSME-HOSYDEDBSA-N,"InChI=1S/C15H24N6O5/c1-7(2)12(17)14(24)20-9(3-8-5-18-6-19-8)13(23)21-10(15(25)26)4-11(16)22/h5-7,9-10,12H,3-4,17H2,1-2H3,(H2,16,22)(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t9-,10+,12+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C(=O)N([H])[H]
valleuphe,"Valyl-Leucyl-Phenylalanine",C20H31N3O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,ZZGPVSZDZQRJQY-GVDBMIGSSA-N,"InChI=1S/C20H31N3O4/c1-12(2)10-15(22-19(25)17(21)13(3)4)18(24)23-16(20(26)27)11-14-8-6-5-7-9-14/h5-9,12-13,15-17H,10-11,21H2,1-4H3,(H,22,25)(H,23,24)(H,26,27)/t15-,16+,17+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
vallystyr,"Valyl-Lysyl-Tyrosine",C20H33N4O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,UOUIMEGEPSBZIV-GVDBMIGSSA-O,"InChI=1S/C20H32N4O5/c1-12(2)17(22)19(27)23-15(5-3-4-10-21)18(26)24-16(20(28)29)11-13-6-8-14(25)9-7-13/h6-9,12,15-17,25H,3-5,10-11,21-22H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)/p+1/t15-,16+,17+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
valphearg,"Valyl-Phenylalanyl-Arginine",C20H33N6O4,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,VNGKMNPAENRGDC-XHSDSOJGSA-O,"InChI=1S/C20H32N6O4/c1-12(2)16(21)18(28)26-15(11-13-7-4-3-5-8-13)17(27)25-14(19(29)30)9-6-10-24-20(22)23/h3-5,7-8,12,14-16H,6,9-11,21H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H4,22,23,24)/p+1/t14-,15+,16-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
valprotrp,"Valyl-Prolyl-Tryptophan",C21H28N4O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,NSUUANXHLKKHQB-BZSNNMDCSA-N,"InChI=1S/C21H28N4O4/c1-12(2)18(22)20(27)25-9-5-8-17(25)19(26)24-16(21(28)29)10-13-11-23-15-7-4-3-6-14(13)15/h3-4,6-7,11-12,16-18,23H,5,8-10,22H2,1-2H3,(H,24,26)(H,28,29)/t16-,17-,18-/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H]
valserarg,"Valyl-Seryl-Arginine",C14H29N6O5,1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,AJNUKMZFHXUBMK-AEJSXWLSSA-O,"InChI=1S/C14H28N6O5/c1-7(2)10(15)12(23)20-9(6-21)11(22)19-8(13(24)25)4-3-5-18-14(16)17/h7-10,21H,3-6,15H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)(H4,16,17,18)/p+1/t8-,9+,10-/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=[N+]([H])[H]
valtrpphe,"Valyl-Tryptophanyl-Phenylalanine",C25H30N4O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,LZRWTJSPTJSWDN-BHDDXSALSA-N,"InChI=1S/C25H30N4O4/c1-15(2)22(26)24(31)28-20(13-17-14-27-19-11-7-6-10-18(17)19)23(30)29-21(25(32)33)12-16-8-4-3-5-9-16/h3-11,14-15,20-22,27H,12-13,26H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)/t20-,21+,22+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
valtrpval,"Valyl-Tryptophanyl-Valine",C21H30N4O4,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,KJFBXCFOPAKPTM-RCCFBDPRSA-N,"InChI=1S/C21H30N4O4/c1-11(2)17(22)20(27)24-16(19(26)25-18(12(3)4)21(28)29)9-13-10-23-15-8-6-5-7-14(13)15/h5-8,10-12,16-18,23H,9,22H2,1-4H3,(H,24,27)(H,25,26)(H,28,29)/t16-,17+,18+/m0/s1",[H]OC(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C1C([H])=C([H])C([H])=C2[H])C([H])(C([H])([H])[H])C([H])([H])[H]
valval,"Valyl-Valine",C10H20N2O3,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,KRNYOVHEKOBTEF-JGVFFNPUSA-N,"InChI=1S/C10H20N2O3/c1-5(2)7(11)9(13)12-8(6(3)4)10(14)15/h5-8H,11H2,1-4H3,(H,12,13)(H,14,15)/t7-,8+/m0/s1",[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
vanillac,"Vanil-Lactate",C10H11O5,-1,0,0,,NaN,NaN,,"",,vanillac,,NaN,"",,"",,,,,NaN,,,SVYIZYRTOYHQRE-UHFFFAOYSA-M,"InChI=1S/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,11-12H,4H2,1H3,(H,13,14)/p-1",[H]OC1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])C([H])([H])C([H])(O[H])C([O-])=O
vanilpyr,"Vanilpyruvic Acid",C10H9O5,-1,210.1849976,210.0528234,,NaN,NaN,,"",,vanilpyr,,NaN,"",,"",,,,,NaN,1081-71-6,DTXSID10148407,YGQHQTMRZPHIBB-UHFFFAOYSA-M,"InChI=1S/C10H10O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,11H,4H2,1H3,(H,13,14)/p-1",[H]OC1=C(OC([H])([H])[H])C([H])=C(C([H])=C1[H])C([H])([H])C(=O)C([O-])=O
vitd2,"Ergocalciferol",C28H44O,0,396.6484,396.339216,C05441,5280793,28934,HMDB0000900,"",vitd2,,FDB012811,4444351,"VITAMIN_D_{2}",vitd2,"Ergocalciferol",DB00153,,MNXM163604,,5856,50-14-6,DTXSID5020233,MECHNRXZTMCUDQ-RKHKHRCZSA-N,"InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1",[H]O[C@]1([H])C([H])([H])\C(=C(/[H])\C(\[H])=C2/C([H])([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3([H])[C@@]([H])(C(\[H])=C(/[H])[C@]([H])(C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(=C([H])[H])C([H])([H])C1([H])[H]
vitd3,"Vitamin D3",C27H44O,0,384.6377,384.339216,C05443,10883523,283119,HMDB0000876,"",vitd3,vitd3,FDB012732,9058792,"VITAMIN_D_%7B3%7D",vitd3,"Vitamin D3",DB00169,,MNXM162562,C00041217,222,67-97-0,DTXSID6026294,QYSXJUFSXHHAJI-YRZJJWOYSA-N,"InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])\C(=C(/[H])C([H])=C2C([H])([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=C([H])[H])C([H])([H])C1([H])[H]
vldl_hs,"Very Low Density Lipoprotein",X,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
wharachd,"20-Hydroxyeicosatetraenoic acid",C20H31O3,-1,320.4663,320.2351449,C14748,5283157,34306,HMDB0005998,"",wharachd,wharachd,FDB023796,4446281,"",wharachd,"20-Hydroxyeicosatetraenoic_acid",,,MNXM22451,,NaN,79551-86-3,,NNDIXBJHNLFJJP-DTLRTWKJSA-M,"InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/p-1/b3-1-,6-4-,9-7-,12-10-",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
whddca,"12-Hydroxydodecanoic acid",C12H23O3,-1,216.3172,216.1725446,C08317,79034,39567,HMDB0002059,"",whddca,whddca,FDB022822,71366,"",whddca,"",,,MNXM12526,C00001219,6465,505-95-3,DTXSID90198521,ZDHCZVWCTKTBRY-UHFFFAOYSA-M,"InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15)/p-1",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
whhdca,"16-Hydroxy hexadecanoic acid",C16H30O3,-1,271.4155,271.2273199,,7058075,55329,HMDB0006294,"",whhdca,whhdca,FDB023882,5414440,"",whhdca,"",,,MNXM163605,,NaN,,,UGAGPNKCDRTDHP-UHFFFAOYSA-M,"InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)/p-1",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
whtststerone,"W Hydroxytestosterone",C19H28O3,0,0,0,,16395893,NaN,HMDB0060089,"",whtststerone,whtststerone,,NaN,"",whtststerone,"",,,MNXM92715,,NaN,,,YLTCTXBDDHSLCS-KOUJMVCDSA-N,"InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1",[H]OC([H])([H])[C@@]12C(=C([H])C(=O)C([H])([H])C1([H])[H])C([H])([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
whttdca,"Omega Hydroxy Tetradecanoate (N-C14:0)",C14H27O3,-1,0,0,,NaN,NaN,,"",whttdca,whttdca,,NaN,"",whttdca,"",,,MNXM12527,,NaN,,,JOSXCARTDOQGLV-UHFFFAOYSA-M,"InChI=1S/C14H28O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h15H,1-13H2,(H,16,17)/p-1",[H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([O-])=O
xan,"Xanthine",C5H4N4O2,0,152.1109,152.0334254,C00385,1188,17712,HMDB0000292,"",xan,xan,FDB001977,1151,"XANTHINE",xan,"Xanthine",DB02134,cpd00309,MNXM174,C00019660,82,69-89-6,DTXSID4035120,LRFVTYWOQMYALW-UHFFFAOYSA-N,"InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)",[H]N1C([H])=NC2=C1N([H])C(=O)N([H])C2=O
xmp,"Xanthylic acid",C10H11N4O9P,-2,364.2054,364.0420145,C00655,73323,15652,HMDB0001554,"",xmp,xmp,FDB022687,66054,"XANTHOSINE-5-PHOSPHATE",xmp,"XMP",,cpd00497,MNXM298,C00007396,NaN,523-98-8,,DCTLYFZHFGENCW-UUOKFMHZSA-L,"InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/p-2/t3-,5-,6-,9-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC2=C1N([H])C(=O)N([H])C2=O
xol24oh,"24-Hydroxycholesterol",C27H46O2,0,402.6529,402.3497807,C13550,121948,34310,HMDB0001419,"",xol24oh,xol24oh,FDB022611,108790,"CPD-7239",xol24oh,"",,cpd09461,MNXM9920,,NaN,474-73-7,,IOWMKBFJCNLRTC-XWXSNNQWSA-N,"InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
xol25oh,"25-Hydroxycholesterol",C27H46O2,0,402.6629944,402.3497807,,65094,NaN,,"",xol25oh,xol25oh,,NaN,"",xol25oh,"",,,MNXM852,,NaN,2140-46-7,DTXSID5044023,INBGSXNNRGWLJU-ZHHJOTBYSA-N,"InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
xol27oh,"27-Hydroxycholesterol",C27H46O2,0,402.6529,402.3497807,C06340,123976,387060,HMDB0002103,"",xol27oh,xol27oh,FDB022846,110495,"27-HYDROXYCHOLESTEROL",xol27oh,"",,,MNXM162720,,6487,20380-11-4,,FYHRJWMENCALJY-CCDZVGGQSA-N,"InChI=1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
xol7a,"7a-Hydroxycholesterol",C27H46O2,0,402.6529,402.3497807,C03594,53477732,17500,HMDB0001496,"",xol7a,xol7a,FDB022655,NaN,"CPD-266",xol7a,"",,,MNXM163606,,6280,,,MCKLJFJEQRYRQT-APGJSSKUSA-N,"InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
xol7ah,"7a-Hydroxy-5b-cholestan-3-one",C27H46O2,0,402.6529,402.3497807,C05451,53477905,2290,HMDB0006892,"",xol7ah,xol7ah,FDB024139,NaN,"",xol7ah,"",,cpd03234,MNXM163917,,NaN,,,HWOOALPDOJHOPO-YREUSXKVSA-N,"InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-19,21-25,29H,6-16H2,1-5H3/t18-,19+,21-,22+,23+,24-,25+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])[C@]2([H])C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]12[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
xol7ah2,"3a,7a-Dihydroxy-5b-cholestane",C27H48O2,0,404.6688,404.3654308,C05452,3080603,28047,HMDB0006893,"",xol7ah2,xol7ah2,FDB024140,2338356,"",xol7ah2,"",,,MNXM162780,,NaN,3862-26-8,,APYVEUGLZHAHDJ-RKKKAKDSSA-N,"InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m0/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C1([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
xol7ah2al,"3a,7a-Dihydroxy-5b-cholestan-26-al",C27H46O3,0,418.6523,418.3446953,C05445,53477906,27428,HMDB0006894,"",xol7ah2al,xol7ah2al,FDB024141,NaN,"",xol7ah2al,"",,cpd03228,MNXM162871,,NaN,,,YWGOKHMOJTZGBN-SOUOFJFXSA-N,"InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h16-25,29-30H,5-15H2,1-4H3/t17?,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m0/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C1([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])=O)C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
xol7ah3,"3 alpha,7 alpha,26-Trihydroxy-5beta-cholestane",C27H48O3,0,420.6682,420.3603454,C05444,53481409,28540,HMDB0012455,"",xol7ah3,xol7ah3,FDB029071,NaN,"",xol7ah3,"",,cpd03227,MNXM163607,,NaN,15313-69-6,,OQIJRBFRXGIHMI-SOUOFJFXSA-N,"InChI=1S/C27H48O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-25,28-30H,5-16H2,1-4H3/t17?,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m0/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
xol7aone,"7a-Hydroxy-cholestene-3-one",C27H44O2,0,400.6371,400.3341307,C05455,123743,17899,HMDB0001993,"",xol7aone,xol7aone,FDB022786,110306,"",xol7aone,"HCO",,cpd03238,MNXM162439,,6419,3862-25-7,DTXSID10191938,IOIZWEJGGCZDOL-RQDYSCIWSA-N,"InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C(=O)C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]12[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
xoldiolone,"7a,12a-Dihydroxy-cholestene-3-one",C27H44O3,0,416.6365,416.3290453,C05457,21252277,28477,HMDB0002197,"",xoldiolone,xoldiolone,FDB022899,13628315,"",xoldiolone,"",,,MNXM97103,,6539,,,UQPYXHJTHPHOMM-NIBOIBLTSA-N,"InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C2=C([H])C(=O)C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])[C@]([H])(O[H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]12[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
xoldioloneh,"7a,12a-Dihydroxy-5b-cholestan-3-one",C27H46O3,0,418.6523,418.3446953,C05453,53477903,2288,HMDB0006887,"",xoldioloneh,xoldioloneh,FDB024134,NaN,"",xoldioloneh,"",,cpd03236,MNXM163918,,NaN,,DTXSID00415291,HHVQPBXBALLUDF-QORHGLQKSA-N,"InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])[C@]2([H])C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])[C@]([H])(O[H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]12[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
xolest_hs,"Cholesterol Ester",C27H45XCO2,0,0,0,,NaN,NaN,,"",xolest_hs,xolest_hs,,NaN,"",xolest_hs,"",,,MNXM90954,,NaN,,,,"",[H]C1=C2C([H])([H])[C@@]([H])(OC([*])=O)C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3([H])C2([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
xolest181_hs,"1-Vaccenoyl-Cholesterol, Cholesterol-Ester (18:1, Delta 11)",C45H78O2,0,0,0,,NaN,NaN,,"",,xolest181_hs,,NaN,"",,"",,,,,NaN,,,BNQAKMBVXYXXED-OTAUEQBWSA-N,"InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h12-13,26,35-36,38-42H,7-11,14-25,27-34H2,1-6H3/b13-12+/t36-,38+,39+,40-,41+,42+,44+,45-/m0/s1",[H]\C(=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
xolest182_hs,"1-Linoleoyl-Cholesterol, Cholesterol-Ester (18:2, Delta 9, 12)",C45H76O2,0,0,0,,NaN,NaN,,"",,xolest182_hs,,NaN,"",,"",,,,,NaN,,,NAACPBBQTFFYQB-DOMLJQEXSA-N,"InChI=1S/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3/b12-11-,15-14+/t36-,38+,39+,40-,41+,42+,44+,45-/m0/s1",[H]\C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
xolest183_hs,"CE(18:3(6Z,9Z,12Z))",C45H74O2,0,647.0679,646.5688816,,53480458,88756,HMDB0010369,"",,xolest183_hs,FDB027521,NaN,"",,"",,,,,NaN,,,GOHHVMNZYOLIPQ-GHOVPUJYSA-N,"InChI=1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,17-18,26,35-36,38-42H,7-10,13,16,19-25,27-34H2,1-6H3/t36-,38+,39?,40?,41?,42?,44+,45-/m1/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])C3([H])C4([H])C([H])([H])C([H])([H])C([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
xolest2_hs,"Cholesterol Ester",C27H45FULLR2CO2,0,0,0,,NaN,NaN,,"",xolest2_hs,xolest2_hs,,NaN,"",xolest2_hs,"",,,MNXM10930,,NaN,,,,"",[H]C1=C2C([H])([H])[C@@]([H])(OC([*])=O)C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])C2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])(C([H])([H])C([H])([H])C3([H])C2([H])C1([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
xolest204_hs,"Cholesteryl Arachidonate, Cholesterol-Ester (20:4, Delta 5,8,11,14)",C47H76O2,0,0,0,,NaN,NaN,,"",,xolest204_hs,,NaN,"",,"",,,,,NaN,,,IMXSFYNMSOULQS-ZSHIVWLMSA-N,"InChI=1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/b12-11-,15-14-,18-17?,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
xolest205_hs,"1-Timnodnoyl-Cholesterol, Cholesterol-Ester (20:5, Delta 5,8,11,14,17)",C47H74O2,0,0,0,,NaN,NaN,,"",,xolest205_hs,,NaN,"",,"",,,,,NaN,,,XZFUGMCJZFRBKF-WTILQNAVSA-N,"InChI=1S/C47H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h8-9,11-12,14-15,17-18,20-21,28,37-38,40-44H,7,10,13,16,19,22-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-,18-17?,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m0/s1",[H]\C(=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])[H]
xolest226_hs,"Cholesteryl Docosahexanoate, Cholesterol-Ester (22:6, Delta 4,7,10,13,16,19)",C49H76O2,0,0,0,,NaN,NaN,,"",,xolest226_hs,,NaN,"",,"",,,,,NaN,,,VOEVEGPMRIYYKC-LFHFTWSPSA-N,"InChI=1S/C49H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7,10,13,16,19,22,25-29,31-38H2,1-6H3/b9-8+,12-11+,15-14+,18-17+,21-20+,24-23-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1",[H]\C(=C(\[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(/[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H]
xoltetrol,"27-Deoxy-5b-cyprinol",C27H48O4,0,0,0,C05446,193321,17278,HMDB0001231,"",xoltetrol,xoltetrol,FDB022502,167758,"5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL",xoltetrol,"",,,MNXM163006,,6095,,,XJZGNVBLVFOSKJ-XZULNKEGSA-N,"InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])([H])[C@]4([H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])[C@]([H])(O[H])[C@]12C([H])([H])[H]
xoltri24,"(24S)-7Alpha,24-Dihydroxycholesterol",C27H46O3,0,0,0,,11954196,NaN,,"",xoltri24,xoltri24,,NaN,"",xoltri24,"",,cpd11198,MNXM8206,,NaN,,,ZNCHPOYZMVVJCK-UCJAYVHQSA-N,"InChI=1S/C27H46O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-25,28-30H,6-14H2,1-5H3/t17-,19+,20-,21+,22+,23+,24-,25+,26+,27-/m0/s1",[H]O[C@@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
xoltri25,"7-a,25-Dihydroxycholesterol",C27H46O3,0,418.6523,418.3446953,C15520,11954197,37623,HMDB0006280,"",xoltri25,xoltri25,FDB023874,10128492,"CPD-7243",xoltri25,"",,,MNXM163608,,NaN,64907-22-8,,BQMSKLCEWBSPPY-IKVTXIKFSA-N,"InChI=1S/C27H46O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h16-17,19-24,28-30H,6-15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])=C2C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]3([H])[C@]12[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H]
xoltri27,"7-a,27-Dihydroxycholesterol",C27H46O3,0,0,0,C06341,440985,18431,HMDB0006281,"",xoltri27,xoltri27,FDB023875,389810,"CPD-7243",xoltri27,"",,,MNXM162781,,NaN,,,RXMHNAKZMGJANZ-DTTSCKGMSA-N,"InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1",[H]OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])[C@]([H])(O[H])C([H])=C4C([H])([H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
xoltriol,"5-b-Cholestane-3a ,7a ,12a-triol",C27H48O3,0,420.6682,420.3603454,C05454,160520,16496,HMDB0001457,"",xoltriol,xoltriol,FDB022635,141053,"",xoltriol,"",,,MNXM162782,,6254,,,RIVQQZVHIVNQFH-XJZYBRFWSA-N,"InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1",[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C1([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]21[H]
xser,"Xyl-L-Ser (Protein)",C5H9O4X,0,0,0,C02399,NaN,NaN,,"",xser,xser,,NaN,"",xser,"",,,MNXM9241,,NaN,,,,"",[H]O[C@]1([H])C([H])([H])O[C@@]([H])(OC([H])([H])[C@]([H])(N([H])C([*])=O)C(=O)N([H])[*])[C@]([H])(O[H])[C@@]1([H])O[H]
xtp,"Xanthosine 5-triphosphate",C10H11N4O15P3,-4,524.1652,523.9746754,C00700,439296,10049,HMDB0000293,"",xtp,,FDB021932,388429,"",xtp,"Xanthosine_triphosphate",,,MNXM1860,,NaN,6253-56-1,,CAEFEWVYEZABLA-UUOKFMHZSA-J,"InChI=1S/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18)/p-4/t3-,5-,6-,9-/m1/s1",[H]O[C@@]1([H])[C@@]([H])(O[C@]([H])(C([H])([H])OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@]1([H])O[H])N1C([H])=NC2=C1N([H])C(=O)N([H])C2=O
xtsn,"Xanthosine",C10H12N4O6,0,284.2255,284.0756841,C01762,64959,18107,HMDB0000299,"",xtsn,xtsn,FDB001604,58484,"",xtsn,"Xanthosine",,cpd01217,MNXM687,C00007222,3408,146-80-5,,UBORTCNDUKBEOP-UUOKFMHZSA-N,"InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1",[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(N2C([H])=NC3=C2N([H])C(=O)N([H])C3=O)[C@]([H])(O[H])[C@]1([H])O[H]
xu1p_D,"D-Xylulose 1-phosphate",C5H9O8P,-2,230.1098,230.0191538,,14844436,71687,HMDB0006534,"",xu1p_D,xu1p_D,FDB023963,18540499,"D-RIBULOSE-1-P",xu1p__D,"",,,MNXM59594,,NaN,63323-91-1,,NBOCCPQHBPGYCX-NQXXGFSBSA-L,"InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3,5-7,9H,1-2H2,(H2,10,11,12)/p-2/t3-,5-/m1/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@@]([H])(O[H])C(=O)C([H])([H])OP([O-])([O-])=O
xu1p_L,"L-Xylulose 1-phosphate",C5H9O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd03861,,,NaN,,,,"",
xu5p_D,"Xylulose 5-phosphate",C5H9O8P,-2,230.1098,230.0191538,C00231,439190,16332,HMDB0000868,"",xu5p_D,xu5p_D,FDB022290,388330,"XYLULOSE-5-PHOSPHATE",xu5p__D,"Xylulose 5-phosphate",,cpd00198,MNXM186,C00019693,5829,4212-65-1,,FNZLKVNUWIIPSJ-RFZPGFLSSA-L,"InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/p-2/t4-,5-/m1/s1",[H]OC([H])([H])C(=O)[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])OP([O-])([O-])=O
xu5p_L,"L-Xylulose 5-phosphate",C5H9O8P,-2,0,0,,NaN,NaN,,"",,,,NaN,"",xu5p__L,"",,cpd02100,MNXM1238,,NaN,,,,"",
xyl_D,"D-Xylose",C5H10O5,0,150.1299,150.0528234,C00181,135191,53455,HMDB0000098,"",xyl_D,xyl_D,FDB001136,119104,"XYLOSE",xyl__D,"Wood sugar",,cpd00154,MNXM348,C00007290,314,58-86-6,DTXSID0023745,PYMYPHUHKUWMLA-VPENINKCSA-N,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1",[H]OC([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])=O
xylan,"Oat spelt xylan, MW 79200 (DOI: 10.1002/masy.200551405) = 528 xyl_D",C2640H4226O2113,0,0,0,G00279,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
xylhl_L,"L-xylo-Hexulonolactone",C6H8O6,0,0,0,C03289,439966,73681,,"",,,,NaN,"",,"",,cpd02098,,,341,,,,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5,7-9H,1H2/t2-,3+,5+/m0/s1",
xyllac_D,"D-Xylonolactone",C5H8O5,0,0,0,,NaN,NaN,HMDB0011676,"",,,,NaN,"",,"",,cpd01527,,,NaN,,,,"",
xylnt,"L-Xylonate",C5H9O6,-1,166.1293,166.0477381,C05411,6971043,48092,HMDB0060256,"",xylnt,,,5341922,"",xylnt,"",,,MNXM169422,,NaN,,,QXKAIJAYHKCRRA-NUNKFHFFSA-M,"InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/p-1/t2-,3+,4-/m0/s1",[H]OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([O-])=O
xylt,"D-Xylitol",C5H12O5,0,152.1458,152.0684735,C00379,6912,1305691,HMDB0002917,"",xylt,xylt,FDB001134,21391692,"CPD-496",xylt,"",,cpd00306,MNXM510,,NaN,87-99-0,DTXSID7042514,HEBKCHPVOIAQTA-SCDXWVJYSA-N,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+",[H]OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H]
xylt_D,"D-Xylonate",C5H9O6,-1,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,cpd00391,,,NaN,,,,"",
xylu_D,"D-Xylulose",C5H10O5,0,150.1299,150.0528234,C00310,5289590,17140,HMDB0001644,"",xylu_D,xylu_D,FDB022698,4451524,"D-XYLULOSE",xylu__D,"Xylulose",,cpd00259,MNXM597,C00019684,6333,551-84-8,DTXSID70415364,ZAQJHHRNXZUBTE-WUJLRWPWSA-N,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1",[H]OC([H])([H])C(=O)[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])O[H]
xylu_L,"L-Threo-2-pentulose",C5H10O5,0,150.1299,150.0528234,C00312,22253,17399,HMDB0000751,"",xylu_L,xylu_L,FDB022223,20892,"",xylu__L,"L-Xylulose",,cpd00261,MNXM597,,5719,527-50-4,,ZAQJHHRNXZUBTE-WVZVXSGGSA-N,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m0/s1",[H]OC([H])([H])C(=O)[C@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])O[H]
xyluglc,"Xyluglucan, PMID:16663672, Fry SC 1989. 600 glc_D, 360 xyl_D, 108 gal, 60 fuc_L, 6 arab_L",C6438H10610O5245,0,0,0,,NaN,NaN,,"",,,,NaN,"",,"",,,,,NaN,,,,"",
yvite,"(+)-Gama-Tocopherol",C28H48O2,0,0,0,,92729,NaN,,"",yvite,yvite,,NaN,"",yvite,"",,,MNXM2522,,NaN,,,QUEDXNHFTDJVIY-DQCZWYHMSA-N,"InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1",[H]OC1=C(C(=C2O[C@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2=C1[H])C([H])([H])[H])C([H])([H])[H]
zn2,"Zinc (II) ion",Zn,2,65.409,63.92914658,C00038,32051,29105,HMDB0001303,"",,,FDB003729,29723,"ZN%2b2",zn2,"Zinc",,cpd00034,MNXM149,,NaN,7440-66-6,DTXSID7035012,PTFCDOFLOPIGGS-UHFFFAOYSA-N,"InChI=1S/Zn/q+2",
zym_int2,"Zymosterol Intermediate 2",C27H42O,0,0,0,,22298942,NaN,,"",zym_int2,zym_int2,,NaN,"",zym_int2,"",,,MNXM97119,,NaN,,,AUNLIRXIJAVBNM-ZMKODQQDSA-N,"InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-20,23-24H,6,8-17H2,1-5H3/t19-,20+,23-,24+,26+,27-/m0/s1",[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C3=C(C([H])([H])C([H])([H])[C@]12C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C([H])([H])[C@]1([H])C([H])([H])C3([H])[H]
zymst,"Zymosterol intermediate 2",C27H44O,0,384.6377,384.339216,C05437,92746,18252,HMDB0006271,"",zymst,zymst,FDB023869,83724,"",zymst,"",,cpd03221,MNXM574,C00023749,NaN,128-33-6,,CGSJXLIKVBJVRY-XTGBIJOFSA-N,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-21,23-24,28H,6,8-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C3=C(C([H])([H])C([H])([H])[C@@]2([H])C1([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])[H]
zymstnl,"5a-Cholest-8-en-3b-ol",C27H46O,0,386.6535,386.3548661,C03845,101770,16608,HMDB0006841,"",zymstnl,zymstnl,FDB024114,91952,"CPD-8621",zymstnl,"",,,MNXM2494,C00033775,NaN,566-97-2,DTXSID30205162,QETLKNDKQOXZRP-XTGBIJOFSA-N,"InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1",[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C3=C(C([H])([H])C([H])([H])[C@@]2([H])C1([H])[H])[C@]1([H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C3([H])[H])C([H])([H])[H]
