Identifier,CompoundName,MolecularFormula,InChI,InChIKey,SMILES,ChEBI_neutral,KEGG_neutral,HMDB_neutral,LipidMaps_neutral,Wikidata_neutral,PubChem_neutral,ChemSpider_neutral,DTXSID
WJ000001,10-formyltetrahydrofolic acid,C20H23N7O7,"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)/t11-,13+/m1/s1",AUFGTPPARQZWDO-YPMHNXCESA-N,[H]C(=O)N(C[C@H]1CNC2=C(N1)C(=O)NC(N)=N2)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,CHEBI:15637,,,,Q27098160,6326742,4885489,
WJ000002,"(R)-propane-1,2-diol",C3H8O2,"InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1",DNIAPMSPPWPWGF-GSVOUGTGSA-N,C[C@@H](O)CO,CHEBI:28972,C02912,,,Q27093218,259994,228188,DTXSID201009429
WJ000003,3-phospho-D-glyceroyl dihydrogen phosphate,C3H8O10P2,"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)/t2-/m1/s1",LJQLQCAXBUHEAZ-UWTATZPHSA-N,O[C@H](COP(O)(O)=O)C(=O)OP(O)(O)=O,CHEBI:16001,C00236,,,Q27098334,439191,388331,
WJ000004,19-hydroxyicosanoic acid,C20H40O3,"InChI=1S/C20H40O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)",NRYRXKPIZDFLGD-UHFFFAOYSA-N,CC(O)CCCCCCCCCCCCCCCCCC(O)=O,,,,,,,,
WJ000005,1-methylnicotinamide,C7H9N2O,"InChI=1S/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1",LDHMAVIPBRSVRG-UHFFFAOYSA-O,C[N+]1=CC(=CC=C1)C(N)=O,CHEBI:16797,C02918,HMDB0000699;HMDB00699,,Q27088080,457,444,DTXSID10185019
WJ000006,"(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic acid",C5H7NO3,"InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h2-4,7H,1H2,(H,8,9)/t3-,4+/m1/s1",WFOFKRKDDKGRIK-DMTCNVIQSA-N,[H][C@]1(C[C@@H](O)C=N1)C(O)=O,CHEBI:6151,C04281,HMDB0062585;HMDB62585,,Q27107108,11966267,10140260,
WJ000007,(S)-1-pyrroline-5-carboxylic acid,C5H7NO2,"InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)/t4-/m0/s1",DWAKNKKXGALPNW-BYPYZUCNSA-N,[H][C@]1(CCC=N1)C(O)=O,CHEBI:371,C03912,,,Q27105294,440162,389153,DTXSID10331473
WJ000008,20-HETE,C20H32O3,"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)/b3-1-,6-4-,9-7-,12-10-",NNDIXBJHNLFJJP-DTLRTWKJSA-N,OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,CHEBI:34306,C14748,HMDB0005998;HMDB05998,LMFA03060009,Q21099666,5283157,4446281,DTXSID601009895
WJ000009,20-hydroxyicosanoic acid,C20H40O3,"InChI=1S/C20H40O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h21H,1-19H2,(H,22,23)",JLDIWYKSFMPIDW-UHFFFAOYSA-N,OCCCCCCCCCCCCCCCCCCCC(O)=O,CHEBI:79190,,,LMFA01050075,Q27148258,5282919,4446046,
WJ000010,20-hydroxyhenicosanoic acid,C21H42O3,"InChI=1S/C21H42O3/c1-20(22)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21(23)24/h20,22H,2-19H2,1H3,(H,23,24)",KEELWVJBLPISGL-UHFFFAOYNA-N,CC(O)CCCCCCCCCCCCCCCCCCC(O)=O,,,,,,,,
WJ000011,21-hydroxyhenicosanoic acid,C21H42O3,"InChI=1S/C21H42O3/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23)24/h22H,1-20H2,(H,23,24)",NENJNFMRWQAPAC-UHFFFAOYSA-N,OCCCCCCCCCCCCCCCCCCCCC(O)=O,CHEBI:79195,,,LMFA01050076,Q27148262,5282920,4446047,
WJ000012,SAICAR,C13H19N4O12P,"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)/t4-,5+,8+,9+,12+/m0/s1",NAQGHJTUZRHGAC-ZZZDFHIKSA-N,[H][C@]1(COP(O)(O)=O)O[C@]([H])([C@H](O)[C@@H]1O)N1C=NC(C(=O)N[C@@H](CC(O)=O)C(O)=O)=C1N,CHEBI:18319,C04823,HMDB0000797;HMDB00797,,Q3502778,160666,141175,DTXSID90184404
WJ000013,L-2-amino-3-oxobutanoic acid,C4H7NO3,"InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)/t3-/m0/s1",SAUCHDKDCUROAO-VKHMYHEASA-N,CC(=O)[C@@H](C(=O)O)N,,,,,,,,
WJ000014,leucodopachrome,C9H9NO4,"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)/t6-/m0/s1",JDWYRSDDJVCWPB-LURJTMIESA-N,OC(=O)[C@@H]1CC2=CC(O)=C(O)C=C2N1,CHEBI:60872,C05604,HMDB04067;HMDB0004067,,Q15491505,161255,141655,DTXSID80172072
WJ000015,2-deoxy-D-ribose,C5H10O4,"InChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2/t4-,5+/m0/s1",ASJSAQIRZKANQN-CRCLSJGQSA-N,OC[C@@H](O)[C@@H](O)CC=O,,,,,Q27887395,5460005,4573703,DTXSID70883428
WJ000016,2-deoxy-alpha-D-ribose 1-phosphate,C5H11O7P,"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)/t3-,4+,5+/m0/s1",KBDKAJNTYKVSEK-VPENINKCSA-N,OC[C@H]1O[C@@H](C[C@@H]1O)OP(O)(O)=O,CHEBI:11563,C00672,,,Q27108892,5460448,4573972,
WJ000017,2-deoxy-D-ribose 5-phosphate,C5H11O7P,"InChI=1S/C5H11O7P/c6-2-1-4(7)5(8)3-12-13(9,10)11/h2,4-5,7-8H,1,3H2,(H2,9,10,11)/t4-,5+/m0/s1",ALQNUOMIEBHXQG-CRCLSJGQSA-N,O[C@H](COP(O)(O)=O)[C@@H](O)CC=O,CHEBI:16132,,HMDB01031,,Q27098393,150629,132775,DTXSID00227659
WJ000018,2-hydroxybutyric acid,C4H8O3,"InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)",AFENDNXGAFYKQO-UHFFFAOYSA-N,CCC(O)C(O)=O,CHEBI:1148,C05984,HMDB00008;HMDB0000008,LMFA01050004,Q3288610,11266,10792,DTXSID8041903
WJ000019,(S)-2-hydroxyglutaric acid,C5H8O5,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1",HWXBTNAVRSUOJR-VKHMYHEASA-N,O[C@@H](CCC(O)=O)C(O)=O,CHEBI:380;CHEBI:32797,C03196,HMDB0000694;HMDB00694,,Q27104223,439939,388969,
WJ000020,(2-hydroxyphenyl)acetic acid,C8H8O3,"InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",CCVYRRGZDBSHFU-UHFFFAOYSA-N,OC(=O)CC1=CC=CC=C1O,CHEBI:28478,C05852,HMDB00669;HMDB0000669,,Q27103728,11970,11476,DTXSID1060633
WJ000021,4-methylthio-2-oxobutanoic acid,C5H8O3S,"InChI=1S/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)",SXFSQZDSUWACKX-UHFFFAOYSA-N,CSCCC(=O)C(O)=O,CHEBI:33574,C01180,HMDB0001553;HMDB01553,LMFA01060170,Q27093278,473,460,DTXSID50207027
WJ000022,2-methylacetoacetyl-CoA,C26H42N7O18P3S,"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)/t13?,15-,18-,19-,20+,24-/m1/s1",NHNODHRSCRALBF-NQNBQJKNSA-N,CC(C(C)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,,,,,,,
WJ000023,2-methylcrotonoyl-CoA,C26H42N7O17P3S,"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)/b14-5+/t15-,18-,19-,20+,24-/m1/s1",PMWATMXOQQZNBX-DKBZLLMOSA-N,C\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15478;CHEBI:1204,,HMDB02054,LMFA07050191,Q3528332,6443760,4947725,
WJ000024,2-methylbutanoyl-CoA,C26H44N7O17P3S,"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)/t14?,15-,18-,19-,20+,24-/m1/s1",LYNVNYDEQMMNMZ-XGXNYEOVSA-N,CCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:1201;CHEBI:15477,C01033,HMDB01041,LMFA07050190,Q27089462,11966141,10140135,
WJ000025,2-methyl-3-oxopropanoic acid,C4H6O3,"InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)",VOKUMXABRRXHAR-UHFFFAOYSA-N,CC(C=O)C(O)=O,CHEBI:16256,C00349,HMDB01172;HMDB0001172,LMFA01060193,Q2823209,296,290,DTXSID60274265
WJ000026,methacrylyl-CoA,C25H40N7O17P3S,"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)/t14-,17-,18-,19+,23-/m1/s1",NPALUEYCDZWBOV-NDZSKPAWSA-N,CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:1208;CHEBI:27754,C03460,,LMFA07050350,Q28487605,165390,,
WJ000027,2-oxobutanoic acid,C4H6O3,"InChI=1S/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)",TYEYBOSBBBHJIV-UHFFFAOYSA-N,CCC(=O)C(O)=O,CHEBI:30831,C00109,HMDB0000005;HMDB00005,LMFA01060002,Q209457,58,57,DTXSID9060524
WJ000028,2-oxoadipic acid,C6H8O5,"InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)",FGSBNBBHOZHUBO-UHFFFAOYSA-N,OC(=O)CCCC(=O)C(O)=O,CHEBI:15753,C00322,HMDB0000225;HMDB00225,LMFA01170121,Q2823207,71,70,DTXSID20185702
WJ000029,2-phospho-D-glyceric acid,C3H7O7P,"InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1",GXIURPTVHJPJLF-UWTATZPHSA-N,OC[C@@H](OP(O)(O)=O)C(O)=O,CHEBI:17835,C00631,HMDB03391;HMDB0003391,,,439278,388411,
WJ000030,2-phosphoglycolic acid,C2H5O6P,"InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)",ASCFNMCAHFUBCO-UHFFFAOYSA-N,OC(=O)COP(O)(O)=O,CHEBI:17150;CHEBI:11652;CHEBI:19764,C00988,HMDB00816;HMDB0000816,,Q2823206,529,514,DTXSID60157064
WJ000031,trans-hexadec-2-enal,C16H30O,"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/b15-14+",KLJFYXOVGVXZKT-CCEZHUSRSA-N,[H]C(=O)\C=C\CCCCCCCCCCCCC,CHEBI:19791;CHEBI:17585,C06123,HMDB0060482;HMDB60482,LMFA06000089,Q27102466,5280541,4444172,
WJ000032,"3,4-dihydroxymandelaldehyde",C8H8O4,"InChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H",YUGMCLJIWGEKCK-UHFFFAOYSA-N,[H]C(=O)C(O)C1=CC(O)=C(O)C=C1,CHEBI:1382;CHEBI:27852;CHEBI:19883,C05577,HMDB0006242;HMDB06242,,Q27103374,151725,21232458;133725,DTXSID30897223
WJ000033,"3,4-dihydroxyphenylethyleneglycol",C8H10O4,"InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2",MTVWFVDWRVYDOR-UHFFFAOYSA-N,OCC(O)C1=CC(O)=C(O)C=C1,CHEBI:1387,C05576,HMDB00318;HMDB0000318,,Q262270,91528,82648,DTXSID20865451
WJ000034,"3,4-dihydroxyphenylacetaldehyde",C8H8O3,"InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2",IADQVXRMSNIUEL-UHFFFAOYSA-N,[H]C(=O)CC1=CC=C(O)C(O)=C1,CHEBI:27978,C04043,HMDB03791;HMDB0003791,,Q4634065,119219,106504,DTXSID10205680
WJ000035,"3,4-dihydroxyphenylacetic acid",C8H8O4,"InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)",CFFZDZCDUFSOFZ-UHFFFAOYSA-N,OC(=O)CC1=CC(O)=C(O)C=C1,CHEBI:41941,C01161,HMDB0001336;HMDB01336,,Q4634071,547,532,DTXSID9074430
WJ000036,L-dopa,C9H11NO4,"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",WTDRDQBEARUVNC-LURJTMIESA-N,N[C@@H](CC1=CC=C(O)C(O)=C1)C(O)=O,CHEBI:15765,C00355,HMDB00181;HMDB0000181,,Q300989,6047,5824,DTXSID9023209
WJ000037,3-(4-hydroxyphenyl)lactic acid,C9H10O4,"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)",JVGVDSSUAVXRDY-UHFFFAOYSA-N,OC(CC1=CC=C(O)C=C1)C(O)=O,CHEBI:17385,C03672,HMDB0000755;HMDB00755,,,9378,9010,
WJ000038,(4-hydroxyphenyl)pyruvic acid,C9H8O4,"InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)",KKADPXVIOXHVKN-UHFFFAOYSA-N,OC(=O)C(=O)CC1=CC=C(O)C=C1,CHEBI:15999;CHEBI:20426,C01179,HMDB00707;HMDB0000707,,Q2823224,979,954,DTXSID80166017
WJ000039,"3',5'-cyclic GMP",C10H12N5O7P,"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)/t3-,5-,6-,9-/m1/s1",ZOOGRGPOEVQQDX-UUOKFMHZSA-N,NC1=NC2=C(N=CN2[C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)C(=O)N1,CHEBI:16356,C00942,HMDB0001314;HMDB01314,,Q422511,24316,22734,DTXSID8040646
WJ000040,"3,5-diiodo-L-tyrosine",C9H9I2NO3,"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",NYPYHUZRZVSYKL-ZETCQYMHSA-N,N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(O)=O,CHEBI:15768,C01060,HMDB0003474;HMDB03474,,Q410521,9305;6181,8946,DTXSID0048680
WJ000041,(R)-3-aminoisobutyric acid,C4H9NO2,"InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1",QCHPKSFMDHPSNR-GSVOUGTGSA-N,C[C@H](CN)C(O)=O,CHEBI:16320,C01205,HMDB0002299;HMDB02299,LMFA01100049,Q27101849,5459822,4573585,DTXSID70420079
WJ000042,(25S)-3alpha-hydroxy-5alpha-cholest-7-en-26-oic acid,C27H44O3,"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/h9,17-20,22-24,28H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,20-,22-,23+,24+,26+,27-/m1/s1",WWAMLGNSINNDPI-NDGCQPAQSA-N,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC[C@H](C)C(O)=O,CHEBI:83149,,,,Q27156667,86290042,34448700,
WJ000043,3-dehydro-L-gulonic acid,C6H10O7,"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)/t2-,3+,5-/m0/s1",WTAHRPBPWHCMHW-LWKDLAHASA-N,OC[C@H](O)[C@@H](O)C(=O)[C@H](O)C(O)=O,CHEBI:11777;CHEBI:16142,C00618,HMDB0006334;HMDB06334,,Q27098398,439273,388406,
WJ000044,3-demethylubiquinol-9,C53H82O4,"InChI=1S/C53H82O4/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)50(54)52(56)53(57-12)51(49)55/h21,23,25,27,29,31,33,35,37,54-56H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+",ALAJATOGWWBPQT-NSCWJZNLSA-N,COC1=C(O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C(O)=C1O,CHEBI:84423,,,,Q27157747,86583403,34999437,
WJ000045,"3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate",C6H19O27P7,"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)/t1-,2-,3+,4-,5-,6-/m0/s1",UPHPWXPNZIOZJL-PTQMNWPWSA-N,OP(O)(=O)O[C@H]1[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@@H]1OP(O)(O)=O,CHEBI:62922,C11174,HMDB0012494;HMDB12494,,Q27132282,,26332921,
WJ000046,3-dehydrosphinganine,C18H37NO2,"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/t17-/m0/s1",KBUNOSOGGAARKZ-KRWDZBQOSA-N,CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO,CHEBI:17862,C02934,HMDB01480;HMDB0001480,LMSP01020002,Q27073739,439853,388895,
WJ000047,3-hydroxyanthranilic acid,C7H7NO3,"InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)",WJXSWCUQABXPFS-UHFFFAOYSA-N,NC1=C(O)C=CC=C1C(O)=O,CHEBI:15793,C00632,HMDB0001476;HMDB01476,,Q2823213,86,84,DTXSID40203290
WJ000048,(S)-3-hydroxybutanoyl-CoA,C25H42N7O18P3S,"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)/t13-,14+,18+,19+,20-,24+/m0/s1",QHHKKMYHDBRONY-VKBDFPRVSA-N,C[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:394;CHEBI:15453,C01144,,LMFA07050153,Q27089442,9543037,7822010,
WJ000049,(R)-3-hydroxybutanoyl-CoA,C25H42N7O18P3S,"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)/t13-,14-,18-,19-,20+,24-/m1/s1",QHHKKMYHDBRONY-WZZMXTMRSA-N,C[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15452;CHEBI:323,C03561,HMDB01166,LMFA07050148,Q27089441,11966146,10140140,
WJ000050,(S)-3-hydroxyisobutyryl-CoA,C25H42N7O18P3S,"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)/t13-,14+,17+,18+,19-,23+/m0/s1",WWEOGFZEFHPUAM-UQCJFRAESA-N,C[C@@H](CO)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:28259;CHEBI:399,C06000,HMDB01052,LMFA07050157,Q27103588,11966163,10140156,
WJ000051,3-hydroxyisovaleryl-CoA,C26H44N7O18P3S,"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)/t14-,18-,19-,20+,24-/m1/s1",PEVZKILCBDEOBT-CITAKDKDSA-N,CC(C)(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:28291,,HMDB06870,LMFA07050222,Q27103612,11966188,10140181,
WJ000052,"(2S,3S)-3-hydroxy-2-methylbutanoyl-CoA",C26H44N7O18P3S,"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)/t13-,14-,15+,18+,19+,20-,24+/m0/s1",PEKYNTFSOBAABV-LQUDNSJZSA-N,C[C@H](O)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15449;CHEBI:191,C04405,HMDB01356,LMFA07050109,Q27089440,11966220,10140213,
WJ000053,3-hydroxyisobutyric acid,C4H8O3,"InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)",DBXBTMSZEOQQDU-UHFFFAOYSA-N,CC(CO)C(O)=O,CHEBI:18064;CHEBI:11805,C01188,HMDB0062640;HMDB62640;HMDB0126088,,Q2823215,11966314;87,85,
WJ000054,3-hydroxypropanoyl-CoA,C24H40N7O18P3S,"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)/t13-,17-,18-,19+,23-/m1/s1",BERBFZCUSMQABM-IEXPHMLFSA-N,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCO,CHEBI:27762,C05668,,LMFA07050226,Q27103311,11966171,10140164,
WJ000055,3-hydroxypropionic acid,C3H6O3,"InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)",ALRHLSYJTWAHJZ-UHFFFAOYSA-N,OCCC(O)=O,CHEBI:33404,C01013,HMDB0000700;HMDB00700,LMFA01050003,Q2823220,68152,61460,DTXSID50198305
WJ000056,"3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine",C9H21N2O3,"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/p+1/t7?,8-/m0/s1",ZRJHLGYVUCPZNH-MQWKRIRWSA-O,C[N+](C)(C)CCCC(O)[C@H](N)C(O)=O,CHEBI:15786,C01259,HMDB0001422;HMDB01422,,Q28487651,439460,388565,
WJ000057,3-methylbut-2-enoyl-CoA,C26H42N7O17P3S,"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)/t15-,19-,20-,21+,25-/m1/s1",BXIPALATIYNHJN-ZMHDXICWSA-N,CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15486,,HMDB01493,LMFA07050232,Q27089470,9549326,7828242,
WJ000058,trans-3-methylglutaconyl-CoA,C27H42N7O19P3S,"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/h8,12-13,15,20-22,26,39-40H,4-7,9-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b14-8+/t15-,20-,21-,22+,26-/m1/s1",ZMMFWDHIXCPOHZ-XRYKKJIBSA-N,C\C(CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)=C/C(O)=O,CHEBI:15488,,,LMFA07050388,Q27089472,11966117,10140111,
WJ000059,1-methyl-4-imidazoleacetic acid,C6H8N2O2,"InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)",ZHCKPJGJQOPTLB-UHFFFAOYSA-N,CN1C=NC(CC(O)=O)=C1,CHEBI:1606,C05828,HMDB0002820;HMDB02820,,Q27105479,75810,68319,DTXSID30180884
WJ000060,3-methyl-2-oxobutanoic acid,C5H8O3,"InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)",QHKABHOOEWYVLI-UHFFFAOYSA-N,CC(C)C(=O)C(O)=O,CHEBI:16530,C00141,HMDB00019;HMDB0000019,LMFA01020274,Q2823217,49,48,DTXSID6061078
WJ000061,(S)-3-methyl-2-oxovaleric acid,C6H10O3,"InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1",JVQYSWDUAOAHFM-BYPYZUCNSA-N,CC[C@H](C)C(=O)C(O)=O,CHEBI:15614,C00671,,LMFA01020275,Q27452360,439286,388419,DTXSID20179505
WJ000062,"3-nonaprenyl-4,5-dihydroxybenzoic acid",C52H78O4,"InChI=1S/C52H78O4/c1-39(2)19-11-20-40(3)21-12-22-41(4)23-13-24-42(5)25-14-26-43(6)27-15-28-44(7)29-16-30-45(8)31-17-32-46(9)33-18-34-47(10)35-36-48-37-49(52(55)56)38-50(53)51(48)54/h19,21,23,25,27,29,31,33,35,37-38,53-54H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,55,56)/b40-21+,41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+",FMSCZYMOUYOENK-OPSRSWOASA-N,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=CC(O)=C1O)C(O)=O,CHEBI:62788,,,,Q27132176,25245372,26332871,
WJ000063,3-nonaprenyl-4-hydroxy-5-methoxybenzoic acid,C53H80O4,"InChI=1S/C53H80O4/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-49-38-50(53(55)56)39-51(57-11)52(49)54/h20,22,24,26,28,30,32,34,36,38-39,54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3,(H,55,56)/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+",FDPPBYXDOXRDHA-JSGWLJPKSA-N,COC1=C(O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=CC(=C1)C(O)=O,CHEBI:62790,,,,Q27132178,25245445,26332873,
WJ000064,4-hydroxy-3-all-trans-nonaprenylbenzoic acid,C52H78O3,"InChI=1S/C52H78O3/c1-40(2)19-11-20-41(3)21-12-22-42(4)23-13-24-43(5)25-14-26-44(6)27-15-28-45(7)29-16-30-46(8)31-17-32-47(9)33-18-34-48(10)35-36-49-39-50(52(54)55)37-38-51(49)53/h19,21,23,25,27,29,31,33,35,37-39,53H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,54,55)/b41-21+,42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+",YKKKMRBEPIZPBH-XWEAJCOCSA-N,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=CC=C1O)C(O)=O,CHEBI:84501,C03885,,,Q27157805,6443777,4947740,
WJ000065,3'-phosphoadenylyl selenate,C10H11N5O13P2Se,"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)/t4-,6-,7-,10-/m1/s1",AZRLZPIFEZUZLW-KQYNXXCUSA-N,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,CHEBI:28450,C05696,HMDB11104;HMDB0011104,,Q27103702,24892762,30785505,
WJ000066,3-phospho-D-glyceric acid,C3H7O7P,"InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1",OSJPPGNTCRNQQC-UWTATZPHSA-N,O[C@H](COP(O)(O)=O)C(O)=O,CHEBI:17794,C00197,HMDB0060180;HMDB60180,,Q223118,439183,388326,
WJ000067,3-phosphonooxypyruvic acid,C3H5O7P,"InChI=1S/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)",LFLUCDOSQPJJBE-UHFFFAOYSA-N,OC(=O)C(=O)COP(O)(O)=O,CHEBI:1661;CHEBI:30933,C03232,HMDB0001024;HMDB01024,,Q4353545,105,103,
WJ000068,3-sulfino-L-alanine,C3H7NO4S,"InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1",ADVPTQAUNPRNPO-REOHCLBHSA-N,N[C@@H](CS(O)=O)C(O)=O,CHEBI:16345,C00606,HMDB00996;HMDB60179;HMDB0060179,,Q2823252,1549098,1266065,DTXSID20862546
WJ000069,3-sulfinylpyruvic acid,C3H4O5S,"InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)",JXYLQEMXCAAMOL-UHFFFAOYSA-N,OC(=O)C(=O)CS(O)=O,CHEBI:1665,C05527,HMDB0002332;HMDB01405;HMDB0001405;HMDB02332,,Q27105488,110,108,
WJ000070,3-sulfopyruvic acid,C3H4O6S,"InChI=1S/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)",BUTHMSUEBYPMKJ-UHFFFAOYSA-N,OC(=O)C(=O)CS(O)(=O)=O,CHEBI:16894;CHEBI:45736,C05528,HMDB04045;HMDB0004045,,Q27093216,440717,389590,DTXSID60243370
WJ000071,3-ureidoisobutyric acid,C5H10N2O3,"InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)",PHENTZNALBMCQD-UHFFFAOYSA-N,CC(CNC(N)=O)C(O)=O,CHEBI:1670,C05100,HMDB02031;HMDB0002031,,Q2823221,160663,141172;21233848,
WJ000072,"4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid",C10H9NO5,"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)",YCJNYHCCOXVYAF-UHFFFAOYSA-N,NC1=C(C=CC=C1O)C(=O)CC(=O)C(O)=O,,C05645,HMDB0004083;HMDB04083,,Q61444911,440741,389612,
WJ000073,4-acetamidobutanoic acid,C6H11NO3,"InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)",UZTFMUBKZQVKLK-UHFFFAOYSA-N,CC(=O)NCCCC(O)=O,CHEBI:17645,C02946,HMDB03681;HMDB0003681,,Q27102497,18189,17180,DTXSID50184344
WJ000074,gamma-aminobutyric acid,C4H9NO2,"InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)",BTCSSZJGUNDROE-UHFFFAOYSA-N,NCCCC(O)=O,CHEBI:16865,C00334,HMDB0000112;HMDB00112,LMFA01100039,Q210021,119,116,DTXSID6035106
WJ000075,4-aminobenzoic acid,C7H7NO2,"InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)",ALYNCZNDIQEVRV-UHFFFAOYSA-N,NC1=CC=C(C=C1)C(O)=O,CHEBI:30753;CHEBI:44778,C00568,HMDB01392;HMDB0001392,,Q284959,978,953,DTXSID6024466
WJ000076,"4-(2-aminophenyl)-2,4-dioxobutanoic acid",C10H9NO4,"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)",CAOVWYZQMPNAFJ-UHFFFAOYSA-N,NC1=CC=CC=C1C(=O)CC(=O)C(O)=O,CHEBI:17442,C01252,HMDB00978;HMDB0000978,,Q27102401,472,459,
WJ000077,4-coumaroyl-CoA,C30H42N7O18P3S,"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)/t19-,23-,24-,25+,29-/m1/s1",DMZOKBALNZWDKI-FUEUKBNZSA-N,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=CC1=CC=C(O)C=C1,CHEBI:15499,,HMDB0060153;HMDB60153,LMFA07050265,Q57828471,147899,21864784,
WJ000078,4-fumarylacetoacetic acid,C8H8O6,"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)/b2-1+",GACSIVHAIFQKTC-OWOJBTEDSA-N,OC(=O)CC(=O)CC(=O)\C=C\C(O)=O,CHEBI:47904;CHEBI:30907,C01036;C01061,HMDB0001268;HMDB01268,LMFA01170066,Q5508538,5280398;5280393,4444081;4444078,
WJ000079,4-hydroxy-2-oxoglutaric acid,C5H6O6,"InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)",WXSKVKPSMAHCSG-UHFFFAOYSA-N,OC(CC(=O)C(O)=O)C(O)=O,CHEBI:30923,C01127,HMDB0002070;HMDB02070,,Q27104173,599,579,
WJ000080,4-hydroxybenzoic acid,C7H6O3,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",FJKROLUGYXJWQN-UHFFFAOYSA-N,OC(=O)C1=CC=C(O)C=C1,CHEBI:30763,C00156,HMDB0000500;HMDB00500,,Q229970,135,132,DTXSID3026647
WJ000081,4-hydroxybenzoyl-CoA,C28H40N7O18P3S,"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)/t17-,20-,21-,22+,26-/m1/s1",LTVXPVBFJBTNIJ-TYHXJLICSA-N,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=C(O)C=C1,CHEBI:40998;CHEBI:1859;CHEBI:15500,C02949,HMDB60140;HMDB0060140,,Q27089482,168718,147584,DTXSID00950415
WJ000082,L-4-hydroxyglutamic semialdehyde,C5H9NO4,"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",XCXUZPXOFFRGGP-DMTCNVIQSA-N,N[C@@H](C[C@@H](O)C=O)C(O)=O,CHEBI:27809,C05938,HMDB06556;HMDB0006556,,Q27103349,440851,389693,
WJ000083,(4-hydroxyphenyl)acetaldehyde,C8H8O2,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",IPRPPFIAVHPVJH-UHFFFAOYSA-N,[H]C(=O)CC1=CC=C(O)C=C1,CHEBI:15621,C03765,HMDB03767;HMDB0003767,,Q9552908,440113,389113,DTXSID00223631
WJ000084,4-hydroxyphenylacetic acid,C8H8O3,"InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)",XQXPVVBIMDBYFF-UHFFFAOYSA-N,OC(=O)CC1=CC=C(O)C=C1,CHEBI:18101;CHEBI:12014,C00642,HMDB00020;HMDB0000020,,Q4637160,127,124,DTXSID5059745
WJ000085,4-hydroxy-L-proline,C5H9NO3,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1",PMMYEEVYMWASQN-BKLSDQPFSA-N,OC1CN[C@@H](C1)C(O)=O,CHEBI:18240;CHEBI:63727,,HMDB06055,,Q27102938,69248,62461,
WJ000086,trans-4-hydroxy-L-proline,C5H9NO3,"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",PMMYEEVYMWASQN-DMTCNVIQSA-N,O[C@H]1CN[C@@H](C1)C(O)=O,CHEBI:58375;CHEBI:18095,C01157,HMDB00725;HMDB0000725,,Q27089020,5810,5605,DTXSID10883225
WJ000087,"3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid",C6H8N2O3,"InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3-4H,1-2H2,(H,9,10)(H,7,8,11)",HEXMLHKQVUFYME-UHFFFAOYSA-N,OC(=O)CCC1NC=NC1=O,CHEBI:27384,C03680,HMDB0001014;HMDB01014,,Q30582,128,21232480;125,
WJ000088,4-maleylacetoacetic acid,C8H8O6,"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)/b2-1-",GACSIVHAIFQKTC-UPHRSURJSA-N,OC(=O)CC(=O)CC(=O)\C=C/C(O)=O,CHEBI:47904,C01036,HMDB62563;HMDB02052;HMDB0002052,LMFA01170114,Q2823225,5280393,4444078,
WJ000089,4-methyl-2-oxopentanoic acid,C6H10O3,"InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)",BKAJNAXTPSGJCU-UHFFFAOYSA-N,CC(C)CC(=O)C(O)=O,CHEBI:48430,C00233,HMDB0000695;HMDB00695,,Q622421,70,69,DTXSID6061157
WJ000090,4-oxoglutaramic acid,C5H7NO4,"InChI=1S/C5H7NO4/c6-5(10)3(7)1-2-4(8)9/h1-2H2,(H2,6,10)(H,8,9)",UGKYJAWJZICPEX-UHFFFAOYSA-N,NC(=O)C(=O)CCC(O)=O,CHEBI:30883,,,,Q27104164,440726,389598,
WJ000091,(R)-4'-phosphopantothenic acid,C9H18NO8P,"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)/t7-/m0/s1",XHFVGHPGDLDEQO-ZETCQYMHSA-N,CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(O)=O,CHEBI:15905,C03492,,,Q27098291,41635,37997,
WJ000092,N-[(R)-4-phosphopantothenoyl]-L-cysteine,C12H23N2O9PS,"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)/t7-,9-/m0/s1",XQYALQVLCNHCFT-CBAPKCEASA-N,CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O,CHEBI:15769,C04352,HMDB0001117;HMDB01117,,Q27098222,440304,389278,DTXSID80222243
WJ000093,4-trimethylammoniobutanal,C7H16NO,"InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1",OITBLCDWXSXNCN-UHFFFAOYSA-N,[H]C(=O)CCC[N+](C)(C)C,CHEBI:1940;CHEBI:18020,C01149,HMDB0001345;HMDB01345,,Q27073961,133,130,DTXSID20214844
WJ000094,4-(trimethylammonio)butanoate,C7H15NO2,"InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3",JHPNVNIEXXLNTR-UHFFFAOYSA-N,C[N+](C)(C)CCCC([O-])=O,CHEBI:16244,C05543,HMDB06831;HMDB0006831,,Q27073962,725,705,DTXSID00961102
WJ000095,"5,6-dihydrothymine",C5H8N2O2,"InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)",NBAKTGXDIBVZOO-UHFFFAOYSA-N,CC1CNC(=O)NC1=O,CHEBI:27468,C00906,HMDB0000079;HMDB00079,,Q3027885,93556,84456,DTXSID30862375
WJ000096,"5,6-dihydrouracil",C4H6N2O2,"InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)",OIVLITBTBDPEFK-UHFFFAOYSA-N,O=C1CCNC(=O)N1,CHEBI:15901,C00429,HMDB00076;HMDB0000076,,Q409340,649,629,DTXSID7060122
WJ000097,17beta-hydroxy-5alpha-androstan-3-one,C19H30O2,"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",NVKAWKQGWWIWPM-ABEVXSGRSA-N,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C,CHEBI:16330;CHEBI:41876,C03917,HMDB0002961;HMDB02961,LMST02020042,Q411054,10635,10189,DTXSID9022364
WJ000098,5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,C9H14N3O9P,"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)/t3-,5-,6-,8-/m1/s1",XFVULMDJZXYMSG-ZIYNGMLESA-N,NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O,CHEBI:28413,C04751,HMDB06273;HMDB0006273,,Q2816671,165388,144983,DTXSID50208716
WJ000099,(R)-5-diphosphomevalonic acid,C6H14O10P2,"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)/t6-/m1/s1",SIGQQUBJQXSAMW-ZCFIWIBFSA-N,C[C@@](O)(CCOP(O)(=O)OP(O)(O)=O)CC(O)=O,CHEBI:15899,C01143,HMDB0001090;HMDB01090,LMFA01050416,Q27088509,439418,388531,
WJ000100,5-formyltetrahydrofolic acid,C20H23N7O7,"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)/t12?,13-/m0/s1",VVIAGPKUTFNRDU-ABLWVSNPSA-N,[H]C(=O)N1C(CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2,,,,,,,,DTXSID0048216
WJ000101,2-Oxoarginine,C6H11N3O3,"InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)",ARBHXJXXVVHMET-UHFFFAOYSA-N,NC(=N)NCCCC(=O)C(O)=O,CHEBI:28116,C03771,HMDB04225;HMDB0004225,,Q27103511,558,542,DTXSID00190632
WJ000102,5(S)-HETE,C20H32O3,"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)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1",KGIJOOYOSFUGPC-JGKLHWIESA-N,CCCCC\C=C/C\C=C/C\C=C/C=C/[C@@H](O)CCCC(O)=O,CHEBI:28209,C04805,HMDB0011134;HMDB11134,LMFA03060002,Q2823230,5280733,4444314,
WJ000103,(5-hydroxyindol-3-yl)acetaldehyde,C10H9NO2,"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",OBFAPCIUSYHFIE-UHFFFAOYSA-N,OC1=CC=C2NC=C(CC=O)C2=C1,CHEBI:50157,C05634,HMDB04073;HMDB0004073,,Q27073985,74688,67261,DTXSID60172318
WJ000104,(5-hydroxyindol-3-yl)acetic acid,C10H9NO3,"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)",DUUGKQCEGZLZNO-UHFFFAOYSA-N,OC(=O)CC1=CNC2=CC=C(O)C=C12,CHEBI:27823,C05635,HMDB0000763;HMDB00763,,Q238532,1826,1760,DTXSID50861582
WJ000105,5(S)-HPETE,C20H32O4,"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)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1",JNUUNUQHXIOFDA-JGKLHWIESA-N,CCCCC\C=C/C\C=C/C\C=C/C=C/[C@H](CCCC(O)=O)OO,CHEBI:15632,C05356,HMDB01193;HMDB0001193,LMFA03060012,Q2823231,5280778,4444340,
WJ000106,5-hydroxytryptophan,C11H12N2O3,"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)",LDCYZAJDBXYCGN-UHFFFAOYSA-N,NC(CC1=CNC2=C1C=C(O)C=C2)C(O)=O,CHEBI:28171,C01017,,,Q27103541,144,141,
WJ000107,S-methyl-5-thio-alpha-D-ribose 1-phosphate,C6H13O7PS,"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)/t3-,4-,5-,6-/m1/s1",JTFITTQBRJDSTL-KVTDHHQDSA-N,CSC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O,CHEBI:27859,,,,Q27103377,11988266,10160733,
WJ000108,S-methyl-5-thio-D-ribulose 1-phosphate,CHEBI:28096,"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)/t5-,6+/m1/s1",CNSJRYUMVMWNMC-RITPCOANSA-N,CSC[C@@H](O)[C@@H](O)C(=O)COP(O)(O)=O,CHEBI:28096,C04582,HMDB0001299;HMDB01299,,Q27103501,174549,152225,DTXSID501006705
WJ000109,5'-S-methyl-5'-thioadenosine,C11H15N5O3S,"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",WUUGFSXJNOTRMR-IOSLPCCCSA-N,CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,CHEBI:17509,C00170,HMDB01173;HMDB0001173,,Q3599216,439176,388321,DTXSID20179308
WJ000110,5-methyltetrahydrofolic acid,C20H25N7O6,"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)/t12-,13-/m0/s1",ZNOVTXRBGFNYRX-STQMWFEESA-N,CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2,CHEBI:15641,C00440,HMDB01396,,Q192553,444412,388371,DTXSID00185583
WJ000111,5-oxoproline,C5H7NO3,"InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)",ODHCTXKNWHHXJC-UHFFFAOYSA-N,OC(=O)C1CCC(=O)N1,CHEBI:16010,C02237,HMDB0060262;HMDB00805;HMDB60262;HMDB0000805,,Q27887010,499,485,DTXSID80859174
WJ000112,(R)-5-phosphomevalonic acid,C6H13O7P,"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)/t6-/m1/s1",OKZYCXHTTZZYSK-ZCFIWIBFSA-N,C[C@@](O)(CCOP(O)(O)=O)CC(O)=O,CHEBI:17436,C01107,HMDB0001343;HMDB01343,LMFA01050415,Q27464491,439400,388517,
WJ000113,pentaglutamyl folate,C39H47N11O18,"InChI=1S/C39H47N11O18/c40-39-49-31-30(33(58)50-39)43-19(16-42-31)15-41-18-3-1-17(2-4-18)32(57)48-24(38(67)68)8-13-28(54)46-22(36(63)64)6-11-26(52)44-20(34(59)60)5-10-25(51)45-21(35(61)62)7-12-27(53)47-23(37(65)66)9-14-29(55)56/h1-4,16,20-24,41H,5-15H2,(H,44,52)(H,45,51)(H,46,54)(H,47,53)(H,48,57)(H,55,56)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H3,40,42,49,50,58)/t20-,21-,22-,23-,24-/m0/s1",IVSPPVMFGMVDLI-LSBAASHUSA-N,NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)=CN=C2N1,CHEBI:140748,,HMDB06487;HMDB0006487,,,73374,66096,DTXSID60187306
WJ000114,"1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate",C6H20O30P8,"InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6-/m1/s1",HHQOOERQSFJGEP-SLWYWOEDSA-N,OP(O)(=O)O[C@@H]1[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H]1OP(O)(O)=O,CHEBI:77983;CHEBI:62923,,,,Q27132283,,26327699,
WJ000115,6-phospho-D-gluconic acid,C6H13O10P,"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)/t2-,3-,4+,5-/m1/s1",BIRSGZKFKXLSJQ-SQOUGZDYSA-N,O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O,CHEBI:48928;CHEBI:40282,C00345,HMDB0001316;HMDB01316,,Q245501,91493,82615,DTXSID00872623
WJ000116,"6-O-phosphono-D-glucono-1,5-lactone",C6H11O9P,"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)/t2-,3-,4+,5-/m1/s1",IJOJIVNDFQSGAB-SQOUGZDYSA-N,O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)OC(=O)[C@@H]1O,CHEBI:16938,C01236,HMDB0001127;HMDB01127,,Q245503,439452,388559,
WJ000117,dyspropterin,C9H11N5O3,"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)",WBJZXBUVECZHCE-UHFFFAOYSA-N,CC(=O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2,CHEBI:17804,C03684,HMDB01195;HMDB0001195,,Q245508,128973,114280,
WJ000118,7alpha-hydroxy-3-oxo-4-cholestenoic acid,C27H42O4,"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)/t16-,17?,20-,21+,22+,23-,24+,26+,27-/m1/s1",SATGKQGFUDXGAX-MYWFJNCASA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C(O)=O,CHEBI:83036,C17337,HMDB0012458;HMDB12458,,,3081085,2338765,DTXSID80921749
WJ000119,7-dehydrocholesterol,C27H44O,"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",UCTLRSWJYQTBFZ-DDPQNLDTSA-N,[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,CHEBI:17759,,,,,,,DTXSID20861933
WJ000120,"cholesta-5,7-dien-3beta-ol",C27H44O,"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",UCTLRSWJYQTBFZ-DDPQNLDTSA-N,[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,CHEBI:17759,C01164,HMDB00032;HMDB0000032,LMST01010069,Q139350,439423,388534,DTXSID20861933
WJ000121,Heptaglutamyl folic acid,C54H68N14O27,"InChI=1S/C54H68N14O27/c55-24(5-12-31(69)70)39(83)52(49(92)93,40(84)25(56)6-13-32(71)72)53(41(85)26(57)7-14-33(73)74,42(86)27(58)8-15-34(75)76)54(43(87)28(59)9-16-35(77)78,50(94)95-48(91)30(61)11-18-37(81)82)68(47(90)29(60)10-17-36(79)80)46(89)21-1-3-22(4-2-21)63-19-23-20-64-44-38(65-23)45(88)67-51(62)66-44/h1-4,20,24-30,63H,5-19,55-61H2,(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,92,93)(H3,62,64,66,67,88)/t24-,25-,26-,27-,28-,29-,30-,54?/m0/s1",KNLHIYYNBQALAI-IMYKNWLQSA-N,C(C(C(C(C(=O)OC([C@@H](N)CCC(=O)O)=O)(N(C(=O)C=1C=CC(=CC1)NCC2=NC=3C(=O)NC(N)=NC3N=C2)C([C@@H](N)CCC(=O)O)=O)C([C@@H](N)CCC(=O)O)=O)(C([C@@H](N)CCC(=O)O)=O)C([C@@H](N)CCC(=O)O)=O)(C([C@@H](N)CCC(=O)O)=O)C([C@@H](N)CCC(=O)O)=O)(=O)O,CHEBI:89846,,HMDB0006559;HMDB06559,,Q27162030,53477856,35016009,
WJ000122,"3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate",C6H20O30P8,"InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6-/m0/s1",HHQOOERQSFJGEP-ZSIQDKGESA-N,OP(O)(=O)O[C@@H]1[C@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(=O)OP(O)(O)=O)[C@H]1OP(O)(O)=O,CHEBI:62924,,,,Q27132284,,26332922,
WJ000123,acetoacetyl-CoA,C25H40N7O18P3S,"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)/t14-,18-,19-,20+,24-/m1/s1",OJFDKHTZOUZBOS-CITAKDKDSA-N,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15345,C00332,HMDB01484,LMFA07050030,Q2639429,92153,83198,
WJ000124,aminoacetone,C3H7NO,"InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3",BCDGQXUMWHRQCB-UHFFFAOYSA-N,CC(=O)CN,CHEBI:17906,C01888,HMDB0002134;HMDB02134,,Q4545767,215,210,DTXSID10183939
WJ000125,L-arabinitol,C5H12O5,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1",HEBKCHPVOIAQTA-IMJSIDKUSA-N,OC[C@H](O)C(O)[C@@H](O)CO,CHEBI:18403,C00532,HMDB0001851;HMDB01851,,Q27103054,439255,388391,DTXSID30884411
WJ000126,2''-O-acetyl-ADP-D-ribose,C17H25N5O15P2,"InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10-,11-,12-,13-,16-,17?/m1/s1",BFNOPXRXIQJDHO-YDKGJHSESA-N,CC(=O)O[C@H]1C(O)O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@H]1O,,,,,,,,
WJ000127,acetic acid,C2H4O2,"InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",QTBSBXVTEAMEQO-UHFFFAOYSA-N,CC(O)=O,CHEBI:15366,C00033,HMDB00042;HMDB0000042,LMFA01010002,Q47512,176,171,DTXSID5024394
WJ000128,acetoacetic acid,C4H6O3,"InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)",WDJHALXBUFZDSR-UHFFFAOYSA-N,CC(=O)CC(O)=O,CHEBI:15344,C00164,HMDB00060;HMDB0000060,LMFA01060003,Q409692,96,94,DTXSID00202441
WJ000129,acetaldehyde,C2H4O,"InChI=1S/C2H4O/c1-2-3/h2H,1H3",IKHGUXGNUITLKF-UHFFFAOYSA-N,[H]C(C)=O,CHEBI:15343,C00084,HMDB0000990;HMDB00990,,Q61457,177,172,DTXSID5039224
WJ000130,N-acetyl-beta-D-glucosaminylamine,C8H16N2O5,"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",MCGXOCXFFNKASF-FMDGEEDCSA-N,CC(=O)N[C@H]1[C@H](N)O[C@H](CO)[C@@H](O)[C@@H]1O,CHEBI:15947,C01239,HMDB0001104;HMDB01104,,Q27098314,439454,388560,
WJ000131,N(4)-(beta-N-acetyl-D-glucosaminyl)-L-asparagine,C12H21N3O8,"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",YTTRPBWEMMPYSW-HRRFRDKFSA-N,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O,CHEBI:17261,C04540,HMDB0000489;HMDB00489,,Q4807723,123826,110370,
WJ000132,acetyl-CoA,C23H38N7O17P3S,"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)/t13-,16-,17-,18+,22-/m1/s1",ZSLZBFCDCINBPY-ZSJPKINUSA-N,CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15351,C00024,HMDB0001206;HMDB01206,LMFA07050281,Q715317,444493,392413,
WJ000133,N-acetyl-D-galactosamine,C8H15NO6,"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",OVRNDRQMDRJTHS-KEWYIRBNSA-N,CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O,CHEBI:28037,C01074;C01132,,,Q27103467,35717,32855;24225627,
WJ000134,N-acetyl-beta-D-glucosamine,C8H15NO6,"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",OVRNDRQMDRJTHS-FMDGEEDCSA-N,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,CHEBI:28009;CHEBI:7169,C03878,HMDB00803;HMDB0000803,,Q284367,24139,22563,
WJ000135,N-acetyl-D-glucosamine 1-phosphate,C8H16NO9P,"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)/t4-,5-,6-,7-,8-/m1/s1",BRGMHAYQAZFZDJ-FMDGEEDCSA-N,CC(=O)N[C@H]1[C@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,CHEBI:50565,,,,Q27122116,10040501,8216065,
WJ000136,N-acetyl-D-glucosamine 6-phosphate,C8H16NO9P,"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)/t4-,5-,6-,7-,8?/m1/s1",BRGMHAYQAZFZDJ-RTRLPJTCSA-N,CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,CHEBI:7127;CHEBI:21521;CHEBI:15784,C00357,HMDB01062;HMDB0001062,,Q27098230,440996,21864795;389821,
WJ000137,acetylcholine,C7H16NO2,"InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1",OIPILFWXSMYKGL-UHFFFAOYSA-N,CC(=O)OCC[N+](C)(C)C,CHEBI:40559;CHEBI:15355,C01996,HMDB0000895;HMDB00895,,Q180623,187,182,DTXSID8075334
WJ000138,cis-aconitic acid,C6H6O6,"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)/b3-1-",GTZCVFVGUGFEME-IWQZZHSRSA-N,OC(=O)C\C(=C\C(O)=O)C(O)=O,CHEBI:32805,C00417,HMDB00072;HMDB0000072,,Q27104226,643757,558863,DTXSID30883449
WJ000139,N(2)-acetyl-L-ornithine,C7H14N2O3,"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",JRLGPAXAGHMNOL-LURJTMIESA-N,CC(=O)N[C@@H](CCCN)C(O)=O,CHEBI:57805;CHEBI:16543,C00437,HMDB0003357;HMDB03357,,Q26690116,439232,388369,DTXSID80331400
WJ000140,O-Acetyl-L-carnitine,C9H17NO4,"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",RDHQFKQIGNGIED-MRVPVSSYSA-N,CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,CHEBI:57589,C02571,HMDB0000201;HMDB00201,LMFA07070050,Q311992,7045767,5406074,DTXSID1040956
WJ000141,O-acetyl-L-serine,C5H9NO4,"InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1",VZXPDPZARILFQX-BYPYZUCNSA-N,CC(=O)OC[C@H](N)C(O)=O,CHEBI:17981,C00979,HMDB03011;HMDB0003011,,Q309897,99478,89874,DTXSID20904718
WJ000142,adenine,C5H5N5,"InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)",GFFGJBXGBJISGV-UHFFFAOYSA-N,NC1=C2N=CNC2=NC=N1,CHEBI:16708,C00147,HMDB0000034;HMDB00034,,Q15277,190,185,DTXSID6022557
WJ000143,alpha-D-galactose,C6H12O6,"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",WQZGKKKJIJFFOK-PHYPRBDBSA-N,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,CHEBI:28260;CHEBI:28061;CHEBI:42741,C00984;C01582,HMDB0000143;HMDB00143,,Q181381,439357,388480,DTXSID90189974
WJ000144,adenosine,C10H13N5O4,"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",OIRDTQYFTABQOQ-KQYNXXCUSA-N,NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1,CHEBI:40558;CHEBI:16335,C00212,HMDB00050;HMDB0000050,,Q190012,60961,54923,DTXSID1022558
WJ000145,adenosylcobinamide,C58H84CoN16O11,"InChI=1S/C48H73N11O8.C10H12N5O3.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)27(11-14-33(50)62)39(57-31)24(2)41(45)58-43;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,23,26-29,43,60H,10-18,20-22H2,1-9H3,(H14,49,50,51,52,53,54,55,56,57,58,59,61,62,63,64,65,66,67);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,26-,27-,28-,29+,43-,45-,46+,47+,48+;4-,6-,7-,10-;/m11./s1",KQXSPGAEBZWHMC-QMUWONGRSA-M,[H][C@@]12[C@H](CC(N)=O)[C@@](C)(CCC(=O)NC[C@@H](C)O)C3=C(C)C4=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]1(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co--]57(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC5=C1N=CN=C5N)N23)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]4CCC(N)=O,CHEBI:2480,C06508,HMDB0006903;HMDB06903,,Q27105676,,29368593,
WJ000146,Adenosylcobalamin,C72H100CoN18O17P,"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",ZIHHMGTYZOSFRC-OUCXYWSSSA-L,[C@H]1(C[Co-3]2345[N+]6=C7C(C)=C8N2[C@]([H])([C@H](CC(=O)N)[C@]8(CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]2[C@@H](CO)O[C@H](N8C=[N+]3C3=CC(C)=C(C)C=C83)[C@@H]2O)C)[C@@]2(C)[C@@](CC(=O)N)([C@H](CCC(=O)N)C(C(C)=C3[N+]4=C(C=C6C([C@@H]7CCC(=O)N)(C)C)[C@@H](CCC(=O)N)[C@@]3(CC(=O)N)C)=[N+]52)C)O[C@@H](N2C3=C(N=C2)C(=NC=N3)N)[C@H](O)[C@@H]1O,CHEBI:18408,,HMDB02086;HMDB0002086,,Q28529677,,,
WJ000147,ADP,C10H15N5O10P2,"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)/t4-,6-,7-,10-/m1/s1",XTWYTFMLZFPYCI-KQYNXXCUSA-N,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,CHEBI:16761,C00008,HMDB01341;HMDB0001341,,Q185253,6022,5800,DTXSID60883210
WJ000148,ADP alpha-D-glucoside,C16H25N5O15P2,"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)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1",WFPZSXYXPSUOPY-ROYWQJLOSA-N,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,CHEBI:15751,C00498,HMDB06557;HMDB0006557;HMDB65570,,Q27098215,16500,15642,
WJ000149,ADP-alpha-D-mannose,C16H25N5O15P2,"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)/t5-,6-,8-,9-,10+,11-,12+,15-,16-/m1/s1",WFPZSXYXPSUOPY-RYRBFGMPSA-N,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1,CHEBI:28845,C06192,HMDB06369;HMDB0006369,,Q27103926,440940,389769,
WJ000150,ADP-D-ribose,C15H23N5O14P2,"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)/t5-,6-,8-,9-,10-,11-,14-,15?/m1/s1",SRNWOUGRCWSEMX-TYASJMOZSA-N,NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1,CHEBI:16960,C00301,HMDB01178,,Q61416,33576,,
WJ000151,adenylyl selenate,C10H14N5O10PSe,"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)/t4-,6-,7-,10-/m1/s1",XCADVMZZFPIERR-KQYNXXCUSA-N,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)O[Se](O)(=O)=O)[C@@H](O)[C@H]1O,CHEBI:2485,C05686,HMDB0004112;HMDB04112,,Q27105680,440758,389628,
WJ000152,S-adenosyl-L-homocysteine,C14H20N6O5S,"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",ZJUKTBDSGOFHSH-WFMPWKQPSA-N,N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)C(O)=O,CHEBI:45495;CHEBI:16680;CHEBI:57856,C00021,HMDB00939;HMDB0000939,,Q307434,439155,388301,DTXSID30895860
WJ000153,"7,8-dihydroneopterin 3'-triphosphate",C9H16N5O13P3,"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)/t4-,6+/m1/s1",DGGUVLXVLHAAGT-XINAWCOVSA-N,NC1=NC2=C(N=C(CN2)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(=O)N1,CHEBI:18372,C04895,HMDB0000980;HMDB00980,,Q4642857,121885,108735,DTXSID60174579
WJ000154,AICA ribonucleotide,C9H15N4O8P,"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)/t3-,5-,6-,9-/m1/s1",NOTGFIUVDGNKRI-UUOKFMHZSA-N,[H][C@]1(COP(O)(O)=O)O[C@]([H])([C@H](O)[C@@H]1O)N1C=NC(C(N)=O)=C1N,CHEBI:18406,C04677,HMDB01517;HMDB0001517,,Q2817102,65110,58620,DTXSID10904363
WJ000155,5-amino-1-(5-phospho-beta-D-ribosyl)imidazole,C8H14N3O7P,"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)/t4-,6-,7-,8-/m1/s1",PDACUKOKVHBVHJ-XVFCMESISA-N,NC1=CN=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,CHEBI:138560;CHEBI:28843,C03373,HMDB0001235;HMDB01235,,Q2817103,161500,141854,
WJ000156,2-oxoglutaric acid,C5H6O5,"InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)",KPGXRSRHYNQIFN-UHFFFAOYSA-N,OC(=O)CCC(=O)C(O)=O,CHEBI:30915,C00026,HMDB00208;HMDB0000208,,Q306140,51,50,DTXSID5033179
WJ000157,2-oxoglutaramic acid,C5H7NO4,"InChI=1S/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10)",COJBGNAUUSNXHX-UHFFFAOYSA-N,NC(=O)CCC(=O)C(O)=O,CHEBI:30882,C00940,HMDB0001552;HMDB01552,,Q27104163,48,47,DTXSID60171604
WJ000158,D-alanine,C3H7NO2,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1",QNAYBMKLOCPYGJ-UWTATZPHSA-N,C[C@@H](N)C(O)=O,CHEBI:15570,C00133,HMDB0001310;HMDB01310,,Q27076975,71080,64234,DTXSID3045649
WJ000159,L-alanine,C3H7NO2,"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1",QNAYBMKLOCPYGJ-REOHCLBHSA-N,C[C@H](N)C(O)=O,CHEBI:16977,C00041,HMDB00161;HMDB0000161,,Q218642,5950,5735,DTXSID20873899
WJ000160,Ala-Ala-Ala,C9H17N3O4,"InChI=1S/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5-,6-/m0/s1",BYXHQQCXAJARLQ-ZLUOBGJFSA-N,C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(O)=O,CHEBI:73313,,,,Q27140430,5478845,4585992,
WJ000161,beta-alanine,C3H7NO2,"InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)",UCMIRNVEIXFBKS-UHFFFAOYSA-N,NCCC(O)=O,CHEBI:41050;CHEBI:16958;CHEBI:57966,C00099,HMDB0000056;HMDB00056,,Q310919,239,234,DTXSID0030823
WJ000162,Ala-Lys,C9H19N3O3,"InChI=1S/C9H19N3O3/c1-6(11)8(13)12-7(9(14)15)4-2-3-5-10/h6-7H,2-5,10-11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1",QXRNAOYBCYVZCD-BQBZGAKWSA-N,C[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O,,,,,,,,DTXSID30426799
WJ000163,Ala-Val,C8H16N2O3,"InChI=1S/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1",LIWMQSWFLXEGMA-WDSKDSINSA-N,CC(C)[C@H](NC(=O)[C@H](C)N)C(O)=O,CHEBI:73809,,HMDB0028700;HMDB28700,,Q27144125,96799,87399,
WJ000164,2-aminomuconic 6-semialdehyde,C6H7NO3,"InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)/b2-1-,5-3+",QCGTZPZKJPTAEP-REDYYMJGSA-N,[H]C(=O)\C=C/C=C(/N)C(O)=O,CHEBI:15745,C03824,HMDB01280;HMDB0001280,,,5280625,4444230,
WJ000165,4alpha-methyl-5alpha-cholest-8(14)-en-3beta-ol,C28H48O,"InChI=1S/C28H48O/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/h18-20,22-23,25-26,29H,7-17H2,1-6H3/t19-,20+,22-,23+,25+,26+,27-,28+/m1/s1",UIPYFONRKZTOIY-GQZGFCDBSA-N,[H][C@@]1(CCC2=C3CC[C@@]4([H])[C@H](C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,CHEBI:71581,,,,Q27139729,23621393,19962396,
WJ000166,S-adenosyl-L-methioninate,C15H22N6O5S,"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)/t7-,8+,10+,11+,14+,27?/m0/s1",MEFKEPWMEQBLKI-AIRLBKTGSA-N,C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,CHEBI:67040,C00019,HMDB01185,,Q27135598,34755,31982,DTXSID6032019
WJ000167,S-adenosylmethioninamine,C14H23N6O3S,"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",ZUNBITIXDCPNSD-LSRJEVITSA-N,C[S+](CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N,CHEBI:15625,C01137,HMDB00988;HMDB0000988,,Q3943310,439415,388529,
WJ000168,adenosine 5'-monophosphate,C10H14N5O7P,"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)/t4-,6-,7-,10-/m1/s1",UDMBCSSLTHHNCD-KQYNXXCUSA-N,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,CHEBI:16027,C00020,HMDB0000045;HMDB00045,,Q318369,6083,5858,DTXSID5022560
WJ000169,2-aminomuconic acid,C6H7NO4,"InChI=1S/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)/b3-1+,4-2-",ZRHONLCTYUYMIQ-TZFCGSKZSA-N,N\C(=C/C=C/C(O)=O)C(O)=O,CHEBI:11524;CHEBI:16886,,,,Q2823202,5459864,4573610,
WJ000170,androsterone,C19H30O2,"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",QGXBDMJGAMFCBF-HLUDHZFRSA-N,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C,CHEBI:16032,C00523,HMDB00031;HMDB0000031,LMST02020001,Q422469,5879,5668,DTXSID3036525
WJ000171,androsterone 3-glucosiduronic acid,C25H38O8,"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",VFUIRAVTUVCQTF-BSOWLZGZSA-N,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@H](CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,CHEBI:22556;CHEBI:28832,C11135,HMDB02829;HMDB0002829,LMST05010013,Q27103919,114833,102793,
WJ000172,anthranilic acid,C7H7NO2,"InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)",RWZYAGGXGHYGMB-UHFFFAOYSA-N,NC1=C(C=CC=C1)C(O)=O,CHEBI:30754,C00108,HMDB0001123;HMDB01123,,Q385140,227,222,DTXSID8020094
WJ000173,"P(1),P(4)-bis(5'-adenosyl) tetraphosphate",C20H28N10O19P4,"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)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1",YOAHKNVSNCMZGQ-XPWFQUROSA-N,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,CHEBI:17422,C01260,HMDB0001211;HMDB01211,,Q27102391,21706,20402,DTXSID60203994
WJ000174,alpha-aminopropionitrile,C3H6N2,"InChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3",UAMZETBJZRERCQ-UHFFFAOYSA-N,CC(N)C#N,CHEBI:27959,,,,Q27103423,411840,364609,DTXSID90943896
WJ000175,N-acetylputrescine,C6H14N2O,"InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)",KLZGKIDSEJWEDW-UHFFFAOYSA-N,CC(=O)NCCCCN,CHEBI:17768;CHEBI:7222,C02714,HMDB02064;HMDB60268;HMDB0002064;HMDB0060268,,Q27102595,122356,109095,DTXSID80205596
WJ000176,5'-adenylyl sulfate,C10H14N5O10PS,"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)/t4-,6-,7-,10-/m1/s1",IRLPACMLTUPBCL-KQYNXXCUSA-N,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O,CHEBI:17709,C00224,HMDB0001003;HMDB01003,,Q356138,10238,9821,
WJ000177,aldehydo-L-arabinose,C5H10O5,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m0/s1",PYMYPHUHKUWMLA-VAYJURFESA-N,[H]C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO,CHEBI:6182,,,,,,,DTXSID9039733
WJ000178,D-arginine,C6H14N4O2,"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)/t4-/m1/s1",ODKSFYDXXFIFQN-SCSAIBSYSA-N,N[C@H](CCCNC(N)=N)C(O)=O,CHEBI:41855;CHEBI:15816,C00792,HMDB0003416;HMDB03416,,Q27076987,71070,64224,DTXSID40883354
WJ000179,L-arginine,C6H14N4O2,"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)/t4-/m0/s1",ODKSFYDXXFIFQN-BYPYZUCNSA-N,N[C@@H](CCCNC(N)=N)C(O)=O,CHEBI:32682;CHEBI:16467,C00062,HMDB00517;HMDB0000517,,Q173670,6322,6082,DTXSID6041056
WJ000180,L-ascorbic acid,C6H8O6,"InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1",CIWBSHSKHKDKBQ-JLAZNSOCSA-N,[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO,CHEBI:29073,C00072;C01041,HMDB0000044;HMDB00044,,Q199678,54670067,10189562,DTXSID5020106
WJ000181,ascr#1,C13H24O6,"InChI=1S/C13H24O6/c1-8(5-3-4-6-12(16)17)18-13-11(15)7-10(14)9(2)19-13/h8-11,13-15H,3-7H2,1-2H3,(H,16,17)/t8-,9+,10-,11-,13-/m1/s1",KBTQMAFDKPKMEJ-UYNYGYNWSA-N,C[C@H](CCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78786,,,,Q27147958,11471380,9646210,
WJ000182,ascr#10,C15H28O6,"InChI=1S/C15H28O6/c1-10(7-5-3-4-6-8-14(18)19)20-15-13(17)9-12(16)11(2)21-15/h10-13,15-17H,3-9H2,1-2H3,(H,18,19)/t10-,11+,12-,13-,15-/m1/s1",MILZHQPVNOSJIP-WPLOAARJSA-N,C[C@H](CCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78838,,,,Q27147989,86289662,31150603,
WJ000183,ascr#10-CoA,C36H62N7O21P3S,"InChI=1S/C36H62N7O21P3S/c1-20(60-35-23(45)15-22(44)21(2)61-35)9-7-5-6-8-10-26(47)68-14-13-38-25(46)11-12-39-33(50)30(49)36(3,4)17-59-67(56,57)64-66(54,55)58-16-24-29(63-65(51,52)53)28(48)34(62-24)43-19-42-27-31(37)40-18-41-32(27)43/h18-24,28-30,34-35,44-45,48-49H,5-17H2,1-4H3,(H,38,46)(H,39,50)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/t20-,21+,22-,23-,24-,28-,29-,30+,34-,35-/m1/s1",RZJQHWLIHIAVBC-OUSLZRTPSA-N,C[C@H](CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139616,,,,,,,
WJ000184,ascr#11,C10H18O6,"InChI=1S/C10H18O6/c1-5(3-9(13)14)15-10-8(12)4-7(11)6(2)16-10/h5-8,10-12H,3-4H2,1-2H3,(H,13,14)/t5-,6+,7-,8-,10-/m1/s1",VQZVOFZWXBQLCG-MGPZHUSASA-N,C[C@H](CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78743,,,,Q27147937,86289642,31150592,
WJ000185,ascr#11-CoA,C31H52N7O21P3S,"InChI=1S/C31H52N7O21P3S/c1-15(55-30-18(40)10-17(39)16(2)56-30)9-21(42)63-8-7-33-20(41)5-6-34-28(45)25(44)31(3,4)12-54-62(51,52)59-61(49,50)53-11-19-24(58-60(46,47)48)23(43)29(57-19)38-14-37-22-26(32)35-13-36-27(22)38/h13-19,23-25,29-30,39-40,43-44H,5-12H2,1-4H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t15-,16+,17-,18-,19-,23-,24-,25+,29-,30-/m1/s1",LCKLCDFFQNBIME-KORRKESGSA-N,C[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139619,,,,,,,
WJ000186,ascr#12,C12H22O6,"InChI=1S/C12H22O6/c1-7(4-3-5-11(15)16)17-12-10(14)6-9(13)8(2)18-12/h7-10,12-14H,3-6H2,1-2H3,(H,15,16)/t7-,8+,9-,10-,12-/m1/s1",LGGOKKRYYYYXPA-VEOFNUSFSA-N,C[C@H](CCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78841,,,,Q27147991,86289663,31150604,
WJ000187,ascr#12-CoA,C33H56N7O21P3S,"InChI=1S/C33H56N7O21P3S/c1-17(57-32-20(42)12-19(41)18(2)58-32)6-5-7-23(44)65-11-10-35-22(43)8-9-36-30(47)27(46)33(3,4)14-56-64(53,54)61-63(51,52)55-13-21-26(60-62(48,49)50)25(45)31(59-21)40-16-39-24-28(34)37-15-38-29(24)40/h15-21,25-27,31-32,41-42,45-46H,5-14H2,1-4H3,(H,35,43)(H,36,47)",FOLUBALGOGRIEZ-VEFQNNLJSA-N,C[C@H](CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139622,,,,,,,
WJ000188,ascr#13,C14H24O6,"InChI=1S/C14H24O6/c1-9(6-4-3-5-7-13(17)18)19-14-12(16)8-11(15)10(2)20-14/h5,7,9-12,14-16H,3-4,6,8H2,1-2H3,(H,17,18)/b7-5+/t9-,10+,11-,12-,14-/m1/s1",OZXQOEFFYWNZJI-UYWLPYIRSA-N,C[C@H](CCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78851,,,,Q27147996,86289665,31150606,
WJ000189,ascr#13-CoA,C35H58N7O21P3S,"InChI=1S/C35H58N7O21P3S/c1-19(59-34-22(44)14-21(43)20(2)60-34)8-6-5-7-9-25(46)67-13-12-37-24(45)10-11-38-32(49)29(48)35(3,4)16-58-66(55,56)63-65(53,54)57-15-23-28(62-64(50,51)52)27(47)33(61-23)42-18-41-26-30(36)39-17-40-31(26)42/h7,9,17-23,27-29,33-34,43-44,47-48H,5-6,8,10-16H2,1-4H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/b9-7+/t19-,20+,21-,22-,23-,27-,28-,29+,33-,34-/m1/s1",BZOSSFCCBGARFP-UPNUWOGRSA-N,C[C@H](CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139625,,,,,,,
WJ000190,ascr#14,C14H26O6,"InChI=1S/C14H26O6/c1-9(6-4-3-5-7-13(17)18)19-14-12(16)8-11(15)10(2)20-14/h9-12,14-16H,3-8H2,1-2H3,(H,17,18)/t9-,10+,11-,12-,14-/m1/s1",HRHMWTOQBKRTTG-CYRBOEJBSA-N,C[C@H](CCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78905,,,,Q27148019,86289672,31150616,
WJ000191,ascr#14-CoA,C35H60N7O21P3S,"InChI=1S/C35H60N7O21P3S/c1-19(59-34-22(44)14-21(43)20(2)60-34)8-6-5-7-9-25(46)67-13-12-37-24(45)10-11-38-32(49)29(48)35(3,4)16-58-66(55,56)63-65(53,54)57-15-23-28(62-64(50,51)52)27(47)33(61-23)42-18-41-26-30(36)39-17-40-31(26)42/h17-23,27-29,33-34,43-44,47-48H,5-16H2,1-4H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/t19-,20+,21-,22-,23-,27-,28-,29+,33-,34-/m1/s1",RZUKLRGQPVCBLQ-NNDSVNHDSA-N,C[C@H](CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139628,,,,,,,
WJ000192,ascr#15,C16H28O6,"InChI=1S/C16H28O6/c1-11(8-6-4-3-5-7-9-15(19)20)21-16-14(18)10-13(17)12(2)22-16/h7,9,11-14,16-18H,3-6,8,10H2,1-2H3,(H,19,20)/b9-7+/t11-,12+,13-,14-,16-/m1/s1",MZJGOAYSXTVLMG-NSKGPKHTSA-N,C[C@H](CCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78852,,,,Q27147997,86289666,31150607,
WJ000193,ascr#15-CoA,C37H62N7O21P3S,"InChI=1S/C37H62N7O21P3S/c1-21(61-36-24(46)16-23(45)22(2)62-36)10-8-6-5-7-9-11-27(48)69-15-14-39-26(47)12-13-40-34(51)31(50)37(3,4)18-60-68(57,58)65-67(55,56)59-17-25-30(64-66(52,53)54)29(49)35(63-25)44-20-43-28-32(38)41-19-42-33(28)44/h9,11,19-25,29-31,35-36,45-46,49-50H,5-8,10,12-18H2,1-4H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/b11-9+/t21-,22+,23-,24-,25-,29-,30-,31+,35-,36-/m1/s",DRNHUKCQXFSRSS-JNLIZQSQSA-N,C[C@H](CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139631,,,,,,,
WJ000194,ascr#16,C16H30O6,"InChI=1S/C16H30O6/c1-11(8-6-4-3-5-7-9-15(19)20)21-16-14(18)10-13(17)12(2)22-16/h11-14,16-18H,3-10H2,1-2H3,(H,19,20)/t11-,12+,13-,14-,16-/m1/s1",UMKVAMCFIAMCAV-JTTNIQEDSA-N,C[C@H](CCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78950,,,,Q27148031,86289687,31150624,
WJ000195,ascr#16-CoA,C37H64N7O21P3S,"InChI=1S/C37H64N7O21P3S/c1-21(61-36-24(46)16-23(45)22(2)62-36)10-8-6-5-7-9-11-27(48)69-15-14-39-26(47)12-13-40-34(51)31(50)37(3,4)18-60-68(57,58)65-67(55,56)59-17-25-30(64-66(52,53)54)29(49)35(63-25)44-20-43-28-32(38)41-19-42-33(28)44/h19-25,29-31,35-36,45-46,49-50H,5-18H2,1-4H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/t21-,22+,23-,24-,25-,29-,30-,31+,35-,36-/m1/s1",XTCPWIMNUWLNDA-JCHDDRLYSA-N,C[C@H](CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139634,,,,,,,
WJ000196,ascr#17,C17H30O6,"InChI=1S/C17H30O6/c1-12(9-7-5-3-4-6-8-10-16(20)21)22-17-15(19)11-14(18)13(2)23-17/h8,10,12-15,17-19H,3-7,9,11H2,1-2H3,(H,20,21)/b10-8+/t12-,13+,14-,15-,17-/m1/s1",NEVPBIQTDNVVMK-KUTOLYOMSA-N,CC(CCCCCC\C=C\C(O)=O)OC1OC(C)C(O)CC1O,CHEBI:78952,,,,Q27148034,,31150625,
WJ000197,ascr#17-CoA,C38H64N7O21P3S,"InChI=1S/C38H64N7O21P3S/c1-22(62-37-25(47)17-24(46)23(2)63-37)11-9-7-5-6-8-10-12-28(49)70-16-15-40-27(48)13-14-41-35(52)32(51)38(3,4)19-61-69(58,59)66-68(56,57)60-18-26-31(65-67(53,54)55)30(50)36(64-26)45-21-44-29-33(39)42-20-43-34(29)45/h10,12,20-26,30-32,36-37,46-47,50-51H,5-9,11,13-19H2,1-4H3,(H,40,48)(H,41,52)(H,56,57)(H,58,59)(H2,39,42,43)(H2,53,54,55)/b12-10+/t22-,23+,24-,25-,26-,30-,31-,32+,36-,37-/m1/s1",NTTGTUXVGXRUEX-HUIHDKTASA-N,C[C@H](CCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139637,,,,,,,
WJ000198,ascr#18,C17H32O6,"InChI=1S/C17H32O6/c1-12(9-7-5-3-4-6-8-10-16(20)21)22-17-15(19)11-14(18)13(2)23-17/h12-15,17-19H,3-11H2,1-2H3,(H,20,21)/t12-,13+,14-,15-,17-/m1/s1",AHRWSOYISAIFOZ-JRBZFYFNSA-N,CC(CCCCCCCCC(O)=O)OC1OC(C)C(O)CC1O,CHEBI:78955,,,,Q27148038,71514784,31150627,
WJ000199,ascr#18-CoA,C38H66N7O21P3S,"InChI=1S/C38H66N7O21P3S/c1-22(62-37-25(47)17-24(46)23(2)63-37)11-9-7-5-6-8-10-12-28(49)70-16-15-40-27(48)13-14-41-35(52)32(51)38(3,4)19-61-69(58,59)66-68(56,57)60-18-26-31(65-67(53,54)55)30(50)36(64-26)45-21-44-29-33(39)42-20-43-34(29)45/h20-26,30-32,36-37,46-47,50-51H,5-19H2,1-4H3,(H,40,48)(H,41,52)(H,56,57)(H,58,59)(H2,39,42,43)(H2,53,54,55)/t22-,23+,24-,25-,26-,30-,31-,32+,36-,37-/m1/s1",LYOSJULANSOBFP-NQIYERBDSA-N,C[C@H](CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139640,,,,,,,
WJ000200,ascr#19,C18H32O6,"InChI=1S/C18H32O6/c1-13(23-18-16(20)12-15(19)14(2)24-18)10-8-6-4-3-5-7-9-11-17(21)22/h9,11,13-16,18-20H,3-8,10,12H2,1-2H3,(H,21,22)/b11-9+/t13-,14+,15-,16-,18-/m1/s1",KSEGTUNZXFPMMN-RSADRIIDSA-N,C[C@H](CCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78957,,,,Q27148040,86289690,31150628,
WJ000201,ascr#19-CoA,C39H66N7O21P3S,"InChI=1S/C39H66N7O21P3S/c1-23(63-38-26(48)18-25(47)24(2)64-38)12-10-8-6-5-7-9-11-13-29(50)71-17-16-41-28(49)14-15-42-36(53)33(52)39(3,4)20-62-70(59,60)67-69(57,58)61-19-27-32(66-68(54,55)56)31(51)37(65-27)46-22-45-30-34(40)43-21-44-35(30)46/h11,13,21-27,31-33,37-38,47-48,51-52H,5-10,12,14-20H2,1-4H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/b13-11+/t23-,24+,25-,26-,27-,31-,32-,33+,37-,38-/m1/s1",SDXGXVRQIWEAFM-KDRAIMEQSA-N,C[C@H](CCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139643,,,,,,,
WJ000202,ascr#1-CoA,C34H58N7O21P3S,"InChI=1S/C34H58N7O21P3S/c1-18(58-33-21(43)13-20(42)19(2)59-33)7-5-6-8-24(45)66-12-11-36-23(44)9-10-37-31(48)28(47)34(3,4)15-57-65(54,55)62-64(52,53)56-14-22-27(61-63(49,50)51)26(46)32(60-22)41-17-40-25-29(35)38-16-39-30(25)41/h16-22,26-28,32-33,42-43,46-47H,5-15H2,1-4H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/t18-,19+,20-,21-,22-,26-,27-,28+,32-,33-/m1/s1",JHLVPKOFYBDMGA-UCLBOIGHSA-N,C[C@H](CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139645,,,,,,,
WJ000203,ascr#2,C12H22O5,"InChI=1S/C12H22O5/c1-7(13)4-5-8(2)16-12-11(15)6-10(14)9(3)17-12/h8-12,14-15H,4-6H2,1-3H3/t8-,9+,10-,11-,12-/m1/s1",KDIFLHQRDPSWHT-IYKVGLELSA-N,C[C@H](CCC(C)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78812,,,,Q27147971,16066475,17226058,
WJ000204,ascr#20,C18H34O6,"InChI=1S/C18H34O6/c1-13(23-18-16(20)12-15(19)14(2)24-18)10-8-6-4-3-5-7-9-11-17(21)22/h13-16,18-20H,3-12H2,1-2H3,(H,21,22)/t13-,14+,15-,16-,18-/m1/s1",SNWMNYQPRXIDAR-ORDFZIBCSA-N,C[C@H](CCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78958,,,,Q27148041,86289691,31150629,
WJ000205,ascr#20-CoA,C39H68N7O21P3S,"InChI=1S/C39H68N7O21P3S/c1-23(63-38-26(48)18-25(47)24(2)64-38)12-10-8-6-5-7-9-11-13-29(50)71-17-16-41-28(49)14-15-42-36(53)33(52)39(3,4)20-62-70(59,60)67-69(57,58)61-19-27-32(66-68(54,55)56)31(51)37(65-27)46-22-45-30-34(40)43-21-44-35(30)46/h21-27,31-33,37-38,47-48,51-52H,5-20H2,1-4H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/t23-,24+,25-,26-,27-,31-,32-,33+,37-,38-/m1/s1",LTJQAXAZDNZYTJ-XMGAAXOPSA-N,C[C@H](CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139648,,,,,,,
WJ000206,ascr#21,C19H34O6,"InChI=1S/C19H34O6/c1-14(24-19-17(21)13-16(20)15(2)25-19)11-9-7-5-3-4-6-8-10-12-18(22)23/h10,12,14-17,19-21H,3-9,11,13H2,1-2H3,(H,22,23)/b12-10+/t14-,15+,16-,17-,19-/m1/s1",XUGAOOQYBZSMCP-ZXSNAGKJSA-N,C[C@H](CCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78959,,,,Q27148042,86289692,31150630,
WJ000207,ascr#21-CoA,C40H68N7O21P3S,"InChI=1S/C40H68N7O21P3S/c1-24(64-39-27(49)19-26(48)25(2)65-39)13-11-9-7-5-6-8-10-12-14-30(51)72-18-17-42-29(50)15-16-43-37(54)34(53)40(3,4)21-63-71(60,61)68-70(58,59)62-20-28-33(67-69(55,56)57)32(52)38(66-28)47-23-46-31-35(41)44-22-45-36(31)47/h12,14,22-28,32-34,38-39,48-49,52-53H,5-11,13,15-21H2,1-4H3,(H,42,50)(H,43,54)(H,58,59)(H,60,61)(H2,41,44,45)(H2,55,56,57)/b14-12+/t24-,25+,26-,27-,28-,32-,33-,34+,38-,39-/m1/s1",IJFOVOXYTMJNNT-OMZVDAQLSA-N,C[C@H](CCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139651,,,,,,,
WJ000208,ascr#22,C19H36O6,"InChI=1S/C19H36O6/c1-14(24-19-17(21)13-16(20)15(2)25-19)11-9-7-5-3-4-6-8-10-12-18(22)23/h14-17,19-21H,3-13H2,1-2H3,(H,22,23)/t14-,15+,16-,17-,19-/m1/s1",LCCMRNZRAPDWCS-FSNPWBFUSA-N,C[C@H](CCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78960,,,,Q27148043,86289693,31150631,
WJ000209,ascr#22-CoA,C40H70N7O21P3S,"InChI=1S/C40H70N7O21P3S/c1-24(64-39-27(49)19-26(48)25(2)65-39)13-11-9-7-5-6-8-10-12-14-30(51)72-18-17-42-29(50)15-16-43-37(54)34(53)40(3,4)21-63-71(60,61)68-70(58,59)62-20-28-33(67-69(55,56)57)32(52)38(66-28)47-23-46-31-35(41)44-22-45-36(31)47/h22-28,32-34,38-39,48-49,52-53H,5-21H2,1-4H3,(H,42,50)(H,43,54)(H,58,59)(H,60,61)(H2,41,44,45)(H2,55,56,57)/t24-,25+,26-,27-,28-,32-,33-,34+,38-,39-/m1/s1",NGYZNCDTCQYDGF-GVCRIRRXSA-N,C[C@H](CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139654,,,,,,,
WJ000210,ascr#23,C20H36O6,"InChI=1S/C20H36O6/c1-15(25-20-18(22)14-17(21)16(2)26-20)12-10-8-6-4-3-5-7-9-11-13-19(23)24/h11,13,15-18,20-22H,3-10,12,14H2,1-2H3,(H,23,24)/b13-11+/t15-,16+,17-,18-,20-/m1/s1",VZEGHYGOTDETNP-VKEQHCKMSA-N,C[C@H](CCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78961,,,,Q27148045,86289694,31150632,
WJ000211,ascr#23-CoA,C41H70N7O21P3S,"InChI=1S/C41H70N7O21P3S/c1-25(65-40-28(50)20-27(49)26(2)66-40)14-12-10-8-6-5-7-9-11-13-15-31(52)73-19-18-43-30(51)16-17-44-38(55)35(54)41(3,4)22-64-72(61,62)69-71(59,60)63-21-29-34(68-70(56,57)58)33(53)39(67-29)48-24-47-32-36(42)45-23-46-37(32)48/h13,15,23-29,33-35,39-40,49-50,53-54H,5-12,14,16-22H2,1-4H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/b15-13+/t25-,26+,27-,28-,29-,33-,34-,35+,39-,40-/m1/s1",UFXVOSFJYVNYID-SHZXPBJVSA-N,C[C@H](CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139657,,,,,,,
WJ000212,ascr#24,C20H38O6,"InChI=1S/C20H38O6/c1-15(25-20-18(22)14-17(21)16(2)26-20)12-10-8-6-4-3-5-7-9-11-13-19(23)24/h15-18,20-22H,3-14H2,1-2H3,(H,23,24)/t15-,16+,17-,18-,20-/m1/s1",NRXYKCLIMLPUIO-KWXDATOUSA-N,C[C@H](CCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78962,,,,Q27148046,86289695,31150633,
WJ000213,ascr#24-CoA,C41H72N7O21P3S,"InChI=1S/C41H72N7O21P3S/c1-25(65-40-28(50)20-27(49)26(2)66-40)14-12-10-8-6-5-7-9-11-13-15-31(52)73-19-18-43-30(51)16-17-44-38(55)35(54)41(3,4)22-64-72(61,62)69-71(59,60)63-21-29-34(68-70(56,57)58)33(53)39(67-29)48-24-47-32-36(42)45-23-46-37(32)48/h23-29,33-35,39-40,49-50,53-54H,5-22H2,1-4H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/t25-,26+,27-,28-,29-,33-,34-,35+,39-,40-/m1/s1",RHEUNSXBOXZGRN-MOFCAGNDSA-N,C[C@H](CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139660,,,,,,,
WJ000214,ascr#25,C21H38O6,"InChI=1S/C21H38O6/c1-16(26-21-19(23)15-18(22)17(2)27-21)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h12,14,16-19,21-23H,3-11,13,15H2,1-2H3,(H,24,25)/b14-12+/t16-,17+,18-,19-,21-/m1/s1",MTVUVHUAEUQKIN-YWWXTUTHSA-N,C[C@H](CCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78963,,,,Q27148048,86289696,31150634,
WJ000215,ascr#25-CoA,C42H72N7O21P3S,"InChI=1S/C42H72N7O21P3S/c1-26(66-41-29(51)21-28(50)27(2)67-41)15-13-11-9-7-5-6-8-10-12-14-16-32(53)74-20-19-44-31(52)17-18-45-39(56)36(55)42(3,4)23-65-73(62,63)70-72(60,61)64-22-30-35(69-71(57,58)59)34(54)40(68-30)49-25-48-33-37(43)46-24-47-38(33)49/h14,16,24-30,34-36,40-41,50-51,54-55H,5-13,15,17-23H2,1-4H3,(H,44,52)(H,45,56)(H,60,61)(H,62,63)(H2,43,46,47)(H2,57,58,59)/b16-14+/t26-,27+,28-,29-,30-,34-,35-,36+,40-,41-/m1/s1",QLEPULYDFSZHPW-LIXKYBONSA-N,C[C@H](CCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139663,,,,,,,
WJ000216,ascr#26,C21H40O6,"InChI=1S/C21H40O6/c1-16(26-21-19(23)15-18(22)17(2)27-21)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h16-19,21-23H,3-15H2,1-2H3,(H,24,25)/t16-,17+,18-,19-,21-/m1/s1",GOMRKSMHAWREDI-TWHPPBISSA-N,C[C@H](CCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78964,,,,Q27148049,86289697,31150635,
WJ000217,ascr#26-CoA,C42H74N7O21P3S,"InChI=1S/C42H74N7O21P3S/c1-26(66-41-29(51)21-28(50)27(2)67-41)15-13-11-9-7-5-6-8-10-12-14-16-32(53)74-20-19-44-31(52)17-18-45-39(56)36(55)42(3,4)23-65-73(62,63)70-72(60,61)64-22-30-35(69-71(57,58)59)34(54)40(68-30)49-25-48-33-37(43)46-24-47-38(33)49/h24-30,34-36,40-41,50-51,54-55H,5-23H2,1-4H3,(H,44,52)(H,45,56)(H,60,61)(H,62,63)(H2,43,46,47)(H2,57,58,59)/t26-,27+,28-,29-,30-,34-,35-,36+,40-,41-/m1/s1",RVYQRLOPDNJHLO-UMSZONRMSA-N,C[C@H](CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139666,,,,,,,
WJ000218,ascr#27,C22H40O6,"InChI=1S/C22H40O6/c1-17(27-22-20(24)16-19(23)18(2)28-22)14-12-10-8-6-4-3-5-7-9-11-13-15-21(25)26/h13,15,17-20,22-24H,3-12,14,16H2,1-2H3,(H,25,26)/b15-13+/t17-,18+,19-,20-,22-/m1/s1",PHSQDXKUQRUWOG-PXMSNCRXSA-N,C[C@H](CCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78965,,,,Q27148050,86289698,31150636,
WJ000219,ascr#27-CoA,C43H74N7O21P3S,"InChI=1S/C43H74N7O21P3S/c1-27(67-42-30(52)22-29(51)28(2)68-42)16-14-12-10-8-6-5-7-9-11-13-15-17-33(54)75-21-20-45-32(53)18-19-46-40(57)37(56)43(3,4)24-66-74(63,64)71-73(61,62)65-23-31-36(70-72(58,59)60)35(55)41(69-31)50-26-49-34-38(44)47-25-48-39(34)50/h15,17,25-31,35-37,41-42,51-52,55-56H,5-14,16,18-24H2,1-4H3,(H,45,53)(H,46,57)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/b17-15+/t27-,28+,29-,30-,31-,35-,36-,37+,41-,42-/m1/s1",FVMIHDGOAXLYMB-HSASIRTJSA-N,C[C@H](CCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139669,,,,,,,
WJ000220,ascr#28,C22H42O6,"InChI=1S/C22H42O6/c1-17(27-22-20(24)16-19(23)18(2)28-22)14-12-10-8-6-4-3-5-7-9-11-13-15-21(25)26/h17-20,22-24H,3-16H2,1-2H3,(H,25,26)/t17-,18+,19-,20-,22-/m1/s1",HSLYPVWJYLQYET-AIYVTKCESA-N,CC(CCCCCCCCCCCCCC(O)=O)OC1OC(C)C(O)CC1O,CHEBI:78966,,,,Q27148051,,31150637,
WJ000221,ascr#28-CoA,C43H76N7O21P3S,"InChI=1S/C43H76N7O21P3S/c1-27(67-42-30(52)22-29(51)28(2)68-42)16-14-12-10-8-6-5-7-9-11-13-15-17-33(54)75-21-20-45-32(53)18-19-46-40(57)37(56)43(3,4)24-66-74(63,64)71-73(61,62)65-23-31-36(70-72(58,59)60)35(55)41(69-31)50-26-49-34-38(44)47-25-48-39(34)50/h25-31,35-37,41-42,51-52,55-56H,5-24H2,1-4H3,(H,45,53)(H,46,57)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/t27?,28?,29?,30?,31-,35-,36-,37+,41-,42?/m1/s1",RRDVQYNRPDBKQP-QAUVGVQKSA-N,CC(CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)OC4OC(C)C(O)CC4O,CHEBI:139672,,,,,,,
WJ000222,ascr#29,C23H42O6,"InChI=1S/C23H42O6/c1-18(28-23-21(25)17-20(24)19(2)29-23)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)27/h14,16,18-21,23-25H,3-13,15,17H2,1-2H3,(H,26,27)/b16-14+/t18-,19+,20-,21-,23-/m1/s1",XUIDIXMFLJXJDI-XUAZKPKSSA-N,C[C@H](CCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78967,,,,Q27148052,86289700,31150638,
WJ000223,ascr#29-CoA,C44H76N7O21P3S,"InChI=1S/C44H76N7O21P3S/c1-28(68-43-31(53)23-30(52)29(2)69-43)17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(55)76-22-21-46-33(54)19-20-47-41(58)38(57)44(3,4)25-67-75(64,65)72-74(62,63)66-24-32-37(71-73(59,60)61)36(56)42(70-32)51-27-50-35-39(45)48-26-49-40(35)51/h16,18,26-32,36-38,42-43,52-53,56-57H,5-15,17,19-25H2,1-4H3,(H,46,54)(H,47,58)(H,62,63)(H,64,65)(H2,45,48,49)(H2,59,60,61)/b18-16+/t28-,29+,30-,31-,32-,36-,37-,38+,42-,43-/m1/s1",ACNHBEAUYZKWJY-OFUCUYLESA-N,C[C@H](CCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139675,,,,,,,
WJ000224,ascr#3,C15H26O6,"InChI=1S/C15H26O6/c1-10(7-5-3-4-6-8-14(18)19)20-15-13(17)9-12(16)11(2)21-15/h6,8,10-13,15-17H,3-5,7,9H2,1-2H3,(H,18,19)/b8-6+/t10-,11+,12-,13-,15-/m1/s1",MWGRRKDIJLJLMO-OSYKULTDSA-N,C[C@H](CCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78821,,,,Q27147975,16066476,17226059,
WJ000225,ascr#30,C23H44O6,"InChI=1S/C23H44O6/c1-18(28-23-21(25)17-20(24)19(2)29-23)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)27/h18-21,23-25H,3-17H2,1-2H3,(H,26,27)/t18-,19+,20-,21-,23-/m1/s1",XIVYAVYHUZLGIV-AIDNLNPPSA-N,C[C@H](CCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78968,,,,Q27148053,86289701,31150639,
WJ000226,ascr#30-CoA,C44H78N7O21P3S,"InChI=1S/C44H78N7O21P3S/c1-28(68-43-31(53)23-30(52)29(2)69-43)17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(55)76-22-21-46-33(54)19-20-47-41(58)38(57)44(3,4)25-67-75(64,65)72-74(62,63)66-24-32-37(71-73(59,60)61)36(56)42(70-32)51-27-50-35-39(45)48-26-49-40(35)51/h26-32,36-38,42-43,52-53,56-57H,5-25H2,1-4H3,(H,46,54)(H,47,58)(H,62,63)(H,64,65)(H2,45,48,49)(H2,59,60,61)/t28-,29+,30-,31-,32-,36-,37-,38+,42-,43-/m1/s1",CCLLNHFPRJSACA-PXGZYQLKSA-N,C[C@H](CCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139679,,,,,,,
WJ000227,ascr#31,C24H44O6,"InChI=1S/C24H44O6/c1-19(29-24-22(26)18-21(25)20(2)30-24)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23(27)28/h15,17,19-22,24-26H,3-14,16,18H2,1-2H3,(H,27,28)/b17-15+/t19-,20+,21-,22-,24-/m1/s1",AUKDJCIZWSIDEC-QGKNABGUSA-N,C[C@H](CCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78969,,,,Q27148054,86289702,31150640,
WJ000228,ascr#31-CoA,C45H78N7O21P3S,"InChI=1S/C45H78N7O21P3S/c1-29(69-44-32(54)24-31(53)30(2)70-44)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-35(56)77-23-22-47-34(55)20-21-48-42(59)39(58)45(3,4)26-68-76(65,66)73-75(63,64)67-25-33-38(72-74(60,61)62)37(57)43(71-33)52-28-51-36-40(46)49-27-50-41(36)52/h17,19,27-33,37-39,43-44,53-54,57-58H,5-16,18,20-26H2,1-4H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/b19-17+/t29-,30+,31-,32-,33-,37-,38-,39+,43-,44-/m1/s1",PGBXNMCJTCWEAK-YRWWTNLCSA-N,C[C@H](CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139682,,,,,,,
WJ000229,ascr#32,C24H46O6,"InChI=1S/C24H46O6/c1-19(29-24-22(26)18-21(25)20(2)30-24)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23(27)28/h19-22,24-26H,3-18H2,1-2H3,(H,27,28)/t19-,20+,21-,22-,24-/m1/s1",SRGDNDRZLIZKNJ-AQKHVRLOSA-N,C[C@H](CCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78970,,,,Q27148055,86289703,31150641,
WJ000230,ascr#32-CoA,C45H80N7O21P3S,"InChI=1S/C45H80N7O21P3S/c1-29(69-44-32(54)24-31(53)30(2)70-44)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-35(56)77-23-22-47-34(55)20-21-48-42(59)39(58)45(3,4)26-68-76(65,66)73-75(63,64)67-25-33-38(72-74(60,61)62)37(57)43(71-33)52-28-51-36-40(46)49-27-50-41(36)52/h27-33,37-39,43-44,53-54,57-58H,5-26H2,1-4H3,(H,47,55)(H,48,59)(H,63",LEXUARBYNCJZRF-UYLIICFWSA-N,C[C@H](CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139685,,,,,,,
WJ000231,ascr#33,C25H46O6,"InChI=1S/C25H46O6/c1-20(30-25-23(27)19-22(26)21(2)31-25)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24(28)29/h16,18,20-23,25-27H,3-15,17,19H2,1-2H3,(H,28,29)/b18-16+/t20-,21+,22-,23-,25-/m1/s1",JQBYGLLYFPDQJA-NVJHKYEUSA-N,C[C@H](CCCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78971,,,,Q27148056,86289704,31150642,
WJ000232,ascr#33-CoA,C46H80N7O21P3S,"InChI=1S/C46H80N7O21P3S/c1-30(70-45-33(55)25-32(54)31(2)71-45)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-36(57)78-24-23-48-35(56)21-22-49-43(60)40(59)46(3,4)27-69-77(66,67)74-76(64,65)68-26-34-39(73-75(61,62)63)38(58)44(72-34)53-29-52-37-41(47)50-28-51-42(37)53/h18,20,28-34,38-40,44-45,54-55,58-59H,5-17,19,21-27H2,1-4H3,(H,48,56)(H,49,60)(H,64,65)(H,66,67)(H2,47,50,51)(H2,61,62,63)/b20-18+/t30-,31+,32-,33-,34-,38-,39-,40+,44-,45-/m1/s1",JOLWLBYSXWQTIQ-PYISUOGTSA-N,C[C@H](CCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139688,,,,,,,
WJ000233,ascr#34,C25H48O6,"InChI=1S/C25H48O6/c1-20(30-25-23(27)19-22(26)21(2)31-25)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24(28)29/h20-23,25-27H,3-19H2,1-2H3,(H,28,29)/t20-,21+,22-,23-,25-/m1/s1",CGDGMTQYHSCWOZ-FYEJASGKSA-N,C[C@H](CCCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78972,,,,Q27148057,86289705,31150643,
WJ000234,ascr#34-CoA,C46H82N7O21P3S,"InChI=1S/C46H82N7O21P3S/c1-30(70-45-33(55)25-32(54)31(2)71-45)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-36(57)78-24-23-48-35(56)21-22-49-43(60)40(59)46(3,4)27-69-77(66,67)74-76(64,65)68-26-34-39(73-75(61,62)63)38(58)44(72-34)53-29-52-37-41(47)50-28-51-42(37)53/h28-34,38-40,44-45,54-55,58-59H,5-27H2,1-4H3,(H,48,56)(H,49,60)(H,64,65)(H,66,67)(H2,47,50,51)(H2,61,62,63)/t30-,31+,32-,33-,34-,38-,39-,40+,44-,45-/m1/s1",VXRIAHGMUGBBCY-LHEWSEIRSA-N,C[C@H](CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139691,,,,,,,
WJ000235,ascr#35,C26H48O6,"InChI=1S/C26H48O6/c1-21(31-26-24(28)20-23(27)22(2)32-26)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-25(29)30/h17,19,21-24,26-28H,3-16,18,20H2,1-2H3,(H,29,30)/b19-17+/t21-,22+,23-,24-,26-/m1/s1",GIUKRFWFBBFDTQ-LAOJQUNESA-N,C[C@H](CCCCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78973,,,,Q27148058,86289706,31150644,
WJ000236,ascr#35-CoA,C47H82N7O21P3S,"InChI=1S/C47H82N7O21P3S/c1-31(71-46-34(56)26-33(55)32(2)72-46)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-37(58)79-25-24-49-36(57)22-23-50-44(61)41(60)47(3,4)28-70-78(67,68)75-77(65,66)69-27-35-40(74-76(62,63)64)39(59)45(73-35)54-30-53-38-42(48)51-29-52-43(38)54/h19,21,29-35,39-41,45-46,55-56,59-60H,5-18,20,22-28H2,1-4H3,(H,49,57)(H,50,61)(H,65,66)(H,67,68)(H2,48,51,52)(H2,62,63,64)/b21-19+/t31-,32+,33-,34-,35-,39-,40-,41+,45-,46-/m1/s",XYAXNAMSUNUDIK-YNGOTIRLSA-N,C[C@H](CCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139694,,,,,,,
WJ000237,ascr#36,C26H50O6,"InChI=1S/C26H50O6/c1-21(31-26-24(28)20-23(27)22(2)32-26)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-25(29)30/h21-24,26-28H,3-20H2,1-2H3,(H,29,30)/t21-,22+,23-,24-,26-/m1/s1",HXSYLHMSXGUNTO-DHWOPMESSA-N,C[C@H](CCCCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78974,,,,Q27148060,86289707,31150645,
WJ000238,ascr#36-CoA,C47H84N7O21P3S,"InChI=1S/C47H84N7O21P3S/c1-31(71-46-34(56)26-33(55)32(2)72-46)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-37(58)79-25-24-49-36(57)22-23-50-44(61)41(60)47(3,4)28-70-78(67,68)75-77(65,66)69-27-35-40(74-76(62,63)64)39(59)45(73-35)54-30-53-38-42(48)51-29-52-43(38)54/h29-35,39-41,45-46,55-56,59-60H,5-28H2,1-4H3,(H,49,57)(H,50,61)(H,65,66)(H,67,68)(H2,48,51,52)(H2,62,63,64)/t31-,32+,33-,34-,35-,39-,40-,41+,45-,46-/m1/s1",WSYUIORUTAGAAC-YKORAKNESA-N,C[C@H](CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139697,,,,,,,
WJ000239,ascr#37,C27H50O6,"InChI=1S/C27H50O6/c1-22(32-27-25(29)21-24(28)23(2)33-27)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-26(30)31/h18,20,22-25,27-29H,3-17,19,21H2,1-2H3,(H,30,31)/b20-18+/t22-,23+,24-,25-,27-/m1/s1",IRXQRQDBIJEMEI-OQERHXAMSA-N,C[C@H](CCCCCCCCCCCCCCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78975,,,,Q27148061,86289708,31150646,
WJ000240,ascr#37-CoA,C48H84N7O21P3S,"InChI=1S/C48H84N7O21P3S/c1-32(72-47-35(57)27-34(56)33(2)73-47)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-38(59)80-26-25-50-37(58)23-24-51-45(62)42(61)48(3,4)29-71-79(68,69)76-78(66,67)70-28-36-41(75-77(63,64)65)40(60)46(74-36)55-31-54-39-43(49)52-30-53-44(39)55/h20,22,30-36,40-42,46-47,56-57,60-61H,5-19,21,23-29H2,1-4H3,(H,50,58)(H,51,62)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/b22-20+/t32-,33+,34-,35-,36-,40-,41-,42+,46-,47-/m1/s1",XNBBZGOWLSWVFT-PKLBZRTESA-N,C[C@H](CCCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139700,,,,,,,
WJ000241,ascr#38,C27H52O6,"InChI=1S/C27H52O6/c1-22(32-27-25(29)21-24(28)23(2)33-27)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-26(30)31/h22-25,27-29H,3-21H2,1-2H3,(H,30,31)/t22-,23+,24-,25-,27-/m1/s1",NISHIBVYPLRXFI-VYXBAIFMSA-N,C[C@H](CCCCCCCCCCCCCCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78976,,,,Q27148063,86289709,31150647,
WJ000242,ascr#38-CoA,C48H86N7O21P3S,"InChI=1S/C48H86N7O21P3S/c1-32(72-47-35(57)27-34(56)33(2)73-47)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-38(59)80-26-25-50-37(58)23-24-51-45(62)42(61)48(3,4)29-71-79(68,69)76-78(66,67)70-28-36-41(75-77(63,64)65)40(60)46(74-36)55-31-54-39-43(49)52-30-53-44(39)55/h30-36,40-42,46-47,56-57,60-61H,5-29H2,1-4H3,(H,50,58)(H,51,62)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t32-,33+,34-,35-,36-,40-,41-,42+,46-,47-/m1/s1",JTCPZVKUUJIJGR-ZZJOQUIBSA-N,C[C@H](CCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139703,,,,,,,
WJ000243,ascr#3-CoA,C36H60N7O21P3S,"InChI=1S/C36H60N7O21P3S/c1-20(60-35-23(45)15-22(44)21(2)61-35)9-7-5-6-8-10-26(47)68-14-13-38-25(46)11-12-39-33(50)30(49)36(3,4)17-59-67(56,57)64-66(54,55)58-16-24-29(63-65(51,52)53)28(48)34(62-24)43-19-42-27-31(37)40-18-41-32(27)43/h8,10,18-24,28-30,34-35,44-45,48-49H,5-7,9,11-17H2,1-4H3,(H,38,46)(H,39,50)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/b10-8+/t20-,21+,22-,23-,24-,28-,29-,30+,34-,35-/m1/s1",LJNHJSMQBSSAJU-RSGXBDOCSA-N,C[C@H](CCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139705,,,,,,,
WJ000244,ascr#5,C9H16O6,"InChI=1S/C9H16O6/c1-5-6(10)4-7(11)9(15-5)14-3-2-8(12)13/h5-7,9-11H,2-4H2,1H3,(H,12,13)/t5-,6+,7+,9+/m0/s1",RYYMJVGKZLQYPG-YYWONIAYSA-N,C[C@@H]1O[C@@H](OCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:78829,,,,Q27147980,44202063,26394943,
WJ000245,ascr#5-CoA,C30H50N7O21P3S,"InChI=1S/C30H50N7O21P3S/c1-15-16(38)10-17(39)29(55-15)52-8-5-20(41)62-9-7-32-19(40)4-6-33-27(44)24(43)30(2,3)12-54-61(50,51)58-60(48,49)53-11-18-23(57-59(45,46)47)22(42)28(56-18)37-14-36-21-25(31)34-13-35-26(21)37/h13-18,22-24,28-29,38-39,42-43H,4-12H2,1-3H3,(H,32,40)(H,33,44)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/t15-,16+,17+,18+,22+,23+,24-,28+,29+/m0/s1",HLMBFYDZMWTTKY-NBUDWVCKSA-N,C[C@@H]1O[C@@H](OCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139708,,,,,,,
WJ000246,ascr#7,C13H22O6,"InChI=1S/C13H22O6/c1-8(5-3-4-6-12(16)17)18-13-11(15)7-10(14)9(2)19-13/h4,6,8-11,13-15H,3,5,7H2,1-2H3,(H,16,17)/b6-4+/t8-,9+,10-,11-,13-/m1/s1",GGHOMCWJOMBZEK-LHYQPRBASA-N,C[C@H](CC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78830,,,,Q27147981,86289656,31150600,
WJ000247,ascr#7-CoA,C34H56N7O21P3S,"InChI=1S/C34H56N7O21P3S/c1-18(58-33-21(43)13-20(42)19(2)59-33)7-5-6-8-24(45)66-12-11-36-23(44)9-10-37-31(48)28(47)34(3,4)15-57-65(54,55)62-64(52,53)56-14-22-27(61-63(49,50)51)26(46)32(60-22)41-17-40-25-29(35)38-16-39-30(25)41/h6,8,16-22,26-28,32-33,42-43,46-47H,5,7,9-15H2,1-4H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/b8-6+/t18-,19+,20-,21-,22-,26-,27-,28+,32-,33-/m1/s1",SESCPHWMUINXHL-JHOQZYNTSA-N,C[C@H](CC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139711,,,,,,,
WJ000248,ascr#8,C20H27NO7,"InChI=1S/C20H27NO7/c1-12(27-20-17(23)11-16(22)13(2)28-20)5-3-4-6-18(24)21-15-9-7-14(8-10-15)19(25)26/h4,6-10,12-13,16-17,20,22-23H,3,5,11H2,1-2H3,(H,21,24)(H,25,26)/b6-4+/t12-,13+,16-,17-,20-/m1/s1",WMKIQPAVTRWYKZ-XPUFHXNMSA-N,C[C@H](CC\C=C\C(=O)NC1=CC=C(C=C1)C(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:78834,,,,Q27147985,86289660,31150602,
WJ000249,ascr#9,C11H20O6,"InChI=1S/C11H20O6/c1-6(3-4-10(14)15)16-11-9(13)5-8(12)7(2)17-11/h6-9,11-13H,3-5H2,1-2H3,(H,14,15)/t6-,7+,8-,9-,11-/m1/s1",NZMXMOQNHSVRAJ-WNPHYYBUSA-N,C[C@H](CCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79018,,,,Q27148097,71514783,31150664,
WJ000250,ascr#9-CoA,C32H54N7O21P3S,"InChI=1S/C32H54N7O21P3S/c1-16(56-31-19(41)11-18(40)17(2)57-31)5-6-22(43)64-10-9-34-21(42)7-8-35-29(46)26(45)32(3,4)13-55-63(52,53)60-62(50,51)54-12-20-25(59-61(47,48)49)24(44)30(58-20)39-15-38-23-27(33)36-14-37-28(23)39/h14-20,24-26,30-31,40-41,44-45H,5-13H2,1-4H3,(H,34,42)(H,35,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t16-,17+,18-,19-,20-,24-,25-,26+,30-,31-/m1/s1",HVPROCKVGKTEMD-XLWBODOSSA-N,C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139715,,,,,,,
WJ000251,ascarylopyranose,C6H12O4,"InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5+,6?/m0/s1",KYPWIZMAJMNPMJ-JMSAOHGTSA-N,C[C@@H]1OC(O)[C@H](O)C[C@H]1O,CHEBI:78771,,,,Q27147950,12303781,31150594,
WJ000252,L-adenosylselenohomocysteine,C14H20N6O5Se,"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",UVSMMLABJBJNGH-WFMPWKQPSA-N,N[C@@H](CC[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O,CHEBI:77028,C05692,HMDB62526;HMDB11117;HMDB0062526,,Q27146558,446317,393706,
WJ000253,L-asparagine,C4H8N2O3,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",DCXYFEDJOCDNAF-REOHCLBHSA-N,N[C@@H](CC(N)=O)C(O)=O,CHEBI:17196,C00152,HMDB0000168;HMDB00168,,Q29519883,6267,6031,DTXSID10883220
WJ000254,arsenous acid,AsH3O3,InChI=1S/AsH3O3/c2-1(3)4/h2-4H,GCPXMJHSNVMWNM-UHFFFAOYSA-N,O[As](O)O,CHEBI:49900,C13619,HMDB11620;HMDB0011620,,Q423271,545,530,DTXSID7074828
WJ000255,arsenic acid,AsH3O4,"InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)",DJHGAFSJWGLOIV-UHFFFAOYSA-N,O[As](O)(O)=O,CHEBI:18231,C01478,HMDB0012190;HMDB12190,,Q413334,234,229,DTXSID1034341
WJ000256,D-aspartic acid,C4H7NO4,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1",CKLJMWTZIZZHCS-UWTATZPHSA-N,N[C@H](CC(O)=O)C(O)=O,CHEBI:17364;CHEBI:41764,C00402,HMDB06483;HMDB0006483,,Q27076990,83887,75697,DTXSID2045650
WJ000257,L-aspartic acid,C4H7NO4,"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1",CKLJMWTZIZZHCS-REOHCLBHSA-N,N[C@@H](CC(O)=O)C(O)=O,CHEBI:17053;CHEBI:21244,C00049,HMDB00191;HMDB0000191,,Q178450,5960,5745,DTXSID7022621
WJ000258,"androst-5-ene-3,17-dione",C19H26O2,"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",SQGZFRITSMYKRH-QAGGRKNESA-N,[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(=O)CC[C@]12C,CHEBI:83865,C20252,HMDB62415;HMDB0062415,,Q15277399,160531,141063,
WJ000259,L-allothreonine,C4H9NO3,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1",AYFVYJQAPQTCCC-HRFVKAFMSA-N,C[C@H](O)[C@H](N)C(O)=O,CHEBI:28718,C05519,HMDB04041;HMDB0004041,,Q27103859,99289,89699,DTXSID10183151
WJ000260,ATP,C10H16N5O13P3,"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",ZKHQWZAMYRWXGA-KQYNXXCUSA-N,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,CHEBI:15422,C00002,HMDB00538;HMDB0000538,,,5957,5742,DTXSID6022559
WJ000261,crotonoyl-CoA,C25H40N7O17P3S,"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)/b5-4+/t14-,18-,19-,20+,24-/m1/s1",KFWWCMJSYSSPSK-PAXLJYGASA-N,C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15473,C00877,HMDB02009;HMDB0059627;HMDB59627,LMFA07050307,Q303169,5497143,4593713,
WJ000262,beta-alanine betaine,C6H13NO2,"InChI=1S/C6H13NO2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3",ACZVSMNFVFBOTM-UHFFFAOYSA-N,C[N+](C)(C)CCC([O-])=O,CHEBI:28825,C08263,,,Q27103917,441440,390173,
WJ000263,Betaine aldehyde,C5H12NO,"InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1",SXKNCCSPZDCRFD-UHFFFAOYSA-N,[H]C(=O)C[N+](C)(C)C,CHEBI:15710,C00576,HMDB01252;HMDB0001252,,Q10859645,249,244,DTXSID20225152
WJ000264,betanidin,C18H16N2O8,"InChI=1S/C18H16N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13,21-22H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/t11-,13-/m0/s1",BBJUSJOGHYQDQX-AAEUAGOBSA-N,[H]C(=CN1[C@@H](CC2=C1C=C(O)C(O)=C2)C(O)=O)C1=CC(=N[C@@H](C1)C(O)=O)C(O)=O,CHEBI:3079,C08539,,,Q27105937,,21864734,
WJ000265,betanidin quinone,C18H14N2O8,"InChI=1S/C18H14N2O8/c21-14-6-9-5-13(18(27)28)20(12(9)7-15(14)22)2-1-8-3-10(16(23)24)19-11(4-8)17(25)26/h1-3,6-7,11,13H,4-5H2,(H,23,24)(H,25,26)(H,27,28)/t11-,13-/m0/s1",WAVPHGICHZOYMQ-AAEUAGOBSA-N,OC(=O)[C@@H]1CC2=CC(=O)C(=O)C=C2N1C=CC1=CC(=N[C@@H](C1)C(O)=O)C(O)=O,CHEBI:133394,,,,,,,
WJ000266,bhas#1,C13H24O7,"InChI=1S/C13H24O7/c1-7(3-4-9(14)5-12(17)18)19-13-11(16)6-10(15)8(2)20-13/h7-11,13-16H,3-6H2,1-2H3,(H,17,18)/t7-,8+,9+,10-,11-,13-/m1/s1",LIEFCBSFNITGPQ-JNSYVGBKSA-N,C[C@H](CC[C@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139717,,,,,,,
WJ000267,bhas#10,C15H28O7,"InChI=1S/C15H28O7/c1-9(5-3-4-6-11(16)7-14(19)20)21-15-13(18)8-12(17)10(2)22-15/h9-13,15-18H,3-8H2,1-2H3,(H,19,20)/t9-,10+,11-,12-,13-,15-/m1/s1",WNUSOZJRAZSLBP-AOWZIMASSA-N,C[C@H](CCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79223,,,,Q27148275,86289814,31150747,
WJ000268,bhas#10-CoA,C36H62N7O22P3S,"InChI=1S/C36H62N7O22P3S/c1-19(61-35-23(46)14-22(45)20(2)62-35)7-5-6-8-21(44)13-26(48)69-12-11-38-25(47)9-10-39-33(51)30(50)36(3,4)16-60-68(57,58)65-67(55,56)59-15-24-29(64-66(52,53)54)28(49)34(63-24)43-18-42-27-31(37)40-17-41-32(27)43/h17-24,28-30,34-35,44-46,49-50H,5-16H2,1-4H3,(H,38,47)(H,39,51)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/t19-,20+,21-,22-,23-,24-,28-,29-,30+,34-,35-/m1/s1",ABHJRUGLNZRBIH-SLNSTPALSA-N,C[C@H](CCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139720,,,,,,,
WJ000269,bhas#12,C12H22O7,"InChI=1S/C12H22O7/c1-6(3-8(13)4-11(16)17)18-12-10(15)5-9(14)7(2)19-12/h6-10,12-15H,3-5H2,1-2H3,(H,16,17)/t6-,7+,8-,9-,10-,12-/m1/s1",ZWVCIFMJGVSXAP-BVTIPKRDSA-N,C[C@H](C[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139722,,,,,,,
WJ000270,bhas#12-CoA,C33H56N7O22P3S,"InChI=1S/C33H56N7O22P3S/c1-16(58-32-20(43)11-19(42)17(2)59-32)9-18(41)10-23(45)66-8-7-35-22(44)5-6-36-30(48)27(47)33(3,4)13-57-65(54,55)62-64(52,53)56-12-21-26(61-63(49,50)51)25(46)31(60-21)40-15-39-24-28(34)37-14-38-29(24)40/h14-21,25-27,31-32,41-43,46-47H,5-13H2,1-4H3,(H,35,44)(H,36,48)(H,52,53)(H,54,55)(H2,34,37,38)(H2,49,50,51)/t16-,17+,18-,19-,20-,21-,25-,26-,27+,31-,32-/m1/s",XBAWSFFIUSWJMC-FHHZALDKSA-N,C[C@H](C[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139724,,,,,,,
WJ000271,bhas#14,C14H26O7,"InChI=1S/C14H26O7/c1-8(4-3-5-10(15)6-13(18)19)20-14-12(17)7-11(16)9(2)21-14/h8-12,14-17H,3-7H2,1-2H3,(H,18,19)/t8-,9+,10-,11-,12-,14-/m1/s1",SRSINORKWDRXFU-SVALUAMDSA-N,C[C@H](CCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139726,,,,,,,
WJ000272,bhas#14-CoA,C35H60N7O22P3S,"InChI=1S/C35H60N7O22P3S/c1-18(60-34-22(45)13-21(44)19(2)61-34)6-5-7-20(43)12-25(47)68-11-10-37-24(46)8-9-38-32(50)29(49)35(3,4)15-59-67(56,57)64-66(54,55)58-14-23-28(63-65(51,52)53)27(48)33(62-23)42-17-41-26-30(36)39-16-40-31(26)42/h16-23,27-29,33-34,43-45,48-49H,5-15H2,1-4H3,(H,37,46)(H,38,50)(H,54,55)(H,56,57)(H2,36,39,40)(H2,51,52,53)/t18-,19+,20-,21-,22-,23-,27-,28-,29+,33-,34-/m1/s1",LMCNGJXGQWTHKD-SZMMRAMESA-N,C[C@H](CCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139728,,,,,,,
WJ000273,bhas#16,C16H30O7,"InChI=1S/C16H30O7/c1-10(6-4-3-5-7-12(17)8-15(20)21)22-16-14(19)9-13(18)11(2)23-16/h10-14,16-19H,3-9H2,1-2H3,(H,20,21)/t10-,11+,12-,13-,14-,16-/m1/s1",XLKCBPRCWUMKHY-NVWMEEMDSA-N,C[C@H](CCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79227,,,,Q27148278,86289816,31150749,
WJ000274,bhas#16-CoA,C37H64N7O22P3S,"InChI=1S/C37H64N7O22P3S/c1-20(62-36-24(47)15-23(46)21(2)63-36)8-6-5-7-9-22(45)14-27(49)70-13-12-39-26(48)10-11-40-34(52)31(51)37(3,4)17-61-69(58,59)66-68(56,57)60-16-25-30(65-67(53,54)55)29(50)35(64-25)44-19-43-28-32(38)41-18-42-33(28)44/h18-25,29-31,35-36,45-47,50-51H,5-17H2,1-4H3,(H,39,48)(H,40,52)(H,56,57)(H,58,59)(H2,38,41,42)(H2,53,54,55)/t20-,21+,22-,23-,24-,25-,29-,30-,31+,35-,36-/m1/s1",JCUONTDMGOHBKY-XRJVTYHBSA-N,C[C@H](CCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139731,,,,,,,
WJ000275,bhas#18,C17H32O7,"InChI=1S/C17H32O7/c1-11(23-17-15(20)10-14(19)12(2)24-17)7-5-3-4-6-8-13(18)9-16(21)22/h11-15,17-20H,3-10H2,1-2H3,(H,21,22)/t11-,12+,13-,14-,15-,17-/m1/s1",NJSZAOQCCDFSCR-DZGCXMPZSA-N,C[C@H](CCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79229,,,,Q27148280,86289818,31150751,
WJ000276,bhas#18-CoA,C38H66N7O22P3S,"InChI=1S/C38H66N7O22P3S/c1-21(63-37-25(48)16-24(47)22(2)64-37)9-7-5-6-8-10-23(46)15-28(50)71-14-13-40-27(49)11-12-41-35(53)32(52)38(3,4)18-62-70(59,60)67-69(57,58)61-17-26-31(66-68(54,55)56)30(51)36(65-26)45-20-44-29-33(39)42-19-43-34(29)45/h19-26,30-32,36-37,46-48,51-52H,5-18H2,1-4H3,(H,40,49)(H,41,53)(H,57,58)(H,59,60)(H2,39,42,43)(H2,54,55,56)/t21-,22+,23-,24-,25-,26-,30-,31-,32+,36-,37-/m1/s1",BCEVLFLZEOWTTI-VDJIOSEESA-N,C[C@H](CCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139734,,,,,,,
WJ000277,bhas#1-CoA,C34H58N7O22P3S,"InChI=1S/C34H58N7O22P3S/c1-17(59-33-21(44)12-20(43)18(2)60-33)5-6-19(42)11-24(46)67-10-9-36-23(45)7-8-37-31(49)28(48)34(3,4)14-58-66(55,56)63-65(53,54)57-13-22-27(62-64(50,51)52)26(47)32(61-22)41-16-40-25-29(35)38-15-39-30(25)41/h15-22,26-28,32-33,42-44,47-48H,5-14H2,1-4H3,(H,36,45)(H,37,49)(H,53,54)(H,55,56)(H2,35,38,39)(H2,50,51,52)/t17-,18+,19+,20-,21-,22-,26-,27-,28+,32-,33-/m1/s1",VNRGWZVCJQQVTD-YYKFPHJGSA-N,C[C@H](CC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139736,,,,,,,
WJ000278,bhas#20,C18H34O7,"InChI=1S/C18H34O7/c1-12(24-18-16(21)11-15(20)13(2)25-18)8-6-4-3-5-7-9-14(19)10-17(22)23/h12-16,18-21H,3-11H2,1-2H3,(H,22,23)/t12-,13+,14-,15-,16-,18-/m1/s1",LOQQYUUEPVHUQQ-RDEONCLASA-N,C[C@H](CCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79230,,,,Q27148281,86289819,31150752,
WJ000279,bhas#20-CoA,C39H68N7O22P3S,"InChI=1S/C39H68N7O22P3S/c1-22(64-38-26(49)17-25(48)23(2)65-38)10-8-6-5-7-9-11-24(47)16-29(51)72-15-14-41-28(50)12-13-42-36(54)33(53)39(3,4)19-63-71(60,61)68-70(58,59)62-18-27-32(67-69(55,56)57)31(52)37(66-27)46-21-45-30-34(40)43-20-44-35(30)46/h20-27,31-33,37-38,47-49,52-53H,5-19H2,1-4H3,(H,41,50)(H,42,54)(H,58,59)(H,60,61)(H2,40,43,44)(H2,55,56,57)/t22-,23+,24-,25-,26-,27-,31-,32-,33+,37-,38-/m1/s1",IHZFDLUHVLMDSE-XRJSQUDDSA-N,C[C@H](CCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139739,,,,,,,
WJ000280,bhas#22,C19H36O7,"InChI=1S/C19H36O7/c1-13(25-19-17(22)12-16(21)14(2)26-19)9-7-5-3-4-6-8-10-15(20)11-18(23)24/h13-17,19-22H,3-12H2,1-2H3,(H,23,24)/t13-,14+,15-,16-,17-,19-/m1/s1",ARJGFPSUJRWUSF-CQQDWVGSSA-N,C[C@H](CCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79231,,,,Q27148282,86289820,31150753,
WJ000281,bhas#22-CoA,C40H70N7O22P3S,"InChI=1S/C40H70N7O22P3S/c1-23(65-39-27(50)18-26(49)24(2)66-39)11-9-7-5-6-8-10-12-25(48)17-30(52)73-16-15-42-29(51)13-14-43-37(55)34(54)40(3,4)20-64-72(61,62)69-71(59,60)63-19-28-33(68-70(56,57)58)32(53)38(67-28)47-22-46-31-35(41)44-21-45-36(31)47/h21-28,32-34,38-39,48-50,53-54H,5-20H2,1-4H3,(H,42,51)(H,43,55)(H,59,60)(H,61,62)(H2,41,44,45)(H2,56,57,58)/t23-,24+,25-,26-,27-,28-,32-,33-,34+,38-,39-/m1/s1",WCLZJUARWWPEGO-OMUZDNNPSA-N,C[C@H](CCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139742,,,,,,,
WJ000282,bhas#24,C20H38O7,"InChI=1S/C20H38O7/c1-14(26-20-18(23)13-17(22)15(2)27-20)10-8-6-4-3-5-7-9-11-16(21)12-19(24)25/h14-18,20-23H,3-13H2,1-2H3,(H,24,25)/t14-,15+,16-,17-,18-,20-/m1/s1",UXIWWNCPRZIUAB-XGZVRMHOSA-N,C[C@H](CCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79232,,,,Q27148284,86289821,31150754,
WJ000283,bhas#24-CoA,C41H72N7O22P3S,"InChI=1S/C41H72N7O22P3S/c1-24(66-40-28(51)19-27(50)25(2)67-40)12-10-8-6-5-7-9-11-13-26(49)18-31(53)74-17-16-43-30(52)14-15-44-38(56)35(55)41(3,4)21-65-73(62,63)70-72(60,61)64-20-29-34(69-71(57,58)59)33(54)39(68-29)48-23-47-32-36(42)45-22-46-37(32)48/h22-29,33-35,39-40,49-51,54-55H,5-21H2,1-4H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/t24-,25+,26-,27-,28-,29-,33-,34-,35+,39-,40-/m1/s1",FYBKTGFMMIVAMX-BFCOYXHPSA-N,C[C@H](CCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139745,,,,,,,
WJ000284,bhas#26,C21H40O7,"InChI=1S/C21H40O7/c1-15(27-21-19(24)14-18(23)16(2)28-21)11-9-7-5-3-4-6-8-10-12-17(22)13-20(25)26/h15-19,21-24H,3-14H2,1-2H3,(H,25,26)/t15-,16+,17-,18-,19-,21-/m1/s1",WDFCEBWMCPQIFZ-XBIRKDKFSA-N,C[C@H](CCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79233,,,,Q27148285,86289822,31150755,
WJ000285,bhas#26-CoA,C42H74N7O22P3S,"InChI=1S/C42H74N7O22P3S/c1-25(67-41-29(52)20-28(51)26(2)68-41)13-11-9-7-5-6-8-10-12-14-27(50)19-32(54)75-18-17-44-31(53)15-16-45-39(57)36(56)42(3,4)22-66-74(63,64)71-73(61,62)65-21-30-35(70-72(58,59)60)34(55)40(69-30)49-24-48-33-37(43)46-23-47-38(33)49/h23-30,34-36,40-41,50-52,55-56H,5-22H2,1-4H3,(H,44,53)(H,45,57)(H,61,62)(H,63,64)(H2,43,46,47)(H2,58,59,60)/t25-,26+,27-,28-,29-,30-,34-,35-,36+,40-,41-/m1/s1",IITVBXVYXBIMDR-PYTUUMMTSA-N,C[C@H](CCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139748,,,,,,,
WJ000286,bhas#28,C22H42O7,"InChI=1S/C22H42O7/c1-16(28-22-20(25)15-19(24)17(2)29-22)12-10-8-6-4-3-5-7-9-11-13-18(23)14-21(26)27/h16-20,22-25H,3-15H2,1-2H3,(H,26,27)/t16-,17+,18-,19-,20-,22-/m1/s1",QQIOQZRDFXAPQI-IGKFWFGWSA-N,C[C@H](CCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79234,,,,Q27148286,86289823,31150756,
WJ000287,bhas#28-CoA,C43H76N7O22P3S,"InChI=1S/C43H76N7O22P3S/c1-26(68-42-30(53)21-29(52)27(2)69-42)14-12-10-8-6-5-7-9-11-13-15-28(51)20-33(55)76-19-18-45-32(54)16-17-46-40(58)37(57)43(3,4)23-67-75(64,65)72-74(62,63)66-22-31-36(71-73(59,60)61)35(56)41(70-31)50-25-49-34-38(44)47-24-48-39(34)50/h24-31,35-37,41-42,51-53,56-57H,5-23H2,1-4H3,(H,45,54)(H,46,58)(H,62,63)(H,64,65)(H2,44,47,48)(H2,59,60,61)/t26-,27+,28-,29-,30-,31-,35-,36-,37+,41-,42-/m1/s",RLSGUZNIMQYCMW-YYQFBSEUSA-N,C[C@H](CCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139751,,,,,,,
WJ000288,bhas#30,C23H44O7,"InChI=1S/C23H44O7/c1-17(29-23-21(26)16-20(25)18(2)30-23)13-11-9-7-5-3-4-6-8-10-12-14-19(24)15-22(27)28/h17-21,23-26H,3-16H2,1-2H3,(H,27,28)/t17-,18+,19-,20-,21-,23-/m1/s1",MUVQYJIVDRBMJO-XBTHPWMNSA-N,C[C@H](CCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79235,,,,Q27148287,86289824,31150757,
WJ000289,bhas#30-CoA,C44H78N7O22P3S,"InChI=1S/C44H78N7O22P3S/c1-27(69-43-31(54)22-30(53)28(2)70-43)15-13-11-9-7-5-6-8-10-12-14-16-29(52)21-34(56)77-20-19-46-33(55)17-18-47-41(59)38(58)44(3,4)24-68-76(65,66)73-75(63,64)67-23-32-37(72-74(60,61)62)36(57)42(71-32)51-26-50-35-39(45)48-25-49-40(35)51/h25-32,36-38,42-43,52-54,57-58H,5-24H2,1-4H3,(H,46,55)(H,47,59)(H,63,64)(H,65,66)(H2,45,48,49)(H2,60,61,62)/t27-,28+,29-,30-,31-,32-,36-,37-,38+,42-,43-/m1/s1",WQGYPMZVURQWPT-HNRDPMOBSA-N,C[C@H](CCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139754,,,,,,,
WJ000290,bhas#32,C24H46O7,"InChI=1S/C24H46O7/c1-18(30-24-22(27)17-21(26)19(2)31-24)14-12-10-8-6-4-3-5-7-9-11-13-15-20(25)16-23(28)29/h18-22,24-27H,3-17H2,1-2H3,(H,28,29)/t18-,19+,20-,21-,22-,24-/m1/s1",FHMZFRKIYGFIOX-RQOGSKLQSA-N,C[C@H](CCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79236,,,,Q27148290,86289825,31150758,
WJ000291,bhas#32-CoA,C45H80N7O22P3S,"InChI=1S/C45H80N7O22P3S/c1-28(70-44-32(55)23-31(54)29(2)71-44)16-14-12-10-8-6-5-7-9-11-13-15-17-30(53)22-35(57)78-21-20-47-34(56)18-19-48-42(60)39(59)45(3,4)25-69-77(66,67)74-76(64,65)68-24-33-38(73-75(61,62)63)37(58)43(72-33)52-27-51-36-40(46)49-26-50-41(36)52/h26-33,37-39,43-44,53-55,58-59H,5-25H2,1-4H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/t28-,29+,30-,31-,32-,33-,37-,38-,39+,43-,44-/m1/s1",YCEOSNLYHRNHND-OYXRDPLTSA-N,C[C@H](CCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139757,,,,,,,
WJ000292,bhas#34,C25H48O7,"InChI=1S/C25H48O7/c1-19(31-25-23(28)18-22(27)20(2)32-25)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(26)17-24(29)30/h19-23,25-28H,3-18H2,1-2H3,(H,29,30)/t19-,20+,21-,22-,23-,25-/m1/s1",PRXKHETUIWVNNB-MYSWHGEBSA-N,C[C@H](CCCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79237,,,,Q27148291,86289826,31150759,
WJ000293,bhas#34-CoA,C46H82N7O22P3S,"InChI=1S/C46H82N7O22P3S/c1-29(71-45-33(56)24-32(55)30(2)72-45)17-15-13-11-9-7-5-6-8-10-12-14-16-18-31(54)23-36(58)79-22-21-48-35(57)19-20-49-43(61)40(60)46(3,4)26-70-78(67,68)75-77(65,66)69-25-34-39(74-76(62,63)64)38(59)44(73-34)53-28-52-37-41(47)50-27-51-42(37)53/h27-34,38-40,44-45,54-56,59-60H,5-26H2,1-4H3,(H,48,57)(H,49,61)(H,65,66)(H,67,68)(H2,47,50,51)(H2,62,63,64)/t29-,30+,31-,32-,33-,34-,38-,39-,40+,44-,45-/m1/s",WIDCLROOGINGDA-DXSSGSNISA-N,C[C@H](CCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139760,,,,,,,
WJ000294,bhas#36,C26H50O7,"InChI=1S/C26H50O7/c1-20(32-26-24(29)19-23(28)21(2)33-26)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22(27)18-25(30)31/h20-24,26-29H,3-19H2,1-2H3,(H,30,31)/t20-,21+,22-,23-,24-,26-/m1/s1",SJIIOKVLMUJXBB-VFRMFGFGSA-N,C[C@H](CCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79238,,,,Q27148292,86289827,31150760,
WJ000295,bhas#36-CoA,C47H84N7O22P3S,"InChI=1S/C47H84N7O22P3S/c1-30(72-46-34(57)25-33(56)31(2)73-46)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-32(55)24-37(59)80-23-22-49-36(58)20-21-50-44(62)41(61)47(3,4)27-71-79(68,69)76-78(66,67)70-26-35-40(75-77(63,64)65)39(60)45(74-35)54-29-53-38-42(48)51-28-52-43(38)54/h28-35,39-41,45-46,55-57,60-61H,5-27H2,1-4H3,(H,49,58)(H,50,62)(H,66,67)(H,68,69)(H2,48,51,52)(H2,63,64,65)/t30-,31+,32-,33-,34-,35-,39-,40-,41+,45-,46-/m1/s1",JQGFHUYZMIUIEP-QGTZMMSPSA-N,C[C@H](CCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139763,,,,,,,
WJ000296,bhas#38,C27H52O7,"InChI=1S/C27H52O7/c1-21(33-27-25(30)20-24(29)22(2)34-27)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(28)19-26(31)32/h21-25,27-30H,3-20H2,1-2H3,(H,31,32)/t21-,22+,23-,24-,25-,27-/m1/s1",LONSJLDZLUHCRR-LJNMJUOLSA-N,C[C@H](CCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:79239,,,,Q27148293,86289828,31150761,
WJ000297,bhas#38-CoA,C48H86N7O22P3S,"InChI=1S/C48H86N7O22P3S/c1-31(73-47-35(58)26-34(57)32(2)74-47)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-33(56)25-38(60)81-24-23-50-37(59)21-22-51-45(63)42(62)48(3,4)28-72-80(69,70)77-79(67,68)71-27-36-41(76-78(64,65)66)40(61)46(75-36)55-30-54-39-43(49)52-29-53-44(39)55/h29-36,40-42,46-47,56-58,61-62H,5-28H2,1-4H3,(H,50,59)(H,51,63)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t31-,32+,33-,34-,35-,36-,40-,41-,42+,46-,47-/m1/s1",KHCHEDULCUNUSD-RFKNJEBASA-N,C[C@H](CCCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139766,,,,,,,
WJ000298,bhas#9,C11H20O7,"InChI=1S/C11H20O7/c1-5-7(12)3-9(14)11(17-5)18-6(2)8(13)4-10(15)16/h5-9,11-14H,3-4H2,1-2H3,(H,15,16)/t5-,6+,7+,8-,9+,11-/m0/s1",NBWMDYKZESSGHF-WKWISIMFSA-N,C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)[C@@H](O)CC(O)=O,CHEBI:139768,,,,,,,
WJ000299,bhas#9-CoA,C32H54N7O22P3S,"InChI=1S/C32H54N7O22P3S/c1-15-17(40)9-19(42)31(57-15)58-16(2)18(41)10-22(44)65-8-7-34-21(43)5-6-35-29(47)26(46)32(3,4)12-56-64(53,54)61-63(51,52)55-11-20-25(60-62(48,49)50)24(45)30(59-20)39-14-38-23-27(33)36-13-37-28(23)39/h13-20,24-26,30-31,40-42,45-46H,5-12H2,1-4H3,(H,34,43)(H,35,47)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t15-,16+,17+,18-,19+,20+,24+,25+,26-,30+,31-/m0/s1",DBGIMOTZXDBYAM-MWLQJOIYSA-N,C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34,CHEBI:139770,,,,,,,
WJ000300,bhos#1,C13H24O7,"InChI=1S/C13H24O7/c1-8-10(15)7-11(16)13(20-8)19-5-3-2-4-9(14)6-12(17)18/h8-11,13-16H,2-7H2,1H3,(H,17,18)/t8-,9+,10+,11+,13+/m0/s1",PPPMARDPGRKOJY-ZZZDWPBISA-N,C[C@@H]1O[C@@H](OCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139772,,,,,,,
WJ000301,bhos#10,C15H28O7,"InChI=1S/C15H28O7/c1-10-12(17)9-13(18)15(22-10)21-7-5-3-2-4-6-11(16)8-14(19)20/h10-13,15-18H,2-9H2,1H3,(H,19,20)/t10-,11+,12+,13+,15+/m0/s1",DGLIIKDKPYKHDK-KMCWBVRRSA-N,C[C@@H]1O[C@@H](OCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79256,,,,Q27148311,86289844,31150777,
WJ000302,bhos#10-CoA,C36H62N7O22P3S,"InChI=1S/C36H62N7O22P3S/c1-20-22(45)15-23(46)35(62-20)59-12-7-5-4-6-8-21(44)14-26(48)69-13-11-38-25(47)9-10-39-33(51)30(50)36(2,3)17-61-68(57,58)65-67(55,56)60-16-24-29(64-66(52,53)54)28(49)34(63-24)43-19-42-27-31(37)40-18-41-32(27)43/h18-24,28-30,34-35,44-46,49-50H,4-17H2,1-3H3,(H,38,47)(H,39,51)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/t20-,21+,22+,23+,24+,28+,29+,30-,34+,35+/m0/s",WVYOUKSDJUHZFC-KVKWJEPMSA-N,C[C@@H]1O[C@@H](OCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139775,,,,,,,
WJ000303,bhos#12,C12H22O7,"InChI=1S/C12H22O7/c1-7-9(14)6-10(15)12(19-7)18-4-2-3-8(13)5-11(16)17/h7-10,12-15H,2-6H2,1H3,(H,16,17)/t7-,8+,9+,10+,12+/m0/s1",LGWODORTMOUWMN-PORUNHMFSA-N,C[C@@H]1O[C@@H](OCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139777,,,,,,,
WJ000304,bhos#12-CoA,C33H56N7O22P3S,"InChI=1S/C33H56N7O22P3S/c1-17-19(42)12-20(43)32(59-17)56-9-4-5-18(41)11-23(45)66-10-8-35-22(44)6-7-36-30(48)27(47)33(2,3)14-58-65(54,55)62-64(52,53)57-13-21-26(61-63(49,50)51)25(46)31(60-21)40-16-39-24-28(34)37-15-38-29(24)40/h15-21,25-27,31-32,41-43,46-47H,4-14H2,1-3H3,(H,35,44)(H,36,48)(H,52,53)(H,54,55)(H2,34,37,38)(H2,49,50,51)/t17-,18+,19+,20+,21+,25+,26+,27-,31+,32+/m0/s1",UGENGPKSXSGTSW-XTKLXGSESA-N,C[C@@H]1O[C@@H](OCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139779,,,,,,,
WJ000305,bhos#14,C14H26O7,"InChI=1S/C14H26O7/c1-9-11(16)8-12(17)14(21-9)20-6-4-2-3-5-10(15)7-13(18)19/h9-12,14-17H,2-8H2,1H3,(H,18,19)/t9-,10+,11+,12+,14+/m0/s1",DDSHMLNDDYZMTL-WRYZSIRCSA-N,C[C@@H]1O[C@@H](OCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139781,,,,,,,
WJ000306,bhos#14-CoA,C35H60N7O22P3S,"InChI=1S/C35H60N7O22P3S/c1-19-21(44)14-22(45)34(61-19)58-11-6-4-5-7-20(43)13-25(47)68-12-10-37-24(46)8-9-38-32(50)29(49)35(2,3)16-60-67(56,57)64-66(54,55)59-15-23-28(63-65(51,52)53)27(48)33(62-23)42-18-41-26-30(36)39-17-40-31(26)42/h17-23,27-29,33-34,43-45,48-49H,4-16H2,1-3H3,(H,37,46)(H,38,50)(H,54,55)(H,56,57)(H2,36,39,40)(H2,51,52,53)/t19-,20+,21+,22+,23+,27+,28+,29-,33+,34+/m0/s1",UNDOHHNRGOCTNV-RIBQYTEQSA-N,C[C@@H]1O[C@@H](OCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139783,,,,,,,
WJ000307,bhos#16,C16H30O7,"InChI=1S/C16H30O7/c1-11-13(18)10-14(19)16(23-11)22-8-6-4-2-3-5-7-12(17)9-15(20)21/h11-14,16-19H,2-10H2,1H3,(H,20,21)/t11-,12+,13+,14+,16+/m0/s1",ICHNWKCNPXYDRV-UTHRFFRBSA-N,C[C@@H]1O[C@@H](OCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79258,,,,Q27148313,86289846,31150779,
WJ000308,bhos#16-CoA,C37H64N7O22P3S,"InChI=1S/C37H64N7O22P3S/c1-21-23(46)16-24(47)36(63-21)60-13-8-6-4-5-7-9-22(45)15-27(49)70-14-12-39-26(48)10-11-40-34(52)31(51)37(2,3)18-62-69(58,59)66-68(56,57)61-17-25-30(65-67(53,54)55)29(50)35(64-25)44-20-43-28-32(38)41-19-42-33(28)44/h19-25,29-31,35-36,45-47,50-51H,4-18H2,1-3H3,(H,39,48)(H,40,52)(H,56,57)(H,58,59)(H2,38,41,42)(H2,53,54,55)/t21-,22+,23+,24+,25+,29+,30+,31-,35+,36+/m0/s",KZRCZSLTCSMCOR-ISABJCDJSA-N,C[C@@H]1O[C@@H](OCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139786,,,,,,,
WJ000309,bhos#18,C17H32O7,"InChI=1S/C17H32O7/c1-12-14(19)11-15(20)17(24-12)23-9-7-5-3-2-4-6-8-13(18)10-16(21)22/h12-15,17-20H,2-11H2,1H3,(H,21,22)/t12-,13+,14+,15+,17+/m0/s1",GGYMGUAMSXCZMJ-ZAPJKBGESA-N,C[C@@H]1O[C@@H](OCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79259,,,,Q27148314,86289847,31150780,
WJ000310,bhos#18-CoA,C38H66N7O22P3S,"InChI=1S/C38H66N7O22P3S/c1-22-24(47)17-25(48)37(64-22)61-14-9-7-5-4-6-8-10-23(46)16-28(50)71-15-13-40-27(49)11-12-41-35(53)32(52)38(2,3)19-63-70(59,60)67-69(57,58)62-18-26-31(66-68(54,55)56)30(51)36(65-26)45-21-44-29-33(39)42-20-43-34(29)45/h20-26,30-32,36-37,46-48,51-52H,4-19H2,1-3H3,(H,40,49)(H,41,53)(H,57,58)(H,59,60)(H2,39,42,43)(H2,54,55,56)/t22-,23+,24+,25+,26+,30+,31+,32-,36+,37+/m0/s1",ZHVCWYPEZHKVQZ-WFUIHTIISA-N,C[C@@H]1O[C@@H](OCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139789,,,,,,,
WJ000311,bhos#1-CoA,C34H58N7O22P3S,"InChI=1S/C34H58N7O22P3S/c1-18-20(43)13-21(44)33(60-18)57-10-5-4-6-19(42)12-24(46)67-11-9-36-23(45)7-8-37-31(49)28(48)34(2,3)15-59-66(55,56)63-65(53,54)58-14-22-27(62-64(50,51)52)26(47)32(61-22)41-17-40-25-29(35)38-16-39-30(25)41/h16-22,26-28,32-33,42-44,47-48H,4-15H2,1-3H3,(H,36,45)(H,37,49)(H,53,54)(H,55,56)(H2,35,38,39)(H2,50,51,52)/t18-,19+,20+,21+,22+,26+,27+,28-,32+,33+/m0/s1",ITWURHMOIIHFHO-ZLNILRLQSA-N,C[C@@H]1O[C@@H](OCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139791,,,,,,,
WJ000312,bhos#20,C18H34O7,"InChI=1S/C18H34O7/c1-13-15(20)12-16(21)18(25-13)24-10-8-6-4-2-3-5-7-9-14(19)11-17(22)23/h13-16,18-21H,2-12H2,1H3,(H,22,23)/t13-,14+,15+,16+,18+/m0/s1",SOTOQKINJMPSIE-CWIFOLKKSA-N,C[C@@H]1O[C@@H](OCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79260,,,,Q27148315,86289848,31150781,
WJ000313,bhos#20-CoA,C39H68N7O22P3S,"InChI=1S/C39H68N7O22P3S/c1-23-25(48)18-26(49)38(65-23)62-15-10-8-6-4-5-7-9-11-24(47)17-29(51)72-16-14-41-28(50)12-13-42-36(54)33(53)39(2,3)20-64-71(60,61)68-70(58,59)63-19-27-32(67-69(55,56)57)31(52)37(66-27)46-22-45-30-34(40)43-21-44-35(30)46/h21-27,31-33,37-38,47-49,52-53H,4-20H2,1-3H3,(H,41,50)(H,42,54)(H,58,59)(H,60,61)(H2,40,43,44)(H2,55,56,57)/t23-,24+,25+,26+,27+,31+,32+,33-,37+,38+/m0/s1",FTWDSJJYJVYKSS-NHKRLHBJSA-N,C[C@@H]1O[C@@H](OCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139794,,,,,,,
WJ000314,bhos#22,C19H36O7,"InChI=1S/C19H36O7/c1-14-16(21)13-17(22)19(26-14)25-11-9-7-5-3-2-4-6-8-10-15(20)12-18(23)24/h14-17,19-22H,2-13H2,1H3,(H,23,24)/t14-,15+,16+,17+,19+/m0/s1",XUIRIUDIZICRKQ-SEFVSHJNSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79261,,,,Q27148316,86289849,31150782,
WJ000315,bhos#22-CoA,C40H70N7O22P3S,"InChI=1S/C40H70N7O22P3S/c1-24-26(49)19-27(50)39(66-24)63-16-11-9-7-5-4-6-8-10-12-25(48)18-30(52)73-17-15-42-29(51)13-14-43-37(55)34(54)40(2,3)21-65-72(61,62)69-71(59,60)64-20-28-33(68-70(56,57)58)32(53)38(67-28)47-23-46-31-35(41)44-22-45-36(31)47/h22-28,32-34,38-39,48-50,53-54H,4-21H2,1-3H3,(H,42,51)(H,43,55)(H,59,60)(H,61,62)(H2,41,44,45)(H2,56,57,58)/t24-,25+,26+,27+,28+,32+,33+,34-,38+,39+/m0/s1",ZEXWFLNGXVGPOQ-DVNLUXLOSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139797,,,,,,,
WJ000316,bhos#24,C20H38O7,"InChI=1S/C20H38O7/c1-15-17(22)14-18(23)20(27-15)26-12-10-8-6-4-2-3-5-7-9-11-16(21)13-19(24)25/h15-18,20-23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,18+,20+/m0/s1",OEUPNEHVNNGMKN-VAVNGKDRSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79262,,,,Q27148317,86289850,31150783,
WJ000317,bhos#24-CoA,C41H72N7O22P3S,"InChI=1S/C41H72N7O22P3S/c1-25-27(50)20-28(51)40(67-25)64-17-12-10-8-6-4-5-7-9-11-13-26(49)19-31(53)74-18-16-43-30(52)14-15-44-38(56)35(55)41(2,3)22-66-73(62,63)70-72(60,61)65-21-29-34(69-71(57,58)59)33(54)39(68-29)48-24-47-32-36(42)45-23-46-37(32)48/h23-29,33-35,39-40,49-51,54-55H,4-22H2,1-3H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/t25-,26+,27+,28+,29+,33+,34+,35-,39+,40+/m0/s1",FXHNBRLYRCNMEF-BLRFJLJMSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139800,,,,,,,
WJ000318,bhos#26,C21H40O7,"InChI=1S/C21H40O7/c1-16-18(23)15-19(24)21(28-16)27-13-11-9-7-5-3-2-4-6-8-10-12-17(22)14-20(25)26/h16-19,21-24H,2-15H2,1H3,(H,25,26)/t16-,17+,18+,19+,21+/m0/s1",CQOIGQHIJMHXGX-HMPZBHLVSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79263,,,,Q27148318,86289851,31150784,
WJ000319,bhos#26-CoA,C42H74N7O22P3S,"InChI=1S/C42H74N7O22P3S/c1-26-28(51)21-29(52)41(68-26)65-18-13-11-9-7-5-4-6-8-10-12-14-27(50)20-32(54)75-19-17-44-31(53)15-16-45-39(57)36(56)42(2,3)23-67-74(63,64)71-73(61,62)66-22-30-35(70-72(58,59)60)34(55)40(69-30)49-25-48-33-37(43)46-24-47-38(33)49/h24-30,34-36,40-41,50-52,55-56H,4-23H2,1-3H3,(H,44,53)(H,45,57)(H,61,62)(H,63,64)(H2,43,46,47)(H2,58,59,60)/t26-,27+,28+,29+,30+,34+,35+,36-,40+,41+/m0/s1",HSZGYVDGKGUWHL-WFYPENTMSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139803,,,,,,,
WJ000320,bhos#28,C22H42O7,"InChI=1S/C22H42O7/c1-17-19(24)16-20(25)22(29-17)28-14-12-10-8-6-4-2-3-5-7-9-11-13-18(23)15-21(26)27/h17-20,22-25H,2-16H2,1H3,(H,26,27)/t17-,18+,19+,20+,22+/m0/s1",SNINRZCQHRQHTE-SXEONFLVSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79264,,,,Q27148319,86289852,31150785,
WJ000321,bhos#28-CoA,C43H76N7O22P3S,"InChI=1S/C43H76N7O22P3S/c1-27-29(52)22-30(53)42(69-27)66-19-14-12-10-8-6-4-5-7-9-11-13-15-28(51)21-33(55)76-20-18-45-32(54)16-17-46-40(58)37(57)43(2,3)24-68-75(64,65)72-74(62,63)67-23-31-36(71-73(59,60)61)35(56)41(70-31)50-26-49-34-38(44)47-25-48-39(34)50/h25-31,35-37,41-42,51-53,56-57H,4-24H2,1-3H3,(H,45,54)(H,46,58)(H,62,63)(H,64,65)(H2,44,47,48)(H2,59,60,61)/t27-,28+,29+,30+,31+,35+,36+,37-,41+,42+/m0/s1",NGTVXMSKJMSUCD-QRQHIKOXSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139806,,,,,,,
WJ000322,bhos#30,C23H44O7,"InChI=1S/C23H44O7/c1-18-20(25)17-21(26)23(30-18)29-15-13-11-9-7-5-3-2-4-6-8-10-12-14-19(24)16-22(27)28/h18-21,23-26H,2-17H2,1H3,(H,27,28)/t18-,19+,20+,21+,23+/m0/s1",AVROBGCULUIOHS-QBRBXANFSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79265,,,,Q27148320,86289853,31150786,
WJ000323,bhos#30-CoA,C44H78N7O22P3S,"InChI=1S/C44H78N7O22P3S/c1-28-30(53)23-31(54)43(70-28)67-20-15-13-11-9-7-5-4-6-8-10-12-14-16-29(52)22-34(56)77-21-19-46-33(55)17-18-47-41(59)38(58)44(2,3)25-69-76(65,66)73-75(63,64)68-24-32-37(72-74(60,61)62)36(57)42(71-32)51-27-50-35-39(45)48-26-49-40(35)51/h26-32,36-38,42-43,52-54,57-58H,4-25H2,1-3H3,(H,46,55)(H,47,59)(H,63,64)(H,65,66)(H2,45,48,49)(H2,60,61,62)/t28-,29+,30+,31+,32+,36+,37+,38-,42+,43+/m0/s1",BMLIWHQGDVQVOG-PYWGEPFMSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139809,,,,,,,
WJ000324,bhos#32,C24H46O7,"InChI=1S/C24H46O7/c1-19-21(26)18-22(27)24(31-19)30-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-20(25)17-23(28)29/h19-22,24-27H,2-18H2,1H3,(H,28,29)/t19-,20+,21+,22+,24+/m0/s1",PLOMOPYTWRTKLB-YWCCWUOUSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79266,,,,Q27148321,86289854,31150787,
WJ000325,bhos#32-CoA,C45H80N7O22P3S,"InChI=1S/C45H80N7O22P3S/c1-29-31(54)24-32(55)44(71-29)68-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-30(53)23-35(57)78-22-20-47-34(56)18-19-48-42(60)39(59)45(2,3)26-70-77(66,67)74-76(64,65)69-25-33-38(73-75(61,62)63)37(58)43(72-33)52-28-51-36-40(46)49-27-50-41(36)52/h27-33,37-39,43-44,53-55,58-59H,4-26H2,1-3H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/t29-,30+,31+,32+,33+,37+,38+,39-,43+,44+/m0/s1",RTBDUTFKVDLDQR-ABZUVBNSSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139812,,,,,,,
WJ000326,bhos#34,C25H48O7,"InChI=1S/C25H48O7/c1-20-22(27)19-23(28)25(32-20)31-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-21(26)18-24(29)30/h20-23,25-28H,2-19H2,1H3,(H,29,30)/t20-,21+,22+,23+,25+/m0/s1",HRSIKXSIYLWWRZ-BKXWLNCVSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79267,,,,Q27148322,86289855,31150788,
WJ000327,bhos#34-CoA,C46H82N7O22P3S,"InChI=1S/C46H82N7O22P3S/c1-30-32(55)25-33(56)45(72-30)69-22-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-31(54)24-36(58)79-23-21-48-35(57)19-20-49-43(61)40(60)46(2,3)27-71-78(67,68)75-77(65,66)70-26-34-39(74-76(62,63)64)38(59)44(73-34)53-29-52-37-41(47)50-28-51-42(37)53/h28-34,38-40,44-45,54-56,59-60H,4-27H2,1-3H3,(H,48,57)(H,49,61)(H,65,66)(H,67,68)(H2,47,50,51)(H2,62,63,64)/t30-,31+,32+,33+,34+,38+,39+,40-,44+,45+/m0/s1",ICFZJLGVPACMHD-BTTQSKRZSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139815,,,,,,,
WJ000328,bhos#36,C26H50O7,"InChI=1S/C26H50O7/c1-21-23(28)20-24(29)26(33-21)32-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22(27)19-25(30)31/h21-24,26-29H,2-20H2,1H3,(H,30,31)/t21-,22+,23+,24+,26+/m0/s1",GQQORDYSENBKGT-VIMOMQNVSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79268,,,,Q27148323,86289856,31150789,
WJ000329,bhos#36-CoA,C47H84N7O22P3S,"InChI=1S/C47H84N7O22P3S/c1-31-33(56)26-34(57)46(73-31)70-23-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-32(55)25-37(59)80-24-22-49-36(58)20-21-50-44(62)41(61)47(2,3)28-72-79(68,69)76-78(66,67)71-27-35-40(75-77(63,64)65)39(60)45(74-35)54-30-53-38-42(48)51-29-52-43(38)54/h29-35,39-41,45-46,55-57,60-61H,4-28H2,1-3H3,(H,49,58)(H,50,62)(H,66,67)(H,68,69)(H2,48,51,52)(H2,63,64,65)/t31-,32+,33+,34+,35+,39+,40+,41-,45+,46+/m0/s",XAVBTEZEYXIWDP-STJTYPLJSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139818,,,,,,,
WJ000330,bhos#38,C27H52O7,"InChI=1S/C27H52O7/c1-22-24(29)21-25(30)27(34-22)33-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-23(28)20-26(31)32/h22-25,27-30H,2-21H2,1H3,(H,31,32)/t22-,23+,24+,25+,27+/m0/s1",YWCSAWTVTUALQW-JTCWXIJDSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79269,,,,Q27148325,86289857,31150790,
WJ000331,bhos#38-CoA,C48H86N7O22P3S,"InChI=1S/C48H86N7O22P3S/c1-32-34(57)27-35(58)47(74-32)71-24-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-33(56)26-38(60)81-25-23-50-37(59)21-22-51-45(63)42(62)48(2,3)29-73-80(69,70)77-79(67,68)72-28-36-41(76-78(64,65)66)40(61)46(75-36)55-31-54-39-43(49)52-30-53-44(39)55/h30-36,40-42,46-47,56-58,61-62H,4-29H2,1-3H3,(H,50,59)(H,51,63)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t32-,33+,34+,35+,36+,40+,41+,42-,46+,47+/m0/s1",KCXFBMBOIZUQTN-AIZSDTMFSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139821,,,,,,,
WJ000332,bhos#9,C11H20O7,"InChI=1S/C11H20O7/c1-6-8(13)5-9(14)11(18-6)17-3-2-7(12)4-10(15)16/h6-9,11-14H,2-5H2,1H3,(H,15,16)/t6-,7+,8+,9+,11+/m0/s1",IXUHVZDKEBBSDJ-UFFKNHFXSA-N,C[C@@H]1O[C@@H](OCC[C@@H](O)CC(O)=O)[C@H](O)C[C@H]1O,,,,,,,,
WJ000333,bhos#9-CoA,C32H54N7O22P3S,"InChI=1S/C32H54N7O22P3S/c1-16-18(41)11-19(42)31(58-16)55-8-5-17(40)10-22(44)65-9-7-34-21(43)4-6-35-29(47)26(46)32(2,3)13-57-64(53,54)61-63(51,52)56-12-20-25(60-62(48,49)50)24(45)30(59-20)39-15-38-23-27(33)36-14-37-28(23)39/h14-20,24-26,30-31,40-42,45-46H,4-13H2,1-3H3,(H,34,43)(H,35,47)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t16-,17+,18+,19+,20+,24+,25+,26-,30+,31+/m0/s1",TWKBKZFHWVXQLR-FLBLPZDGSA-N,C[C@@H]1O[C@@H](OCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139825,,,,,,,
WJ000334,bis(beta-glucosyluronic acid)bilirubin,C45H52N4O18,"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)/b26-13+,27-14+/t32-,33-,34-,35-,36+,37+,38-,39-,44+,45+/m0/s1",SCJLWMXOOYZBTH-SDXZDYKGSA-N,CC1=C(C=C)\C(NC1=O)=C/C1=C(C)C(CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C(CC2=C(CCC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(C)=C(N2)\C=C2\NC(=O)C(C=C)=C2C)N1,,,,,,,,
WJ000335,bilirubin,C33H36N4O6,"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)/b26-13-,27-14-",BPYKTIZUTYGOLE-IFADSCNNSA-N,CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1,CHEBI:72719;CHEBI:16990,C00486,HMDB00054;HMDB0000054,,Q104219,21252250;5280352,4444055;13628097,DTXSID90239827
WJ000336,bkas#1,C13H22O7,"InChI=1S/C13H22O7/c1-7(3-4-9(14)5-12(17)18)19-13-11(16)6-10(15)8(2)20-13/h7-8,10-11,13,15-16H,3-6H2,1-2H3,(H,17,18)/t7-,8+,10-,11-,13-/m1/s1",SUJXPSLMLQAVSH-FXQRJEMGSA-N,C[C@H](CCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139827,,,,,,,
WJ000337,bkas#10,C15H26O7,"InChI=1S/C15H26O7/c1-9(5-3-4-6-11(16)7-14(19)20)21-15-13(18)8-12(17)10(2)22-15/h9-10,12-13,15,17-18H,3-8H2,1-2H3,(H,19,20)/t9-,10+,12-,13-,15-/m1/s1",OTXHLDGCTPIDNN-PFZXPDKNSA-N,C[C@H](CCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139829,,,,,,,
WJ000338,bkas#10-CoA,C36H60N7O22P3S,"InChI=1S/C36H60N7O22P3S/c1-19(61-35-23(46)14-22(45)20(2)62-35)7-5-6-8-21(44)13-26(48)69-12-11-38-25(47)9-10-39-33(51)30(50)36(3,4)16-60-68(57,58)65-67(55,56)59-15-24-29(64-66(52,53)54)28(49)34(63-24)43-18-42-27-31(37)40-17-41-32(27)43/h17-20,22-24,28-30,34-35,45-46,49-50H,5-16H2,1-4H3,(H,38,47)(H,39,51)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/t19-,20+,22-,23-,24-,28-,29-,30+,34-,35-/m1/s1",DHQBQECJOOZVTJ-KPPZHRRPSA-N,C[C@H](CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139831,,,,,,,
WJ000339,bkas#12,C12H20O7,"InChI=1S/C12H20O7/c1-6(3-8(13)4-11(16)17)18-12-10(15)5-9(14)7(2)19-12/h6-7,9-10,12,14-15H,3-5H2,1-2H3,(H,16,17)/t6-,7+,9-,10-,12-/m1/s1",WOLLVTGRGSGBEL-WBAPNQQASA-N,C[C@H](CC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139833,,,,,,,
WJ000340,bkas#12-CoA,C33H54N7O22P3S,"InChI=1S/C33H54N7O22P3S/c1-16(58-32-20(43)11-19(42)17(2)59-32)9-18(41)10-23(45)66-8-7-35-22(44)5-6-36-30(48)27(47)33(3,4)13-57-65(54,55)62-64(52,53)56-12-21-26(61-63(49,50)51)25(46)31(60-21)40-15-39-24-28(34)37-14-38-29(24)40/h14-17,19-21,25-27,31-32,42-43,46-47H,5-13H2,1-4H3,(H,35,44)(H,36,48)(H,52,53)(H,54,55)(H2,34,37,38)(H2,49,50,51)/t16-,17+,19-,20-,21-,25-,26-,27+,31-,32-/m1/s",SOIDBLBUCQIJLL-AUNNCQRVSA-N,C[C@H](CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139835,,,,,,,
WJ000341,bkas#14,C14H24O7,"InChI=1S/C14H24O7/c1-8(4-3-5-10(15)6-13(18)19)20-14-12(17)7-11(16)9(2)21-14/h8-9,11-12,14,16-17H,3-7H2,1-2H3,(H,18,19)/t8-,9+,11-,12-,14-/m1/s1",CIBOJXXSVUMMMT-FSEFYBDASA-N,C[C@H](CCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139837,,,,,,,
WJ000342,bkas#14-CoA,C35H58N7O22P3S,"InChI=1S/C35H58N7O22P3S/c1-18(60-34-22(45)13-21(44)19(2)61-34)6-5-7-20(43)12-25(47)68-11-10-37-24(46)8-9-38-32(50)29(49)35(3,4)15-59-67(56,57)64-66(54,55)58-14-23-28(63-65(51,52)53)27(48)33(62-23)42-17-41-26-30(36)39-16-40-31(26)42/h16-19,21-23,27-29,33-34,44-45,48-49H,5-15H2,1-4H3,(H,37,46)(H,38,50)(H,54,55)(H,56,57)(H2,36,39,40)(H2,51,52,53)/t18-,19+,21-,22-,23-,27-,28-,29+,33-,34-/m1/s1",GHYLTHAPGVQFBU-JYVUXFISSA-N,C[C@H](CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139839,,,,,,,
WJ000343,bkas#16,C16H28O7,"InChI=1S/C16H28O7/c1-10(6-4-3-5-7-12(17)8-15(20)21)22-16-14(19)9-13(18)11(2)23-16/h10-11,13-14,16,18-19H,3-9H2,1-2H3,(H,20,21)/t10-,11+,13-,14-,16-/m1/s1",KLCHBSZWWKJIFZ-DVAKLYJDSA-N,C[C@H](CCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139841,,,,,,,
WJ000344,bkas#16-CoA,C37H62N7O22P3S,"InChI=1S/C37H62N7O22P3S/c1-20(62-36-24(47)15-23(46)21(2)63-36)8-6-5-7-9-22(45)14-27(49)70-13-12-39-26(48)10-11-40-34(52)31(51)37(3,4)17-61-69(58,59)66-68(56,57)60-16-25-30(65-67(53,54)55)29(50)35(64-25)44-19-43-28-32(38)41-18-42-33(28)44/h18-21,23-25,29-31,35-36,46-47,50-51H,5-17H2,1-4H3,(H,39,48)(H,40,52)(H,56,",HTLWASUKQCZOKR-NWYLSFCUSA-N,C[C@H](CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139843,,,,,,,
WJ000345,bkas#18,C17H30O7,"InChI=1S/C17H30O7/c1-11(23-17-15(20)10-14(19)12(2)24-17)7-5-3-4-6-8-13(18)9-16(21)22/h11-12,14-15,17,19-20H,3-10H2,1-2H3,(H,21,22)/t11-,12+,14-,15-,17-/m1/s1",QPKLZPWSLJHGNI-CSDUCGJJSA-N,C[C@H](CCCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139845,,,,,,,
WJ000346,bkas#18-CoA,C38H64N7O22P3S,"InChI=1S/C38H64N7O22P3S/c1-21(63-37-25(48)16-24(47)22(2)64-37)9-7-5-6-8-10-23(46)15-28(50)71-14-13-40-27(49)11-12-41-35(53)32(52)38(3,4)18-62-70(59,60)67-69(57,58)61-17-26-31(66-68(54,55)56)30(51)36(65-26)45-20-44-29-33(39)42-19-43-34(29)45/h19-22,24-26,30-32,36-37,47-48,51-52H,5-18H2,1-4H3,(H,40,49)(H,41,53)(H,57,58)(H,59,60)(H2,39,42,43)(H2,54,55,56)/t21-,22+,24-,25-,26-,30-,31-,32+,36-,37-/m1/s1",TUXSJBCZTAYNOM-SCEUTBFNSA-N,C[C@H](CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139847,,,,,,,
WJ000347,bkas#1-CoA,C34H56N7O22P3S,"InChI=1S/C34H56N7O22P3S/c1-17(59-33-21(44)12-20(43)18(2)60-33)5-6-19(42)11-24(46)67-10-9-36-23(45)7-8-37-31(49)28(48)34(3,4)14-58-66(55,56)63-65(53,54)57-13-22-27(62-64(50,51)52)26(47)32(61-22)41-16-40-25-29(35)38-15-39-30(25)41/h15-18,20-22,26-28,32-33,43-44,47-48H,5-14H2,1-4H3,(H,36,45)(H,37,49)(H,53,54)(H,55,56)(H2,35,38,39)(H2,50,51,52)/t17-,18+,20-,21-,22-,26-,27-,28+,32-,33-/m1/s1",LVHFDVAPUCDDHA-USQYBSOGSA-N,C[C@H](CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139849,,,,,,,
WJ000348,bkas#20,C18H32O7,"InChI=1S/C18H32O7/c1-12(24-18-16(21)11-15(20)13(2)25-18)8-6-4-3-5-7-9-14(19)10-17(22)23/h12-13,15-16,18,20-21H,3-11H2,1-2H3,(H,22,23)/t12-,13+,15-,16-,18-/m1/s1",IRSPDSMWRKYLPC-HYUSYPKPSA-N,C[C@H](CCCCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139851,,,,,,,
WJ000349,bkas#20-CoA,C39H66N7O22P3S,"InChI=1S/C39H66N7O22P3S/c1-22(64-38-26(49)17-25(48)23(2)65-38)10-8-6-5-7-9-11-24(47)16-29(51)72-15-14-41-28(50)12-13-42-36(54)33(53)39(3,4)19-63-71(60,61)68-70(58,59)62-18-27-32(67-69(55,56)57)31(52)37(66-27)46-21-45-30-34(40)43-20-44-35(30)46/h20-23,25-27,31-33,37-38,48-49,52-53H,5-19H2,1-4H3,(H,41,50)(H,42,54)(H,58,59)(H,60,61)(H2,40,43,44)(H2,55,56,57)/t22-,23+,25-,26-,27-,31-,32-,33+,37-,38-/m1/s",UMVRERCZHYRKNO-IJOGGILESA-N,C[C@H](CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139853,,,,,,,
WJ000350,bkas#22,C19H34O7,"InChI=1S/C19H34O7/c1-13(25-19-17(22)12-16(21)14(2)26-19)9-7-5-3-4-6-8-10-15(20)11-18(23)24/h13-14,16-17,19,21-22H,3-12H2,1-2H3,(H,23,24)/t13-,14+,16-,17-,19-/m1/s1",YOLPWJUPZXRYNQ-UGEIDEBPSA-N,C[C@H](CCCCCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139855,,,,,,,
WJ000351,bkas#22-CoA,C40H68N7O22P3S,"InChI=1S/C40H68N7O22P3S/c1-23(65-39-27(50)18-26(49)24(2)66-39)11-9-7-5-6-8-10-12-25(48)17-30(52)73-16-15-42-29(51)13-14-43-37(55)34(54)40(3,4)20-64-72(61,62)69-71(59,60)63-19-28-33(68-70(56,57)58)32(53)38(67-28)47-22-46-31-35(41)44-21-45-36(31)47/h21-24,26-28,32-34,38-39,49-50,53-54H,5-20H2,1-4H3,(H,42,51)(H,43,55)(H,59,60)(H,61,62)(H2,41,44,45)(H2,56,57,58)/t23-,24+,26-,27-,28-,32-,33-,34+,38-,39-/m1/s",ZNWSXQAEJJQUJM-SSFUEFIKSA-N,C[C@H](CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139858,,,,,,,
WJ000352,bkas#24,C20H36O7,"InChI=1S/C20H36O7/c1-14(26-20-18(23)13-17(22)15(2)27-20)10-8-6-4-3-5-7-9-11-16(21)12-19(24)25/h14-15,17-18,20,22-23H,3-13H2,1-2H3,(H,24,25)/t14-,15+,17-,18-,20-/m1/s1",ADCGSPXIVLKMAL-XXECKMAJSA-N,C[C@H](CCCCCCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139860,,,,,,,
WJ000353,bkas#24-CoA,C41H70N7O22P3S,"InChI=1S/C41H70N7O22P3S/c1-24(66-40-28(51)19-27(50)25(2)67-40)12-10-8-6-5-7-9-11-13-26(49)18-31(53)74-17-16-43-30(52)14-15-44-38(56)35(55)41(3,4)21-65-73(62,63)70-72(60,61)64-20-29-34(69-71(57,58)59)33(54)39(68-29)48-23-47-32-36(42)45-22-46-37(32)48/h22-25,27-29,33-35,39-40,50-51,54-55H,5-21H2,1-4H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/t24-,25+,27-,28-,29-,33-,34-,35+,39-,40-/m1/s",KAEHZKXUEDFDPU-MSRNHSFWSA-N,C[C@H](CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139862,,,,,,,
WJ000354,bkas#26,C21H38O7,"InChI=1S/C21H38O7/c1-15(27-21-19(24)14-18(23)16(2)28-21)11-9-7-5-3-4-6-8-10-12-17(22)13-20(25)26/h15-16,18-19,21,23-24H,3-14H2,1-2H3,(H,25,26)/t15-,16+,18-,19-,21-/m1/s1",MQUSJLFIKPWUQJ-BKRRIZPZSA-N,C[C@H](CCCCCCCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139864,,,,,,,
WJ000355,bkas#26-CoA,C42H72N7O22P3S,"InChI=1S/C42H72N7O22P3S/c1-25(67-41-29(52)20-28(51)26(2)68-41)13-11-9-7-5-6-8-10-12-14-27(50)19-32(54)75-18-17-44-31(53)15-16-45-39(57)36(56)42(3,4)22-66-74(63,64)71-73(61,62)65-21-30-35(70-72(58,59)60)34(55)40(69-30)49-24-48-33-37(43)46-23-47-38(33)49/h23-26,28-30,34-36,40-41,51-52,55-56H,5-22H2,1-4H3,(H,44,53)(H,45,57)(H,61,62)(H,63,64)(H2,43,46,47)(H2,58,59,60)/t25-,26+,28-,29-,30-,34-,35-,36+,40-,41-/m1/s1",KYBVXOLPOWVXON-OBNMEJALSA-N,C[C@H](CCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139866,,,,,,,
WJ000356,bkas#28,C22H40O7,"InChI=1S/C22H40O7/c1-16(28-22-20(25)15-19(24)17(2)29-22)12-10-8-6-4-3-5-7-9-11-13-18(23)14-21(26)27/h16-17,19-20,22,24-25H,3-15H2,1-2H3,(H,26,27)/t16-,17+,19-,20-,22-/m1/s1",RYEGSQBSXWUUPK-HTJFHPCASA-N,C[C@H](CCCCCCCCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139868,,,,,,,
WJ000357,bkas#28-CoA,C43H74N7O22P3S,"InChI=1S/C43H74N7O22P3S/c1-26(68-42-30(53)21-29(52)27(2)69-42)14-12-10-8-6-5-7-9-11-13-15-28(51)20-33(55)76-19-18-45-32(54)16-17-46-40(58)37(57)43(3,4)23-67-75(64,65)72-74(62,63)66-22-31-36(71-73(59,60)61)35(56)41(70-31)50-25-49-34-38(44)47-24-48-39(34)50/h24-27,29-31,35-37,41-42,52-53,56-57H,5-23H2,1-4H3,(H,45,54)(H,46,58)(H,62,63)(H,64,65)(H2,44,47,48)(H2,59,60,61)/t26-,27+,29-,30-,31-,35-,36-,37+,41-,42-/m1/s1",QFWBASFTHJWYGC-CYQGFKKRSA-N,C[C@H](CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139870,,,,,,,
WJ000358,bkas#30,C23H42O7,"InChI=1S/C23H42O7/c1-17(29-23-21(26)16-20(25)18(2)30-23)13-11-9-7-5-3-4-6-8-10-12-14-19(24)15-22(27)28/h17-18,20-21,23,25-26H,3-16H2,1-2H3,(H,27,28)/t17-,18+,20-,21-,23-/m1/s1",OOUQCPKBYBBXMY-XPKGIBFMSA-N,C[C@H](CCCCCCCCCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139872,,,,,,,
WJ000359,bkas#30-CoA,C44H76N7O22P3S,"InChI=1S/C44H76N7O22P3S/c1-27(69-43-31(54)22-30(53)28(2)70-43)15-13-11-9-7-5-6-8-10-12-14-16-29(52)21-34(56)77-20-19-46-33(55)17-18-47-41(59)38(58)44(3,4)24-68-76(65,66)73-75(63,64)67-23-32-37(72-74(60,61)62)36(57)42(71-32)51-26-50-35-39(45)48-25-49-40(35)51/h25-28,30-32,36-38,42-43,53-54,57-58H,5-24H2,1-4H3,(H,46,55)(H,47,59)(H,63,64)(H,65,66)(H2,45,48,49)(H2,60,61,62)/t27-,28+,30-,31-,32-,36-,37-,38+,42-,43-/m1/s",IJKXTUNOMVFDCE-YWQCAHSSSA-N,C[C@H](CCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139874,,,,,,,
WJ000360,bkas#32,C24H44O7,"InChI=1S/C24H44O7/c1-18(30-24-22(27)17-21(26)19(2)31-24)14-12-10-8-6-4-3-5-7-9-11-13-15-20(25)16-23(28)29/h18-19,21-22,24,26-27H,3-17H2,1-2H3,(H,28,29)/t18-,19+,21-,22-,24-/m1/s1",GFVALBCHWUVIRD-MMUOCADFSA-N,C[C@H](CCCCCCCCCCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139876,,,,,,,
WJ000361,bkas#32-CoA,C45H78N7O22P3S,"InChI=1S/C45H78N7O22P3S/c1-28(70-44-32(55)23-31(54)29(2)71-44)16-14-12-10-8-6-5-7-9-11-13-15-17-30(53)22-35(57)78-21-20-47-34(56)18-19-48-42(60)39(59)45(3,4)25-69-77(66,67)74-76(64,65)68-24-33-38(73-75(61,62)63)37(58)43(72-33)52-27-51-36-40(46)49-26-50-41(36)52/h26-29,31-33,37-39,43-44,54-55,58-59H,5-25H2,1-4H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/t28-,29+,31-,32-,33-,37-,38-,39+,43-,44-/m1/s1",FNQYKJBDADQDOW-SJKUMDECSA-N,C[C@H](CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139878,,,,,,,
WJ000362,bkas#34,C25H46O7,"InChI=1S/C25H46O7/c1-19(31-25-23(28)18-22(27)20(2)32-25)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(26)17-24(29)30/h19-20,22-23,25,27-28H,3-18H2,1-2H3,(H,29,30)/t19-,20+,22-,23-,25-/m1/s1",WUFAAKWTJAFYDQ-ZJSDICRLSA-N,C[C@H](CCCCCCCCCCCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139880,,,,,,,
WJ000363,bkas#34-CoA,C46H80N7O22P3S,"InChI=1S/C46H80N7O22P3S/c1-29(71-45-33(56)24-32(55)30(2)72-45)17-15-13-11-9-7-5-6-8-10-12-14-16-18-31(54)23-36(58)79-22-21-48-35(57)19-20-49-43(61)40(60)46(3,4)26-70-78(67,68)75-77(65,66)69-25-34-39(74-76(62,63)64)38(59)44(73-34)53-28-52-37-41(47)50-27-51-42(37)53/h27-30,32-34,38-40,44-45,55-56,59-60H,5-26H2,1-4H3,(H,48,57)(H,49,61)(H,65,66)(H,67,68)(H2,47,50,51)(H2,62,63,64)/t29-,30+,32-,33-,34-,38-,39-,40+,44-,45-/m1/s1",UKYLPFINYTZZCN-HYMMUCJFSA-N,C[C@H](CCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139882,,,,,,,
WJ000364,bkas#36,C26H48O7,"InChI=1S/C26H48O7/c1-20(32-26-24(29)19-23(28)21(2)33-26)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22(27)18-25(30)31/h20-21,23-24,26,28-29H,3-19H2,1-2H3,(H,30,31)/t20-,21+,23-,24-,26-/m1/s1",PLCLTIPDLZLRTE-RNSHZHDHSA-N,C[C@H](CCCCCCCCCCCCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139884,,,,,,,
WJ000365,bkas#36-CoA,C47H82N7O22P3S,"InChI=1S/C47H82N7O22P3S/c1-30(72-46-34(57)25-33(56)31(2)73-46)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-32(55)24-37(59)80-23-22-49-36(58)20-21-50-44(62)41(61)47(3,4)27-71-79(68,69)76-78(66,67)70-26-35-40(75-77(63,64)65)39(60)45(74-35)54-29-53-38-42(48)51-28-52-43(38)54/h28-31,33-35,39-41,45-46,56-57,60-61H,5-27H2,1-4H3,(H,49,58)(H,50,62)(H,66,67)(H,68,69)(H2,48,51,52)(H2,63,64,65)/t30-,31+,33-,34-,35-,39-,40-,41+,45-,46-/m1/s1",JJUTWCDFHADBPH-CQLIVUGMSA-N,C[C@H](CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139886,,,,,,,
WJ000366,bkas#38,C27H50O7,"InChI=1S/C27H50O7/c1-21(33-27-25(30)20-24(29)22(2)34-27)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(28)19-26(31)32/h21-22,24-25,27,29-30H,3-20H2,1-2H3,(H,31,32)/t21-,22+,24-,25-,27-/m1/s1",NJKRNAJKXVWNFU-OPYPCFFTSA-N,C[C@H](CCCCCCCCCCCCCCCCC(=O)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O,CHEBI:139888,,,,,,,
WJ000367,bkas#38-CoA,C48H84N7O22P3S,"InChI=1S/C48H84N7O22P3S/c1-31(73-47-35(58)26-34(57)32(2)74-47)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-33(56)25-38(60)81-24-23-50-37(59)21-22-51-45(63)42(62)48(3,4)28-72-80(69,70)77-79(67,68)71-27-36-41(76-78(64,65)66)40(61)46(75-36)55-30-54-39-43(49)52-29-53-44(39)55/h29-32,34-36,40-42,46-47,57-58,61-62H,5-28H2,1-4H3,(H,50,59)(H,51,63)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t31-,32+,34-,35-,36-,40-,41-,42+,46-,47-/m1/s1",QUCOELVSMKTXLR-XQZQJGDVSA-N,C[C@H](CCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O,CHEBI:139890,,,,,,,
WJ000368,bkas#9,C11H18O7,"InChI=1S/C11H18O7/c1-5-7(12)3-9(14)11(17-5)18-6(2)8(13)4-10(15)16/h5-7,9,11-12,14H,3-4H2,1-2H3,(H,15,16)/t5-,6+,7+,9+,11-/m0/s1",IVDIZIGRLYEYMK-IREMQWHZSA-N,C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC(O)=O,CHEBI:139892,,,,,,,
WJ000369,bkas#9-CoA,C32H52N7O22P3S,"InChI=1S/C32H52N7O22P3S/c1-15-17(40)9-19(42)31(57-15)58-16(2)18(41)10-22(44)65-8-7-34-21(43)5-6-35-29(47)26(46)32(3,4)12-56-64(53,54)61-63(51,52)55-11-20-25(60-62(48,49)50)24(45)30(59-20)39-14-38-23-27(33)36-13-37-28(23)39/h13-17,19-20,24-26,30-31,40,42,45-46H,5-12H2,1-4H3,(H,34,43)(H,35,47)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t15-,16+,17+,19+,20+,24+,25+,26-,30+,31-/m0/s1",CVWKWHBDRBFTQA-VRBBHYMUSA-N,C[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34,CHEBI:139894,,,,,,,
WJ000370,bkos#1,C13H22O7,"InChI=1S/C13H22O7/c1-8-10(15)7-11(16)13(20-8)19-5-3-2-4-9(14)6-12(17)18/h8,10-11,13,15-16H,2-7H2,1H3,(H,17,18)/t8-,10+,11+,13+/m0/s1",WYDXDFMJTTYATA-BQKRADJCSA-N,C[C@@H]1O[C@@H](OCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139896,,,,,,,
WJ000371,bkos#10,C15H26O7,"InChI=1S/C15H26O7/c1-10-12(17)9-13(18)15(22-10)21-7-5-3-2-4-6-11(16)8-14(19)20/h10,12-13,15,17-18H,2-9H2,1H3,(H,19,20)/t10-,12+,13+,15+/m0/s1",XTGCOILJPOGNOY-XTWPYSKKSA-N,C[C@@H]1O[C@@H](OCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139898,,,,,,,
WJ000372,bkos#10-CoA,C36H60N7O22P3S,"InChI=1S/C36H60N7O22P3S/c1-20-22(45)15-23(46)35(62-20)59-12-7-5-4-6-8-21(44)14-26(48)69-13-11-38-25(47)9-10-39-33(51)30(50)36(2,3)17-61-68(57,58)65-67(55,56)60-16-24-29(64-66(52,53)54)28(49)34(63-24)43-19-42-27-31(37)40-18-41-32(27)43/h18-20,22-24,28-30,34-35,45-46,49-50H,4-17H2,1-3H3,(H,38,47)(H,39,51)(H,55,56)(H,57,58)(H2,37,40,41)(H2,52,53,54)/t20-,22+,23+,24+,28+,29+,30-,34+,35+/m0/s1",XYYTYCVYIGZVHC-QNDIWHFOSA-N,C[C@@H]1O[C@@H](OCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139900,,,,,,,
WJ000373,bkos#12,C12H20O7,"InChI=1S/C12H20O7/c1-7-9(14)6-10(15)12(19-7)18-4-2-3-8(13)5-11(16)17/h7,9-10,12,14-15H,2-6H2,1H3,(H,16,17)/t7-,9+,10+,12+/m0/s1",MKWGPNVDPNHKIX-CKIYVRPFSA-N,C[C@@H]1O[C@@H](OCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139902,,,,,,,
WJ000374,bkos#12-CoA,C33H54N7O22P3S,"InChI=1S/C33H54N7O22P3S/c1-17-19(42)12-20(43)32(59-17)56-9-4-5-18(41)11-23(45)66-10-8-35-22(44)6-7-36-30(48)27(47)33(2,3)14-58-65(54,55)62-64(52,53)57-13-21-26(61-63(49,50)51)25(46)31(60-21)40-16-39-24-28(34)37-15-38-29(24)40/h15-17,19-21,25-27,31-32,42-43,46-47H,4-14H2,1-3H3,(H,35,44)(H,36,48)(H,52,53)(H,54,55)(H2,34,37,38)(H2,49,50,51)/t17-,19+,20+,21+,25+,26+,27-,31+,32+/m0/s1",XEXFZJDKGHLWIB-PWGBCQQASA-N,C[C@@H]1O[C@@H](OCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139904,,,,,,,
WJ000375,bkos#14,C14H24O7,"InChI=1S/C14H24O7/c1-9-11(16)8-12(17)14(21-9)20-6-4-2-3-5-10(15)7-13(18)19/h9,11-12,14,16-17H,2-8H2,1H3,(H,18,19)/t9-,11+,12+,14+/m0/s1",HLAXQXHJWGJUFT-LEJCRSTHSA-N,C[C@@H]1O[C@@H](OCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139906,,,,,,,
WJ000376,bkos#14-CoA,C35H58N7O22P3S,"InChI=1S/C35H58N7O22P3S/c1-19-21(44)14-22(45)34(61-19)58-11-6-4-5-7-20(43)13-25(47)68-12-10-37-24(46)8-9-38-32(50)29(49)35(2,3)16-60-67(56,57)64-66(54,55)59-15-23-28(63-65(51,52)53)27(48)33(62-23)42-18-41-26-30(36)39-17-40-31(26)42/h17-19,21-23,27-29,33-34,44-45,48-49H,4-16H2,1-3H3,(H,37,46)(H,38,50)(H,54,55)(H,56,57)(H2,36,39,40)(H2,51,52,53)/t19-,21+,22+,23+,27+,28+,29-,33+,34+/m0/s1",YTQUEXXGYCWVEC-DMONYOBISA-N,C[C@@H]1O[C@@H](OCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139908,,,,,,,
WJ000377,bkos#16,C16H28O7,"InChI=1S/C16H28O7/c1-11-13(18)10-14(19)16(23-11)22-8-6-4-2-3-5-7-12(17)9-15(20)21/h11,13-14,16,18-19H,2-10H2,1H3,(H,20,21)/t11-,13+,14+,16+/m0/s1",YWCJWMBWXGNJHN-ADSMDIBLSA-N,C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139910,,,,,,,
WJ000378,bkos#16-CoA,C37H62N7O22P3S,"InChI=1S/C37H62N7O22P3S/c1-21-23(46)16-24(47)36(63-21)60-13-8-6-4-5-7-9-22(45)15-27(49)70-14-12-39-26(48)10-11-40-34(52)31(51)37(2,3)18-62-69(58,59)66-68(56,57)61-17-25-30(65-67(53,54)55)29(50)35(64-25)44-20-43-28-32(38)41-19-42-33(28)44/h19-21,23-25,29-31,35-36,46-47,50-51H,4-18H2,1-3H3,(H,39,48)(H,40,52)(H,56,57)(H,58,59)(H2,38,41,42)(H2,53,54,55)/t21-,23+,24+,25+,29+,30+,31-,35+,36+/m0/s1",UEMLVZQNYBLKOV-HTVSJTJUSA-N,C[C@@H]1O[C@@H](OCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139912,,,,,,,
WJ000379,bkos#18,C17H30O7,"InChI=1S/C17H30O7/c1-12-14(19)11-15(20)17(24-12)23-9-7-5-3-2-4-6-8-13(18)10-16(21)22/h12,14-15,17,19-20H,2-11H2,1H3,(H,21,22)/t12-,14+,15+,17+/m0/s1",HRHVGAZDZGAQDB-DPAVQSFQSA-N,C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139914,,,,,,,
WJ000380,bkos#18-CoA,C38H64N7O22P3S,"InChI=1S/C38H64N7O22P3S/c1-22-24(47)17-25(48)37(64-22)61-14-9-7-5-4-6-8-10-23(46)16-28(50)71-15-13-40-27(49)11-12-41-35(53)32(52)38(2,3)19-63-70(59,60)67-69(57,58)62-18-26-31(66-68(54,55)56)30(51)36(65-26)45-21-44-29-33(39)42-20-43-34(29)45/h20-22,24-26,30-32,36-37,47-48,51-52H,4-19H2,1-3H3,(H,40,49)(H,41,53)(H,57,58)(H,59,60)(H2,39,42,43)(H2,54,55,56)/t22-,24+,25+,26+,30+,31+,32-,36+,37+/m0/s",TVTNLEOCUBDOPO-GOCJXLSSSA-N,C[C@@H]1O[C@@H](OCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139916,,,,,,,
WJ000381,bkos#1-CoA,C34H56N7O22P3S,"InChI=1S/C34H56N7O22P3S/c1-18-20(43)13-21(44)33(60-18)57-10-5-4-6-19(42)12-24(46)67-11-9-36-23(45)7-8-37-31(49)28(48)34(2,3)15-59-66(55,56)63-65(53,54)58-14-22-27(62-64(50,51)52)26(47)32(61-22)41-17-40-25-29(35)38-16-39-30(25)41/h16-18,20-22,26-28,32-33,43-44,47-48H,4-15H2,1-3H3,(H,36,45)(H,37,49)(H,53,54)(H,55,56)(H2,35,38,39)(H2,50,51,52)/t18-,20+,21+,22+,26+,27+,28-,32+,33+/m0/s1",QBVUPCXIUKCLFI-SMBRNFTKSA-N,C[C@@H]1O[C@@H](OCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139918,,,,,,,
WJ000382,bkos#20,C18H32O7,"InChI=1S/C18H32O7/c1-13-15(20)12-16(21)18(25-13)24-10-8-6-4-2-3-5-7-9-14(19)11-17(22)23/h13,15-16,18,20-21H,2-12H2,1H3,(H,22,23)/t13-,15+,16+,18+/m0/s1",WGVYYBXTSRMWHN-AAJLLMFJSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139920,,,,,,,
WJ000383,bkos#20-CoA,C39H66N7O22P3S,"InChI=1S/C39H66N7O22P3S/c1-23-25(48)18-26(49)38(65-23)62-15-10-8-6-4-5-7-9-11-24(47)17-29(51)72-16-14-41-28(50)12-13-42-36(54)33(53)39(2,3)20-64-71(60,61)68-70(58,59)63-19-27-32(67-69(55,56)57)31(52)37(66-27)46-22-45-30-34(40)43-21-44-35(30)46/h21-23,25-27,31-33,37-38,48-49,52-53H,4-20H2,1-3H3,(H,41,50)(H,42,54)(H,58,59)(H,60,61)(H2,40,43,44)(H2,55,56,57)/t23-,25+,26+,27+,31+,32+,33-,37+,38+/m0/s1",AJNDFUYMDZHGRA-NQJQYTTBSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139922,,,,,,,
WJ000384,bkos#22,C19H34O7,"InChI=1S/C19H34O7/c1-14-16(21)13-17(22)19(26-14)25-11-9-7-5-3-2-4-6-8-10-15(20)12-18(23)24/h14,16-17,19,21-22H,2-13H2,1H3,(H,23,24)/t14-,16+,17+,19+/m0/s1",QEYNEQYNKJBVIN-KNIMUDFMSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139924,,,,,,,
WJ000385,bkos#22-CoA,C40H68N7O22P3S,"InChI=1S/C40H68N7O22P3S/c1-24-26(49)19-27(50)39(66-24)63-16-11-9-7-5-4-6-8-10-12-25(48)18-30(52)73-17-15-42-29(51)13-14-43-37(55)34(54)40(2,3)21-65-72(61,62)69-71(59,60)64-20-28-33(68-70(56,57)58)32(53)38(67-28)47-23-46-31-35(41)44-22-45-36(31)47/h22-24,26-28,32-34,38-39,49-50,53-54H,4-21H2,1-3H3,(H,42,51)(H,43,55)(H,59,60)(H,61,62)(H2,41,44,45)(H2,56,57,58)/t24-,26+,27+,28+,32+,33+,34-,38+,39+/m0/s1",KZLLMHRQZUFGPG-NCOQZWFFSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139926,,,,,,,
WJ000386,bkos#24,C20H36O7,"InChI=1S/C20H36O7/c1-15-17(22)14-18(23)20(27-15)26-12-10-8-6-4-2-3-5-7-9-11-16(21)13-19(24)25/h15,17-18,20,22-23H,2-14H2,1H3,(H,24,25)/t15-,17+,18+,20+/m0/s1",AIEAPXFPBVVEMM-ZCDKGFTFSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139928,,,,,,,
WJ000387,bkos#24-CoA,C41H70N7O22P3S,"InChI=1S/C41H70N7O22P3S/c1-25-27(50)20-28(51)40(67-25)64-17-12-10-8-6-4-5-7-9-11-13-26(49)19-31(53)74-18-16-43-30(52)14-15-44-38(56)35(55)41(2,3)22-66-73(62,63)70-72(60,61)65-21-29-34(69-71(57,58)59)33(54)39(68-29)48-24-47-32-36(42)45-23-46-37(32)48/h23-25,27-29,33-35,39-40,50-51,54-55H,4-22H2,1-3H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/t25-,27+,28+,29+,33+,34+,35-,39+,40+/m0/s",KOOYXIKZAMFMQF-JBZRVMOZSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139930,,,,,,,
WJ000388,bkos#26,C21H38O7,"InChI=1S/C21H38O7/c1-16-18(23)15-19(24)21(28-16)27-13-11-9-7-5-3-2-4-6-8-10-12-17(22)14-20(25)26/h16,18-19,21,23-24H,2-15H2,1H3,(H,25,26)/t16-,18+,19+,21+/m0/s1",ZYUWEIIDMKELLR-HKJQZYRSSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139932,,,,,,,
WJ000389,bkos#26-CoA,C42H72N7O22P3S,"InChI=1S/C42H72N7O22P3S/c1-26-28(51)21-29(52)41(68-26)65-18-13-11-9-7-5-4-6-8-10-12-14-27(50)20-32(54)75-19-17-44-31(53)15-16-45-39(57)36(56)42(2,3)23-67-74(63,64)71-73(61,62)66-22-30-35(70-72(58,59)60)34(55)40(69-30)49-25-48-33-37(43)46-24-47-38(33)49/h24-26,28-30,34-36,40-41,51-52,55-56H,4-23H2,1-3H3,(H,44,53)(H,45,57)(H,61,62)(H,63,64)(H2,43,46,47)(H2,58,59,60)/t26-,28+,29+,30+,34+,35+,36-,40+,41+/m0/s1",RNGXWGWSIXNJNH-MCKZJXPSSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139934,,,,,,,
WJ000390,bkos#28,C22H40O7,"InChI=1S/C22H40O7/c1-17-19(24)16-20(25)22(29-17)28-14-12-10-8-6-4-2-3-5-7-9-11-13-18(23)15-21(26)27/h17,19-20,22,24-25H,2-16H2,1H3,(H,26,27)/t17-,19+,20+,22+/m0/s1",ROKPPLKXJYFRQP-RJJVWVDVSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139936,,,,,,,
WJ000391,bkos#28-CoA,C43H74N7O22P3S,"InChI=1S/C43H74N7O22P3S/c1-27-29(52)22-30(53)42(69-27)66-19-14-12-10-8-6-4-5-7-9-11-13-15-28(51)21-33(55)76-20-18-45-32(54)16-17-46-40(58)37(57)43(2,3)24-68-75(64,65)72-74(62,63)67-23-31-36(71-73(59,60)61)35(56)41(70-31)50-26-49-34-38(44)47-25-48-39(34)50/h25-27,29-31,35-37,41-42,52-53,56-57H,4-24H2,1-3H3,(H,45,54)(H,46,58)(H,62,63)(H,64,65)(H2,44,47,48)(H2,59,60,61)/t27-,29+,30+,31+,35+,36+,37-,41+,42+/m0/s",KXYKIKCZOWBPPM-WVYCKIPGSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139938,,,,,,,
WJ000392,bkos#30,C23H42O7,"InChI=1S/C23H42O7/c1-18-20(25)17-21(26)23(30-18)29-15-13-11-9-7-5-3-2-4-6-8-10-12-14-19(24)16-22(27)28/h18,20-21,23,25-26H,2-17H2,1H3,(H,27,28)/t18-,20+,21+,23+/m0/s1",WBJYSXRSIAGUFW-BWKHYTDRSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139940,,,,,,,
WJ000393,bkos#30-CoA,C44H76N7O22P3S,"InChI=1S/C44H76N7O22P3S/c1-28-30(53)23-31(54)43(70-28)67-20-15-13-11-9-7-5-4-6-8-10-12-14-16-29(52)22-34(56)77-21-19-46-33(55)17-18-47-41(59)38(58)44(2,3)25-69-76(65,66)73-75(63,64)68-24-32-37(72-74(60,61)62)36(57)42(71-32)51-27-50-35-39(45)48-26-49-40(35)51/h26-28,30-32,36-38,42-43,53-54,57-58H,4-25H2,1-3H3,(H,46,55)(H,47,59)(H,63,64)(H,65,66)(H2,45,48,49)(H2,60,61,62)/t28-,30+,31+,32+,36+,37+,38-,42+,43+/m0/s1",DCFYDWXLOJZNMV-XVZYYBCOSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139942,,,,,,,
WJ000394,bkos#32,C24H44O7,"InChI=1S/C24H44O7/c1-19-21(26)18-22(27)24(31-19)30-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-20(25)17-23(28)29/h19,21-22,24,26-27H,2-18H2,1H3,(H,28,29)/t19-,21+,22+,24+/m0/s1",XZCVSZXMQDQUSB-IEEQIXEPSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139944,,,,,,,
WJ000395,bkos#32-CoA,C45H78N7O22P3S,"InChI=1S/C45H78N7O22P3S/c1-29-31(54)24-32(55)44(71-29)68-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-30(53)23-35(57)78-22-20-47-34(56)18-19-48-42(60)39(59)45(2,3)26-70-77(66,67)74-76(64,65)69-25-33-38(73-75(61,62)63)37(58)43(72-33)52-28-51-36-40(46)49-27-50-41(36)52/h27-29,31-33,37-39,43-44,54-55,58-59H,4-26H2,1-3H3,(H,47,56)(H,48,60)(H,64,65)(H,66,67)(H2,46,49,50)(H2,61,62,63)/t29-,31+,32+,33+,37+,38+,39-,43+,44+/m0/s1",APBHWNXEAUZPBJ-YCHRLHCWSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139946,,,,,,,
WJ000396,bkos#34,C25H46O7,"InChI=1S/C25H46O7/c1-20-22(27)19-23(28)25(32-20)31-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-21(26)18-24(29)30/h20,22-23,25,27-28H,2-19H2,1H3,(H,29,30)/t20-,22+,23+,25+/m0/s1",JXEOQVNRNLRIBS-LVVCFHABSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139948,,,,,,,
WJ000397,bkos#34-CoA,C46H80N7O22P3S,"InChI=1S/C46H80N7O22P3S/c1-30-32(55)25-33(56)45(72-30)69-22-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-31(54)24-36(58)79-23-21-48-35(57)19-20-49-43(61)40(60)46(2,3)27-71-78(67,68)75-77(65,66)70-26-34-39(74-76(62,63)64)38(59)44(73-34)53-29-52-37-41(47)50-28-51-42(37)53/h28-30,32-34,38-40,44-45,55-56,59-60H,4-27H2,1-3H3,(H,48,57)(H,49,61)(H,65,66)(H,67,68)(H2,47,50,51)(H2,62,63,64)/t30-,32+,33+,34+,38+,39+,40-,44+,45+/m0/s1",DFQWHFGHAMKSPO-NJQKTMOASA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139950,,,,,,,
WJ000398,bkos#36,C26H48O7,"InChI=1S/C26H48O7/c1-21-23(28)20-24(29)26(33-21)32-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22(27)19-25(30)31/h21,23-24,26,28-29H,2-20H2,1H3,(H,30,31)/t21-,23+,24+,26+/m0/s1",KHVXYRDBDLMDMB-YZWUSWEISA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139952,,,,,,,
WJ000399,bkos#36-CoA,C47H82N7O22P3S,"InChI=1S/C47H82N7O22P3S/c1-31-33(56)26-34(57)46(73-31)70-23-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-32(55)25-37(59)80-24-22-49-36(58)20-21-50-44(62)41(61)47(2,3)28-72-79(68,69)76-78(66,67)71-27-35-40(75-77(63,64)65)39(60)45(74-35)54-30-53-38-42(48)51-29-52-43(38)54/h29-31,33-35,39-41,45-46,56-57,60-61H,4-28H2,1-3H3,(H,49,58)(H,50,62)(H,66,67)(H,68,69)(H2,48,51,52)(H2,63,64,65)/t31-,33+,34+,35+,39+,40+,41-,45+,46+/m0/s1",PZVCNCBAEUMLNN-NUBFDJBOSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139954,,,,,,,
WJ000400,bkos#38,C27H50O7,"InChI=1S/C27H50O7/c1-22-24(29)21-25(30)27(34-22)33-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-23(28)20-26(31)32/h22,24-25,27,29-30H,2-21H2,1H3,(H,31,32)/t22-,24+,25+,27+/m0/s1",JNNOKSGGRUSJAB-YEEIMHOPSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139956,,,,,,,
WJ000401,bkos#38-CoA,C48H84N7O22P3S,"InChI=1S/C48H84N7O22P3S/c1-32-34(57)27-35(58)47(74-32)71-24-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-33(56)26-38(60)81-25-23-50-37(59)21-22-51-45(63)42(62)48(2,3)29-73-80(69,70)77-79(67,68)72-28-36-41(76-78(64,65)66)40(61)46(75-36)55-31-54-39-43(49)52-30-53-44(39)55/h30-32,34-36,40-42,46-47,57-58,61-62H,4-29H2,1-3H3,(H,50,59)(H,51,63)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t32-,34+,35+,36+,40+,41+,42-,46+,47+/m0/s1",HFVNRVKVUDIOGD-UMGNQYTGSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O,CHEBI:139958,,,,,,,
WJ000402,bkos#9,C11H18O7,"InChI=1S/C11H18O7/c1-6-8(13)5-9(14)11(18-6)17-3-2-7(12)4-10(15)16/h6,8-9,11,13-14H,2-5H2,1H3,(H,15,16)/t6-,8+,9+,11+/m0/s1",XKFOFXRCSUBDPV-YXYNTAJPSA-N,C[C@@H]1O[C@@H](OCCC(=O)CC(O)=O)[C@H](O)C[C@H]1O,CHEBI:139960,,,,,,,
WJ000403,bkos#9-CoA,C32H52N7O22P3S,"InChI=1S/C32H52N7O22P3S/c1-16-18(41)11-19(42)31(58-16)55-8-5-17(40)10-22(44)65-9-7-34-21(43)4-6-35-29(47)26(46)32(2,3)13-57-64(53,54)61-63(51,52)56-12-20-25(60-62(48,49)50)24(45)30(59-20)39-15-38-23-27(33)36-14-37-28(23)39/h14-16,18-20,24-26,30-31,41-42,45-46H,4-13H2,1-3H3,(H,34,43)(H,35,47)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t16-,18+,19+,20+,24+,25+,26-,30+,31+/m0/s1",QUSYCGNKRPSLGM-SSTSQUPRSA-N,C[C@@H]1O[C@@H](OCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:139962,,,,,,,
WJ000404,O-butanoyl-L-carnitine,C11H21NO4,"InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1",QWYFHHGCZUCMBN-SECBINFHSA-N,CCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,CHEBI:21949,C02862,HMDB0002013;HMDB02013,LMFA07070003,Q27109418,213144,184820,DTXSID10180266
WJ000405,biotin,C10H16N2O3S,"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)/t6-,7-,9-/m0/s1",YBJHBAHKTGYVGT-ZKWXMUAHSA-N,[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2,CHEBI:15956;CHEBI:41236,C00120,HMDB00030;HMDB0000030,,Q181354,171548,149962,DTXSID7022679
WJ000406,butyric acid,C4H8O2,"InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",FERIUCNNQQJTOY-UHFFFAOYSA-N,CCCC(O)=O,CHEBI:41208;CHEBI:30772,C00246,HMDB0000039;HMDB00039,LMFA01010004,Q193213,264,259,DTXSID8021515
WJ000407,13-methyltetradecanal,C15H30O,"InChI=1S/C15H30O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h14-15H,3-13H2,1-2H3",KEKMLOYOUUVRDN-UHFFFAOYSA-N,[H]C(=O)CCCCCCCCCCCC(C)C,CHEBI:71034,,,LMFA06000258,Q27139265,11085507,9260653,DTXSID60454702
WJ000408,trans-13-methyltetradec-2-enal,C15H28O,"InChI=1S/C15H28O/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h10,12,14-15H,3-9,11,13H2,1-2H3/b12-10+",XCQVBFWYULNOQE-ZRDIBKRKSA-N,[H]C(=O)\C=C\CCCCCCCCCC(C)C,CHEBI:70995,,,LMFA06000261,Q27139238,11333582,9508528,
WJ000409,3-dehydro-15-methylhexadecasphinganine,C17H35NO2,"InChI=1S/C17H35NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h15-16,19H,3-14,18H2,1-2H3/t16-/m0/s1",RGDAORVPVAQJHT-INIZCTEOSA-N,CC(C)CCCCCCCCCCCC(=O)[C@@H](N)CO,CHEBI:70843,,,,Q27139139,70678996,28533328,
WJ000410,15-methylhexadecasphing-4-enine-1-phosphocholine,C22H47N2O5P,"InChI=1S/C22H47N2O5P/c1-20(2)15-13-11-9-7-6-8-10-12-14-16-22(25)21(23)19-29-30(26,27)28-18-17-24(3,4)5/h14,16,20-22,25H,6-13,15,17-19,23H2,1-5H3/b16-14+/t21-,22+/m0/s1",IKLLJLKSBDTNCU-DSKXTJLJSA-N,CC(C)CCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP([O-])(=O)OCC[N+](C)(C)C,CHEBI:71056,,,,Q27139285,70679040,28533431,
WJ000411,15-methylhexadecasphinganine 1-phosphate,C17H38NO5P,"InChI=1S/C17H38NO5P/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(19)16(18)14-23-24(20,21)22/h15-17,19H,3-14,18H2,1-2H3,(H2,20,21,22)/t16-,17+/m0/s1",NWNOHXIGPZLKDY-DLBZAZTESA-N,CC(C)CCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O,CHEBI:71059,,,,Q27139288,70679056,28533433,
WJ000412,15-methylhexadecasphinganine,C17H37NO2,"InChI=1S/C17H37NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h15-17,19-20H,3-14,18H2,1-2H3/t16-,17+/m0/s1",VFYHIOGWELBGIK-DLBZAZTESA-N,CC(C)CCCCCCCCCCC[C@@H](O)[C@@H](N)CO,CHEBI:70852,,,,Q27139145,70679000,28533333,DTXSID30742628
WJ000413,15-methylhexadecasphing-4-enine,C17H35NO2,"InChI=1S/C17H35NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h11,13,15-17,19-20H,3-10,12,14,18H2,1-2H3/b13-11+/t16-,17+/m0/s1",LZKPPSAEINBHRP-KORIGIIASA-N,CC(C)CCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO,CHEBI:70798,,,LMSP01080005,Q27139101,42608345,24823208,
WJ000414,15-methylhexadecasphing-4-enine 1-phosphate,C17H36NO5P,"InChI=1S/C17H36NO5P/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(19)16(18)14-23-24(20,21)22/h11,13,15-17,19H,3-10,12,14,18H2,1-2H3,(H2,20,21,22)/b13-11+/t16-,17+/m0/s1",KGHLSJONZZZQPJ-KORIGIIASA-N,CC(C)CCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O,CHEBI:71036,,,,Q27139267,70679238,28533417,
WJ000415,N-carbamoyl-beta-alanine,C4H8N2O3,"InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)",JSJWCHRYRHKBBW-UHFFFAOYSA-N,NC(=O)NCCC(O)=O,CHEBI:18261;CHEBI:46352;CHEBI:11892,C02642,HMDB0000026;HMDB62812;HMDB00026;HMDB0062812,,Q3008585,111;6971254,109,DTXSID60196771
WJ000416,"3',5'-cyclic AMP",C10H12N5O6P,"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)/t4-,6-,7-,10-/m1/s1",IVOMOUWHDPKRLL-KQYNXXCUSA-N,NC1=C2N=CN([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)C2=NC=N1,CHEBI:17489,C00575,HMDB0000058;HMDB00058,,Q210041,6076,5851,DTXSID8040436
WJ000417,O-decanoyl-L-carnitine,C17H33NO4,"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/t15-/m1/s1",LZOSYCMHQXPBFU-GGYSOQFKNA-N,CCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000418,O-decanoyl-L-carnitine,C17H33NO4,"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/t15-/m1/s1",LZOSYCMHQXPBFU-OAHLLOKOSA-N,CCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,CHEBI:28717,C03299,HMDB62631;HMDB0062631,LMFA07070006,Q27103858,11953821,10128122,
WJ000419,O-dodecanoyl-L-carnitine,C19H37NO4,"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",FUJLYHJROOYKRA-QGZVFWFLSA-N,CCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,CHEBI:77086,,HMDB02250;HMDB0002250,LMFA07070062,Q27146632,168381,147288,
WJ000420,11-methyldodecanoyl-L-carnitine,C20H39NO4,"InChI=1/C20H39NO4/c1-17(2)13-11-9-7-6-8-10-12-14-20(24)25-18(15-19(22)23)16-21(3,4)5/h17-18H,6-16H2,1-5H3/t18-/s2",WVSKAENGKYNHGM-LGWFVXIRNA-N,CC(C)CCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000421,O-tetradecanoyl-L-carnitine,C21H41NO4,"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",PSHXNVGSVNEJBD-LJQANCHMSA-N,CCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,CHEBI:84634,,HMDB0005066;HMDB05066,LMFA07070107,Q27157950,53477791,30776567,
WJ000422,13-methyltetradecanoyl-L-carnitine,C22H43NO4,"InChI=1/C22H43NO4/c1-19(2)15-13-11-9-7-6-8-10-12-14-16-22(26)27-20(17-21(24)25)18-23(3,4)5/h19-20H,6-18H2,1-5H3/t20-/s2",ZXSCUWOHNPYHGO-GNLPSFAGNA-N,CC(C)CCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000423,O-palmitoyl-L-carnitine,C23H45NO4,"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",XOMRRQXKHMYMOC-OAQYLSRUSA-N,CCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,CHEBI:17490,C02990,HMDB0000222;HMDB00222,LMFA07070004,Q27102424,11953816,10128117,
WJ000424,15-methylhexadecanoyl-L-carnitine,C24H47NO4,"InChI=1/C24H47NO4/c1-21(2)17-15-13-11-9-7-6-8-10-12-14-16-18-24(28)29-22(19-23(26)27)20-25(3,4)5/h21-22H,6-20H2,1-5H3/t22-/s2",BGFOOMQLURIKCP-ANBDAQEENA-N,CC(C)CCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000425,O-palmitoleyl-L-carnitine,C23H43NO4,"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",JFAGPSOZZSTLRF-GYKXUYELNA-N,CCCCCC\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000426,O-stearoyl-L-carnitine,C25H49NO4,"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/t23-/m1/s1",FNPHNLNTJNMAEE-QWVACARCNA-N,CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000427,O-17-methyloctadecanoyl-L-carnitine,C26H51NO4,"InChI=1/C26H51NO4/c1-23(2)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-26(30)31-24(21-25(28)29)22-27(3,4)5/h23-24H,6-22H2,1-5H3/t24-/s2",USEXJCCNPVRQHM-FQKVKQEKNA-N,CC(C)CCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000428,O-vaccenyl-L-carnitine,C25H47NO4,"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",HITOYGLMAFIRNI-JCKUYFFHSA-N,CCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CCC(=O)[O-])[N+](C)(C)C,CHEBI:89742,,HMDB13338,,Q27161932,53481695,30776715,
WJ000429,oleoyl-L-carnitine,C25H47NO4,"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-/t23-/m1/s1",IPOLTUVFXFHAHI-WHIOSMTNSA-N,CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,CHEBI:84651,,HMDB0005065;HMDB05065,,Q27157965,46907933,21403150,
WJ000430,O-gamma-linolenoyl-L-carnitine,C25H43NO4,"InChI=1S/C25H43NO4/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/h9-10,12-13,15-16,23H,5-8,11,14,17-22H2,1-4H3/b10-9-,13-12-,16-15-/t23-/m1/s1",YCINYVPLUUGAJO-MOCPCWPDNA-N,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000431,O-alpha-Linolenoyl-L-carnitine,C25H43NO4,"InChI=1/C25H43NO4/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/h6-7,9-10,12-13,23H,5,8,11,14-22H2,1-4H3/b7-6-,10-9-,13-12-/t23-/s2",WJCRATGUUISKDG-QPKKWJRPNA-N,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000432,O-Stearidonyl-L-carnitine,C25H41NO4,"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/h6-7,9-10,12-13,15-16,23H,5,8,11,14,17-22H2,1-4H3/b7-6-,10-9-,13-12-,16-15-/t23-/m1/s1",KUEMHIPTNWTLCC-HXPYEGJENA-N,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000433,O-arachidoyl-L-carnitine,C27H53NO4,"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/t25-/m1/s1",SVJLJQBGUITFLI-RUZDIDTESA-N,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,CHEBI:84645,,HMDB06460,,Q27157961,90659870,34999519,
WJ000434,O-dihomo-gamma-linolenyl-L-carnitine,C27H47NO4,"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/h9-10,12-13,15-16,25H,5-8,11,14,17-24H2,1-4H3/b10-9-,13-12-,16-15-/t25-/m1/s1",RDIZZXFTCZPSRY-ZRRYZNKENA-N,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000435,O-arachidonoyl-L-carnitine,C25H43NO4,"InChI=1/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/h9-10,12-13,15-16,18-19,25H,5-8,11,14,17,20-24H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t25-/s2",RBFQHRALHSUPIA-LCAHIEFCNA-N,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000436,O-arachidonoyl-L-carnitine,C27H45NO4,"InChI=1/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/h9-10,12-13,15-16,18-19,25H,5-8,11,14,17,20-24H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t25-/s2",RBFQHRALHSUPIA-LCAHIEFCNA-N,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000437,"O-(8Z,11Z,14Z,17Z)-icosatetraenoyl-L-carnitine",C27H45NO4,"InChI=1/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-/s2",VPEBWBVNBKLXSR-SDNBJKDINA-N,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000438,O-timnodonyl-L-carnitine,C27H43NO4,"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",USUPQTJPNBGUSJ-OAYSXPAYNA-N,[H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000439,O-docosanoyl-L-carnitine,C29H57NO4,"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/t27-/m1/s1",IUMXSSOVGPXXJL-XUESUEPENA-N,CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000440,O-tetracosanoyl-L-carnitine,C31H61NO4,"InChI=1S/C31H61NO4/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/h29H,5-28H2,1-4H3/t29-/m1/s1",YDUFZFUYBBPVLJ-KSTXGFNDNA-N,CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000441,cerotoyl-L-carnitine,C33H65NO4,"InChI=1/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/t31-/s2",KOCKWDDTAHPJSX-GUZXWJHPNA-N,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000442,O-hexanoyl-L-carnitine,C13H25NO4,"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/t11-/m1/s1",VVPRQWTYSNDTEA-LLVKDONJSA-N,CCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,CHEBI:84834,,HMDB00756;HMDB0000756,LMFA07070001,Q27158103,3246938,2497478,
WJ000443,O-octanoyl-L-carnitine,C15H29NO4,"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",CXTATJFJDMJMIY-CYBMUJFWSA-N,CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,CHEBI:18102,C02838,HMDB00791;HMDB0000791,LMFA07070002,Q27102821,11953814,10128115,
WJ000444,beta-carotene,C40H56,"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+",OENHQHLEOONYIE-JLTXGRSLSA-N,C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,CHEBI:17579,,HMDB0000561;HMDB00561,LMPR01070001,Q306135,5927371;5280489,4444129,DTXSID3020253
WJ000445,N-carbamoyl-L-aspartic acid,C5H8N2O5,"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)/t2-/m0/s1",HLKXYZVTANABHZ-REOHCLBHSA-N,NC(=O)N[C@@H](CC(O)=O)C(O)=O,CHEBI:15859,C00438,HMDB00828;HMDB0000828,,Q55177068,93072,84022,
WJ000446,cob(I)alamin,C62H89CoN13O14P,"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-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1",OMAOKVYASDIYQG-DSRCUDDDSA-M,[H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP(O)(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)N4C=[N+](C5=CC(C)=C(C)C=C45)[Co-4]456N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O,CHEBI:3784;CHEBI:15982,C00853,HMDB03429;HMDB0003429,,Q27098329,25195380;53477772,,
WJ000447,carbamoyl phosphate,CH4NO5P,"InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)",FFQKYPRQEYGKAF-UHFFFAOYSA-N,NC(=O)OP(O)(O)=O,CHEBI:17672,C00169,HMDB01096;HMDB0001096,,Q424409,278,272,
WJ000448,CDP,C9H15N3O11P2,"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)/t4-,6-,7-,8-/m1/s1",ZWIADYZPOWUWEW-XVFCMESISA-N,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,CHEBI:17239,C00112,HMDB0001546;HMDB01546,,Q416847,6132,5902,
WJ000449,CDP-choline(1+),C14H27N4O11P2,"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",RZZPDXZPRHQOCG-OJAKKHQRSA-O,C[N+](C)(C)CCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,CHEBI:49086,,,,Q421308,13805,13208,DTXSID9048431
WJ000450,CDP-ethanolamine,C11H20N4O11P2,"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)/t6-,8-,9-,10-/m1/s1",WVIMUEUQJFPNDK-PEBGCTIMSA-N,NCCOP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O,CHEBI:16732;CHEBI:13257,C00570,HMDB0001564;HMDB01564,,Q26997412,123727,110296,
WJ000451,L-cysteinylglycine,C5H10N2O3S,"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",ZUKPVRWZDMRIEO-VKHMYHEASA-N,N[C@@H](CS)C(=O)NCC(O)=O,CHEBI:61694;CHEBI:4047,C01419,HMDB0000078;HMDB00078,,Q27106297,439498,388596,DTXSID10864877
WJ000452,"5alpha-cholesta-7,24-dien-3beta-ol",C27H44O,"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",PKEPPDGGTSZLBL-SKCNUYALSA-N,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C,CHEBI:16290;CHEBI:2140,C05439,,LMST01010206,Q27101835,5459827,4573588,DTXSID50862357
WJ000453,choline,C5H14NO,"InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1",OEYIOHPDSNJKLS-UHFFFAOYSA-N,C[N+](C)(C)CCO,CHEBI:15354,C00114,HMDB00097;HMDB0000097,,Q193166,305,299,DTXSID8043789
WJ000454,cholic acid,C24H40O5,"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)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1",BHQCQFFYRZLCQQ-OELDTZBJSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O,CHEBI:41494;CHEBI:16359,C00695,HMDB00619;HMDB0000619,LMST04010001,Q287415,221493,192176,DTXSID6040660
WJ000455,choloyl-CoA,C45H74N7O20P3S,"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)/t23-,24+,25-,26-,27+,28+,29-,30-,31+,34+,36-,37-,38+,42-,44+,45-/m1/s1",ZKWNOTQHFKYUNU-JGCIYWTLSA-N,[H][C@@](C)(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C,CHEBI:15519;CHEBI:3671,C01794,,,Q27098074,644071,559123,
WJ000456,"(24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA",C48H78N7O20P3S,"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)/b26-9+/t25-,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",QVDPWQVOSKJUES-JMOYVIBVSA-N,[H][C@@](C)(CC\C=C(/C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C,CHEBI:52432,,,LMFA07050102,Q27123433,46224544,26330579,
WJ000457,"3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA",C48H78N7O21P3S,"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)/t24-,25?,26+,27-,28-,29+,30+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",AWLXQJGPNLCTLM-YFXOTMPNSA-N,[H][C@@](C)(CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C,CHEBI:27379,,,,Q27103097,25195379,21864886,
WJ000458,"(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA",C48H80N7O20P3S,"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)/t25-,26-,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",MNYDLIUNNOCPHG-FJWDCHQMSA-N,[H][C@@](C)(CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C,CHEBI:37642,C15613,HMDB0060305;HMDB60305,LMFA07050104,Q27117214,15942889,13085542,
WJ000459,"(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA",C48H80N7O20P3S,"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)/t25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,36+,38-,39-,40+,44-,47+,48-/m1/s1",MNYDLIUNNOCPHG-SEGQUPMDSA-N,[H][C@@](C)(CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C,CHEBI:37643,C17343,HMDB60307;HMDB0060307,LMFA07050106,Q27117216,15942888,13085541,
WJ000460,phosphocholine,C5H15NO4P,"InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1",YHHSONZFOIEMCP-UHFFFAOYSA-O,C[N+](C)(C)CCOP(O)(O)=O,CHEBI:18132;CHEBI:44707,C00588,HMDB0001565;HMDB01565,,Q576895,1014,989,
WJ000461,cholest-4-en-3-one,C27H44O,"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/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1",NYOXRYYXRWJDKP-GYKMGIIDSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,CHEBI:16175,C00599,HMDB00921;HMDB0000921,LMST01010015,Q27098418,91477,82602,DTXSID90872379
WJ000462,cholesterol,C27H46O,"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",HVYWMOMLDIMFJA-DPAQBDIFSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,CHEBI:16113,C00187,HMDB0000067;HMDB00067,LMST01010001,Q43656,5997,5775,DTXSID3022401
WJ000463,"N,N'-diacetylchitobiose",C16H28N2O11,"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+/m1/s1",CDOJPCSDOXYJJF-CBTAGEKQSA-N,CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O,CHEBI:28681,C01674,HMDB62702;HMDB0062702,,Q27103835,439544,388637;21403149,DTXSID70956505
WJ000464,chitotriose,C18H35N3O13,"InChI=1S/C18H35N3O13/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17/h4-18,22-29H,1-3,19-21H2/t4-,5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16?,17+,18+/m1/s1",RQFQJYYMBWVMQG-NLJWRWSBSA-N,N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H]1O,,,,,,,,
WJ000465,Cinnavalininate,C14H8N2O6,"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)",FSBKJYLVDRVPTK-UHFFFAOYSA-N,Nc1c(C(O)=O)c2nc3c(cccc3oc2cc1=O)C(O)=O,CHEBI:3715,C05640,HMDB04078;HMDB0004078,,Q27106176,114918,102864,DTXSID30209408
WJ000466,citric acid,C6H8O7,"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)",KRKNYBCHXYNGOX-UHFFFAOYSA-N,OC(=O)CC(O)(CC(O)=O)C(O)=O,CHEBI:30769,C00158,HMDB00094;HMDB0000094,,Q159683,311,305,DTXSID3020332
WJ000467,L-citrulline,C6H13N3O3,"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",RHGKLRLOHDJJDR-BYPYZUCNSA-N,N[C@@H](CCCNC(N)=O)C(O)=O,CHEBI:16349,C00327,HMDB00904;HMDB0000904,,Q408641,9750,9367,DTXSID80883373
WJ000468,cellobiose,C12H22O11,"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",GUBGYTABKSRVRQ-CUHNMECISA-N,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,CHEBI:17057;CHEBI:41353,C00185,,,Q409017,439178,388323,
WJ000469,cytidine 5'-monophosphate,C9H14N3O8P,"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)/t4-,6-,7-,8-/m1/s1",IERHLVCPSMICTF-XVFCMESISA-N,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,CHEBI:23520;CHEBI:17361,C00055,HMDB00095;HMDB0000095,,Q412622,6131,5901,DTXSID50889322
WJ000470,2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid,C7H7NO5,"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)",KACPVQQHDVBVFC-UHFFFAOYSA-N,[H]C(=O)C([H])=C([H])C(C(O)=O)=C(N)C(O)=O,CHEBI:19448;CHEBI:994,,HMDB01330;HMDB0062578;HMDB62578,,Q27109180,23;9543319,22,DTXSID10274255
WJ000471,carbon monoxide,CO,InChI=1S/CO/c1-2,UGFAIRIUMAVXCW-UHFFFAOYSA-N,[C-]#[O+],CHEBI:17245,C00237,HMDB01361;HMDB0001361,,Q2025,281,275,DTXSID5027273
WJ000472,carbon dioxide,CO2,InChI=1S/CO2/c2-1-3,CURLTUGMZLYLDI-UHFFFAOYSA-N,O=C=O,CHEBI:16526,C00011,HMDB01967;HMDB0001967,,Q1997,280,274,DTXSID4027028
WJ000473,coenzyme A,C21H36N7O16P3S,"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)/t11-,14-,15-,16+,20-/m1/s1",RGJOEKWQDUBAIZ-IBOSZNHHSA-N,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS,CHEBI:15346,C00010,HMDB0001423;HMDB01423,,,87642,,
WJ000474,3-oxodecanoyl-CoA,C31H52N7O18P3S,"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)/t20-,24-,25-,26+,30-/m1/s1",AZCVXMAPLHSIKY-HSJNEKGZSA-N,CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:28528;CHEBI:1633,C05265,HMDB03939,LMFA07050239,Q27103757,11966155,10140149,
WJ000475,3-Oxo-9-methyldecanoyl-CoA,C32H54N7O18P3S/,"InChI=1S/C32H54N7O18P3S/c1-19(2)8-6-5-7-9-20(40)14-23(42)61-13-12-34-22(41)10-11-35-30(45)27(44)32(3,4)16-54-60(51,52)57-59(49,50)53-15-21-26(56-58(46,47)48)25(43)31(55-21)39-18-38-24-28(33)36-17-37-29(24)39/h17-19,21,25-27,31,43-44H,5-16H2,1-4H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/t21-,25-,26-,27+,31-/m0/s1",GJYKCULWTPKFRB-IRIRNWBTSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000476,3-Oxo-9-methyldecanoyl-CoA,C32H54N7O18P3S,"InChI=1S/C32H54N7O18P3S/c1-19(2)8-6-5-7-9-20(40)14-23(42)61-13-12-34-22(41)10-11-35-30(45)27(44)32(3,4)16-54-60(51,52)57-59(49,50)53-15-21-26(56-58(46,47)48)25(43)31(55-21)39-18-38-24-28(33)36-17-37-29(24)39/h17-19,21,25-27,31,43-44H,5-16H2,1-4H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/t21-,25-,26-,27+,31-/m0/s1",GJYKCULWTPKFRB-IRIRNWBTSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000477,(S)-3-hydroxydecanoyl-CoA,C31H54N7O18P3S,"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)/t19-,20+,24+,25+,26-,30+/m0/s1",HIVSMYZAMUNFKZ-PNPVFPMQSA-N,CCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:28325,C05264,HMDB03938,,Q27103637,11966158,10140152,
WJ000478,(S)-3-Hydroxy-9-methyldecanoyl-CoA,C32H56N7O18P3S,"InChI=1S/C32H56N7O18P3S/c1-19(2)8-6-5-7-9-20(40)14-23(42)61-13-12-34-22(41)10-11-35-30(45)27(44)32(3,4)16-54-60(51,52)57-59(49,50)53-15-21-26(56-58(46,47)48)25(43)31(55-21)39-18-38-24-28(33)36-17-37-29(24)39/h17-21,25-27,31,40,43-44H,5-16H2,1-4H3,(H,34,41)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/t20-,21+,25+,26+,27-,31+/m0/s1",JDUWMWJXDWDAGG-WKKRHPGJSA-N,[H][C@](O)(CCCCCC(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000479,9-methyldecanoyl-CoA,C32H56N7O17P3S,"InChI=1S/C32H56N7O17P3S/c1-20(2)10-8-6-5-7-9-11-23(41)60-15-14-34-22(40)12-13-35-30(44)27(43)32(3,4)17-53-59(50,51)56-58(48,49)52-16-21-26(55-57(45,46)47)25(42)31(54-21)39-19-38-24-28(33)36-18-37-29(24)39/h18-21,25-27,31,42-43H,5-17H2,1-4H3,(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-/m0/s1",RCXPSWVRHIYDCZ-IRIRNWBTSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000480,decanoyl-CoA,C31H54N7O17P3S,"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)/t20-,24-,25-,26+,30-/m1/s1",CNKJPHSEFDPYDB-HSJNEKGZSA-N,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:28493;CHEBI:4348,C05274,HMDB06404,LMFA07050022,Q27103740,164800,144473,DTXSID50925532
WJ000481,trans-dec-2-enoyl-CoA,C31H52N7O17P3S,"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)/b11-10+/t20-,24-,25-,26+,30-/m1/s1",MGNBGCRQQFMNBM-YJHHLLFWSA-N,CCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:10723,C05275,HMDB03948,LMFA07050023,Q27108673,24883423,21864765,
WJ000482,trans-9-methyldec-2-enoyl-CoA,C32H54N7O17P3S,"InChI=1S/C32H54N7O17P3S/c1-20(2)10-8-6-5-7-9-11-23(41)60-15-14-34-22(40)12-13-35-30(44)27(43)32(3,4)17-53-59(50,51)56-58(48,49)52-16-21-26(55-57(45,46)47)25(42)31(54-21)39-19-38-24-28(33)36-18-37-29(24)39/h9,11,18-21,25-27,31,42-43H,5-8,10,12-17H2,1-4H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/p-4/b11-9+/t21-,25-,26-,27+,31-/m0/s1",RQFYHLSWELZRBV-FRYPDANNSA-J,[H]\C(CCCCCC(C)C)=C(\[H])C(=O)SCCNC(=O)CCNC(=O)[C@@]([H])(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP([O-])([O-])=O,,,,,,,,
WJ000483,3E-Decenoyl-CoA,C31H52N7O17P3S,"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)/b10-9+/t20-,24-,25-,26+,30-/m1/s1",CQGVNMQHZQJNII-ZJZQAHHTSA-N,CCCCCC\C=C\CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,,HMDB0002137;HMDB02137,LMFA07050386,Q27109955,16019966,13148715,
WJ000484,(3Z)-Decenoyl-CoA(4-),C31H52N7O17P3S,"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)/b10-9-/t20-,24-,25-,26+,30-/m1/s1",CQGVNMQHZQJNII-UUSBZYPOSA-N,[H]\C(CCCCCC)=C(/[H])CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000485,4Z-Decenoyl-CoA,C31H52N7O17P3S,"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)/b9-8-/t20-,24-,25-,26+,30-/m1/s1",QTOYQSMKQWCWOX-SGUJYKCESA-N,CCCCC\C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,,HMDB02145,LMFA07050301,Q27109958,24883430,21864928,
WJ000486,"2E,2Z-Decadienoyl-CoA",C31H50N7O17P3S,"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)/b9-8-,11-10+/t20-,24-,25-,26+,30-/m1/s1",FASAKYLWSRDQOH-IMVFQKDNSA-N,CCCCC\C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,,HMDB0062344;HMDB62344,LMFA07050110,Q27109952,6444117,4948054,
WJ000487,11-methyldodecanoyl-CoA,C34H60N7O17P3S,"InChI=1S/C34H60N7O17P3S/c1-22(2)12-10-8-6-5-7-9-11-13-25(43)62-17-16-36-24(42)14-15-37-32(46)29(45)34(3,4)19-55-61(52,53)58-60(50,51)54-18-23-28(57-59(47,48)49)27(44)33(56-23)41-21-40-26-30(35)38-20-39-31(26)41/h20-23,27-29,33,44-45H,5-19H2,1-4H3,(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-/m0/s1",SAZRNJMTRRCRJX-VAFZQPSJSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000488,3-oxolauroyl-CoA,C33H56N7O18P3S,"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)/t22-,26-,27-,28+,32-/m1/s1",HQANBZHVWIDNQZ-GMHMEAMDSA-N,CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:27868;CHEBI:1636,C05263,HMDB03937,LMFA07050247,Q27103381,11966169,10140162,
WJ000489,3-Oxo-11-methyldodecanoyl-CoA,C34H58N7O18P3S,"InChI=1S/C34H58N7O18P3S/c1-21(2)10-8-6-5-7-9-11-22(42)16-25(44)63-15-14-36-24(43)12-13-37-32(47)29(46)34(3,4)18-56-62(53,54)59-61(51,52)55-17-23-28(58-60(48,49)50)27(45)33(57-23)41-20-40-26-30(35)38-19-39-31(26)41/h19-21,23,27-29,33,45-46H,5-18H2,1-4H3,(H,36,43)(H,37,47)(H,51,52)(H,53,54)(H2,35,38,39)(H2,48,49,50)/t23-,27-,28-,29+,33-/m0/s1",NPNHPOVKALYFTL-VAFZQPSJSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000490,(S)-3-hydroxylauroyl-CoA,C33H58N7O18P3S,"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)/t21-,22+,26+,27+,28-,32+/m0/s1",IJFLXRCJWPKGKJ-LXIXEQKWSA-N,CCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:27668,C05262,HMDB03936,LMFA07050012,Q27103249,11966173,10140166,
WJ000491,(S)-3-Hydroxy-11-methyldodecanoyl-CoA,C34H60N7O18P3S,"InChI=1S/C34H60N7O18P3S/c1-21(2)10-8-6-5-7-9-11-22(42)16-25(44)63-15-14-36-24(43)12-13-37-32(47)29(46)34(3,4)18-56-62(53,54)59-61(51,52)55-17-23-28(58-60(48,49)50)27(45)33(57-23)41-20-40-26-30(35)38-19-39-31(26)41/h19-23,27-29,33,42,45-46H,5-18H2,1-4H3,(H,36,43)(H,37,47)(H,51,52)(H,53,54)(H2,35,38,39)(H2,48,49,50)/t22-,23+,27+,28+,29-,33+/m0/s1",KDNYKTAISAIWBA-LBZMRERQSA-N,[H][C@](O)(CCCCCCCC(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000492,lauroyl-CoA,C33H58N7O17P3S,"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)/t22-,26-,27-,28+,32-/m1/s1",YMCXGHLSVALICC-GMHMEAMDSA-N,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15521,C01832,HMDB03571;HMDB0003571,LMFA07050340,Q27098076,165436,145018,DTXSID10211483
WJ000493,trans-dodec-2-enoyl-CoA,C33H56N7O17P3S,"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)/b13-12+/t22-,26-,27-,28+,32-/m1/s1",IRFYVBULXZMEDE-DEEZISNZSA-N,CCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15471,C03221,,LMFA07050176,Q27089455,11966110,10140104,
WJ000494,trans-11-methyldodec-2-enoyl-CoA,C34H58N7O17P3S,"InChI=1S/C34H58N7O17P3S/c1-22(2)12-10-8-6-5-7-9-11-13-25(43)62-17-16-36-24(42)14-15-37-32(46)29(45)34(3,4)19-55-61(52,53)58-60(50,51)54-18-23-28(57-59(47,48)49)27(44)33(56-23)41-21-40-26-30(35)38-20-39-31(26)41/h11,13,20-23,27-29,33,44-45H,5-10,12,14-19H2,1-4H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/b13-11+/t23-,27-,28-,29+,33-/m0/s1",YCHYHJMQRAXKJR-PUXXFAQNSA-N,[H]\C(CCCCCCCC(C)C)=C(\[H])C(=O)SCCNC(=O)CCNC(=O)[C@@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000495,(3Z)-Dodecenoyl-CoA,C33H56N7O17P3S,"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)/b12-11-/t22-,26-,27-,28+,32-/m1/s1",XEMIVMKTVGRFTD-REDSNERGSA-N,CCCCCCCC\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:27989,,,LMFA07050302,Q27103445,11966217,10140210,
WJ000496,(5Z)-Dodecenoyl-CoA,C33H56N7O17P3S,"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)/b10-9-/t22-,26-,27-,28+,32-/m1/s1",RCVJZGBRLGUTKT-CGGPSVLLSA-N,[H]\C(CCCCCC)=C(/[H])CCCC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000497,3-Oxo-5Z-Dodecenoyl-CoA,C33H54N7O18P3S,"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)/b10-9-/t22-,26-,27-,28+,32-/m1/s1",VKLHSLOWDWGVGP-CGGPSVLLSA-N,[H]\C(CCCCCC)=C(/[H])CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000498,(S)-3-Hydroxy-5Z-Dodecenoyl-CoA,C33H56N7O18P3S,"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)/b10-9-/t21-,22+,26+,27+,28-,32+/m0/s1",AYORDFMYYBNSBO-QCCSJADRSA-N,[H]\C(CCCCCC)=C(/[H])C[C@]([H])(O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000499,3-Oxo-6Z-Dodecenoyl-CoA,C33H54N7O18P3S,"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)/b9-8-/t22-,26-,27-,28+,32-/m1/s1",QERQHDHPFGSFJE-KOYMAPEVSA-N,[H]\C(CCCCC)=C(/[H])CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000500,(S)-3-Hydroxy-6Z-Dodecenoyl-CoA,C33H56N7O18P3S,"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)/b9-8-/t21-,22+,26+,27+,28-,32+/m0/s1",XPCGRNRSXHPWGU-MQKGXVDMSA-N,[H]\C(CCCCC)=C(/[H])CC[C@]([H])(O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000501,"(2E,5Z)-Dodecadieonyl-CoA",C33H54N7O17P3S,"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)/b10-9-,13-12+/t22-,26-,27-,28+,32-/m1/s1",ZSJRXHRCABOSNC-SHJPOGNXSA-N,[H]\C(CCCCCC)=C(/[H])C\C([H])=C(/[H])C(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000502,"2E,6Z-Dodecadienoyl-CoA",C33H54N7O17P3S,"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)/b9-8-,13-12+/t22-,26-,27-,28+,32-/m1/s1",BNPQDIKRZDRREL-GQUYLXGASA-N,CCCCC\C=C/CC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:28387,C05279,HMDB0062630;HMDB62630;HMDB11123,LMFA07050111,Q27103668,11966194,10140187,
WJ000503,"3Z,6Z-Dodecadienoyl-CoA",C33H54N7O17P3S,"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)/b9-8-,12-11-/t22-,26-,27-,28+,32-/m1/s1",KEPSPLQXVPROMK-ASJCJLDXSA-N,CCCCC\C=C/C\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,C05280,HMDB03952,LMFA07050295,Q27103451,11966165,10140158,
WJ000504,13-methyltetradecanoyl-CoA,C36H64N7O17P3S,"InChI=1S/C36H64N7O17P3S/c1-24(2)14-12-10-8-6-5-7-9-11-13-15-27(45)64-19-18-38-26(44)16-17-39-34(48)31(47)36(3,4)21-57-63(54,55)60-62(52,53)56-20-25-30(59-61(49,50)51)29(46)35(58-25)43-23-42-28-32(37)40-22-41-33(28)43/h22-25,29-31,35,46-47H,5-21H2,1-4H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t25-,29-,30-,31+,35-/m0/s1",TZHWAJXXUMOTBV-XYCQRFKUSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000505,3-oxotetradecanoyl-CoA,C35H60N7O18P3S,"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)/t24-,28-,29-,30+,34-/m1/s1",IQNFBGHLIVBNOU-QSGBVPJFSA-N,CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:1654;CHEBI:28726,C05261,HMDB03935;HMDB0003935,LMFA07050256,Q27103864,11966197,10140190,
WJ000506,3-Oxo-13-methyltetradecanoyl-CoA,C36H62N7O18P3S,"InChI=1S/C36H62N7O18P3S/c1-23(2)12-10-8-6-5-7-9-11-13-24(44)18-27(46)65-17-16-38-26(45)14-15-39-34(49)31(48)36(3,4)20-58-64(55,56)61-63(53,54)57-19-25-30(60-62(50,51)52)29(47)35(59-25)43-22-42-28-32(37)40-21-41-33(28)43/h21-23,25,29-31,35,47-48H,5-20H2,1-4H3,(H,38,45)(H,39,49)(H,53,54)(H,55,56)(H2,37,40,41)(H2,50,51,52)/t25-,29-,30-,31+,35-/m0/s1",MAMJAMHAMPVLFR-XYCQRFKUSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000507,(S)-3-hydroxytetradecanoyl-CoA,C35H62N7O18P3S,"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)/t23-,24+,28+,29+,30-,34+/m0/s1",OXBHKMHNDGRDCZ-STLSENOWSA-N,CCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:27466;CHEBI:400,C05260,HMDB03934,LMFA07050257,Q27103147,11966177,10140170,
WJ000508,(S)-3-Hydroxy-13-methyltetradecanoyl-CoA,C36H64N7O18P3S,"InChI=1S/C36H64N7O18P3S/c1-23(2)12-10-8-6-5-7-9-11-13-24(44)18-27(46)65-17-16-38-26(45)14-15-39-34(49)31(48)36(3,4)20-58-64(55,56)61-63(53,54)57-19-25-30(60-62(50,51)52)29(47)35(59-25)43-22-42-28-32(37)40-21-41-33(28)43/h21-25,29-31,35,44,47-48H,5-20H2,1-4H3,(H,38,45)(H,39,49)(H,53,54)(H,55,56)(H2,37,40,41)(H2,50,51,52)/t24-,25+,29+,30+,31-,35+/m0/s1",LWXQJJYOZWNPDR-YHPPSIBPSA-N,[H][C@](O)(CCCCCCCCCC(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000509,Myristoyl-CoA,C35H62N7O17P3S,"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)/t24-,28-,29-,30+,34-/m1/s1",DUAFKXOFBZQTQE-QSGBVPJFSA-N,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12,CHEBI:15532,,,,,,,
WJ000510,trans-tetradec-2-enoyl-CoA,C35H60N7O17P3S,"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",MBCVYCOKMMMWLX-YYMFEJJQSA-N,CCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:10734;CHEBI:27721,C05273,,LMFA07050396,Q27103282,11966172,10140165,
WJ000511,trans-13-methyltetradec-2-enoyl-CoA,C36H62N7O17P3S,"InChI=1S/C36H62N7O17P3S/c1-24(2)14-12-10-8-6-5-7-9-11-13-15-27(45)64-19-18-38-26(44)16-17-39-34(48)31(47)36(3,4)21-57-63(54,55)60-62(52,53)56-20-25-30(59-61(49,50)51)29(46)35(58-25)43-23-42-28-32(37)40-22-41-33(28)43/h13,15,22-25,29-31,35,46-47H,5-12,14,16-21H2,1-4H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/b15-13+/t25-,29-,30-,31+,35-/m0/s1",BRWSZHQQYCLCAA-KXYSCUCESA-N,[H]\C(CCCCCCCCCC(C)C)=C(\[H])C(=O)SCCNC(=O)CCNC(=O)[C@@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000512,(5Z)-Tetradecenoyl-CoA,C35H60N7O17P3S,"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",MRVDZOHJMLTLHJ-STFCKWFXSA-N,CCCCCCCC\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:70712,,HMDB62426;HMDB0062426,LMFA07050305,Q27139040,70679011,28533286,
WJ000513,3-Oxo-5Z-Tetradecenoyl-CoA,C35H58N7O18P3S,"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",KADPWMJVUVWQNK-STFCKWFXSA-N,CCCCCCCC\C=C/CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:88080,,,,Q27160036,90659296,,
WJ000514,(S)-3-Hydroxy-5Z-Tetradecenoyl-CoA,C35H60N7O18P3S,"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",KJJPUIFALMAQPF-SUAKZGBESA-N,CCCCCCCC\C=C/C[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:88072,,,,Q27160035,91828295,,
WJ000515,(14Z)-Tetradecenoyl-CoA,C35H60N7O17P3S,"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)/b10-9-/t24-,28-,29-,30+,34-/m1/s1",JPIHVKICKVPFFY-TWAFKMGKSA-N,[H]\C(CCCCCC)=C(/[H])CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000516,3-Oxo-7Z-Tetradecenoyl-CoA,C35H58N7O18P3S,"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)/b10-9-/t24-,28-,29-,30+,34-/m1/s1",BEPLLRGJVXAEJI-TWAFKMGKSA-N,[H]\C(CCCCCC)=C(/[H])CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000517,(S)-3-Hydroxy-7Z-Tetradecenoyl-CoA,C35H60N7O18P3S,"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)/b10-9-/t23-,24+,28+,29+,30-,34+/m0/s1",WGCARZJTIJIWSL-JCJYIPITSA-N,[H]\C(CCCCCC)=C(/[H])CCC[C@]([H])(O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000518,"(2E,5Z)-Tetradecadienoyl-CoA",C35H58N7O17P3S,"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",JVEFYXPCQBMMAA-ZMLWRGBOSA-N,CCCCCCCC\C=C/C\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:88067,,,,Q27160034,25244135,,
WJ000519,"(2E,7Z)-Tetradecadienoyl-CoA",C35H58N7O17P3S,"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)/b10-9-,15-14+/t24-,28-,29-,30+,34-/m1/s1",MWKSUVQQMPJTPP-DTPVMWFYSA-N,[H]\C(CCCCCC)=C(/[H])CCC\C([H])=C(/[H])C(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000520,"5Z,8Z-Tetradecadienoyl-CoA",C35H58N7O17P3S,"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)/b9-8-,12-11-/t24-,28-,29-,30+,34-/m1/s1",MJBZUCVXTFUVFY-PHQNXBNMSA-N,CCCCC\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:70713,,,LMFA07050296,Q27139041,70679008,28533287,
WJ000521,"3-Oxo-5Z,8Z-Tetradecadienoyl-CoA",C35H56N7O18P3S,"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)/b9-8-,12-11-/t24-,28-,29-,30+,34-/m1/s1",XOCYFFRISHLAMW-PHQNXBNMSA-N,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000522,"(S)-3-Hydroxy-5Z,8Z-Tetradecadienoyl-CoA",C35H58N7O18P3S,"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)/b9-8-,12-11-/t23-,24+,28+,29+,30-,34+/m0/s1",SDWYDRDZISFNSH-ZYWVLTFSSA-N,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C[C@]([H])(O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000523,"2E,5Z,8Z-Tetradecatrienoyl-CoA",C35H56N7O17P3S,"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)/b9-8-,12-11-,15-14+/t24-,28-,29-,30+,34-/m1/s1",JSDPYDDAJCNOIE-VFRDANQJSA-N,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(/[H])C(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000524,15-methylhexadecanoyl-CoA,C38H68N7O17P3S,"InChI=1/C38H68N7O17P3S/c1-26(2)16-14-12-10-8-6-5-7-9-11-13-15-17-29(47)66-21-20-40-28(46)18-19-41-36(50)33(49)38(3,4)23-59-65(56,57)62-64(54,55)58-22-27-32(61-63(51,52)53)31(48)37(60-27)45-25-44-30-34(39)42-24-43-35(30)45/h24-27,31-33,37,48-49H,5-23H2,1-4H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t27-,31-,32-,33+,37-/s2",AZUNRVWJJVHLJB-KMQDIOQZSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000525,3-oxopalmitoyl-CoA,C37H64N7O18P3S,"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)/t26-,30-,31-,32+,36-/m1/s1",NQMPLXPCRJOSHL-BBECNAHFSA-N,CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15491;CHEBI:1647,C05259,,LMFA07050250,Q27089474,169621,148337,
WJ000526,3-Oxo-15-methylhexadecanoyl-CoA,C38H66N7O18P3S,"InChI=1/C38H66N7O18P3S/c1-25(2)14-12-10-8-6-5-7-9-11-13-15-26(46)20-29(48)67-19-18-40-28(47)16-17-41-36(51)33(50)38(3,4)22-60-66(57,58)63-65(55,56)59-21-27-32(62-64(52,53)54)31(49)37(61-27)45-24-44-30-34(39)42-23-43-35(30)45/h23-25,27,31-33,37,49-50H,5-22H2,1-4H3,(H,40,47)(H,41,51)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/t27-,31-,32-,33+,37-/s2",RNYKJLHCAKTRHT-KMQDIOQZSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000527,(S)-3-hydroxypalmitoyl-CoA,C37H66N7O18P3S,"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)/t25-,26+,30+,31+,32-,36+/m0/s1",DEHLMTDDPWDRDR-BCIKBWLNSA-N,CCCCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:27402,C05258,HMDB03932,LMFA07050161,Q27103110,11966179,10140172,
WJ000528,(S)-3-Hydroxy-15-methylhexadecanoyl-CoA,C38H68N7O18P3S,"InChI=1/C38H68N7O18P3S/c1-25(2)14-12-10-8-6-5-7-9-11-13-15-26(46)20-29(48)67-19-18-40-28(47)16-17-41-36(51)33(50)38(3,4)22-60-66(57,58)63-65(55,56)59-21-27-32(62-64(52,53)54)31(49)37(61-27)45-24-44-30-34(39)42-23-43-35(30)45/h23-27,31-33,37,46,49-50H,5-22H2,1-4H3,(H,40,47)(H,41,51)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/t26-,27+,31+,32+,33-,37+/s2",UXWUSXRGWGOULX-LEUMEZKXSA-N,[H][C@](O)(CCCCCCCCCCCC(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000529,palmitoyl-CoA,C37H66N7O17P3S,"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)/t26-,30-,31-,32+,36-/m1/s1",MNBKLUUYKPBKDU-BBECNAHFSA-N,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15525,C00154,HMDB0059623;HMDB01338;HMDB59623,LMFA07050360,Q28797916,644109,559149,
WJ000530,(E)-hexadec-2-enoyl-CoA,C37H64N7O17P3S,"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)/b17-16+/t26-,30-,31-,32+,36-/m1/s1",JUPAQFRKPHPXLD-MSHHSVQMSA-N,CCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:28935,C05272,,LMFA07050144,Q27103972,25271599,26333160,
WJ000531,trans-15-methylhexadec-2-enoyl-CoA,C38H66N7O17P3S,"InChI=1/C38H66N7O17P3S/c1-26(2)16-14-12-10-8-6-5-7-9-11-13-15-17-29(47)66-21-20-40-28(46)18-19-41-36(50)33(49)38(3,4)23-59-65(56,57)62-64(54,55)58-22-27-32(61-63(51,52)53)31(48)37(60-27)45-25-44-30-34(39)42-24-43-35(30)45/h15,17,24-27,31-33,37,48-49H,5-14,16,18-23H2,1-4H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/b17-15+/t27-,31-,32-,33+,37-/s2",VBRJJZPJXKSQLS-SAJWEFFBSA-N,[H]\C(CCCCCCCCCCCC(C)C)=C(\[H])C(=O)SCCNC(=O)CCNC(=O)[C@@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000532,(7Z)-Hexadecenoyl-CoA,C37H64N7O17P3S,"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",MJWMOLDKMBISOB-YDGGZUKGSA-N,CCCCCCCC\C=C/CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:88008,,,,Q27160017,91828289,,
WJ000533,3-Oxo-7Z-Hexadecenoyl-CoA,C37H62N7O18P3S,"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",BUCIFQOXNYHEOO-YDGGZUKGSA-N,CCCCCCCC\C=C/CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:88090,,,,Q27160042,91828304,,
WJ000534,(S)-3-Hydroxy-7Z-Hexadecenoyl-CoA,C37H64N7O18P3S,"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+/m0/s1",KZLHPKRIEDLQGG-SQUPIXLDSA-N,CCCCCCCC\C=C/CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:88087,,,,Q27160041,91828302,,
WJ000535,palmitoleoyl-CoA,C37H64N7O17P3S,"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)/b10-9-/t26-,30-,31-,32+,36-/m1/s1",QBYOCCWNZAOZTL-MDMKAECGSA-N,CCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:53152,,HMDB06532,LMFA07050359,Q27123981,25244394,23107132,
WJ000536,3-Oxo-9Z-Hexadecenoyl-CoA,C37H62N7O18P3S,"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)/b10-9-/t26-,30-,31-,32+,36-/m1/s1",JDNARGYWMLYADA-MDMKAECGSA-N,[H]\C(CCCCCC)=C(/[H])CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000537,(S)-3-Hydroxy-9Z-Hexadecenoyl-CoA,C37H64N7O18P3S,"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)/b10-9-/t25-,26+,30+,31+,32-,36+/m0/s1",ZIRSQPAPHGZDIL-VSCXGISKSA-N,[H]\C(CCCCCC)=C(/[H])CCCCC[C@]([H])(O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000538,"(2E,7Z)-Hexadecadienoyl-CoA",C37H62N7O17P3S,"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",YQARRKBGBKPBCX-DVZFGLDUSA-N,CCCCCCCC\C=C/CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:88086,,,,Q27160040,91828300,,
WJ000539,"(2E,9Z)-Hexadecadienoyl-CoA",C37H62N7O17P3S,"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)/b10-9-,17-16+/t26-,30-,31-,32+,36-/m1/s1",BEQWCBBSKHMRCA-HENMZMGOSA-N,CCCCCC\C=C/CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:78178,,,,Q27147671,86289269,31150491,
WJ000540,"(7Z,10Z)-Hexadecadienoyl-CoA",C37H62N7O17P3S,"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)/b9-8-,12-11-/t26-,30-,31-,32+,36-/m1/s1",OKKMIEAMIHILAM-BBQXBXLMSA-N,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000541,"3-Oxo-7Z,10Z-Hexadecadienoyl-CoA",C37H60N7O18P3S,"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)/b9-8-,12-11-/t26-,30-,31-,32+,36-/m1/s1",KNNRGBNFOIBVKN-BBQXBXLMSA-N,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000542,"(S)-3-Hydroxy-7Z,10Z-Hexadecadienoyl-CoA",C37H62N7O18P3S,"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)/b9-8-,12-11-/t25-,26+,30+,31+,32-,36+/m0/s1",FODZOBVFWXSQFM-WLGIVQMXSA-N,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCC[C@]([H])(O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000543,"(2E,7Z,10Z)-Hexadecatrienoyl-CoA",C37H60N7O17P3S,"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)/b9-8-,12-11-,17-16+/t26-,30-,31-,32+,36-/m1/s1",WJHWJZSGWIEAAU-YLEUZIDYSA-N,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCC\C([H])=C(/[H])C(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000544,17-methyloctadecanoyl-CoA,C40H72N7O17P3S,"InChI=1/C40H72N7O17P3S/c1-28(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-31(49)68-23-22-42-30(48)20-21-43-38(52)35(51)40(3,4)25-61-67(58,59)64-66(56,57)60-24-29-34(63-65(53,54)55)33(50)39(62-29)47-27-46-32-36(41)44-26-45-37(32)47/h26-29,33-35,39,50-51H,5-25H2,1-4H3,(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-/s2",AXKMONXYDZCRKO-MJVJSIPZSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000545,3-oxooctadecanoyl-CoA,C39H68N7O18P3S,"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)/t28-,32-,33-,34+,38-/m1/s1",LGOGWHDPDVAUNY-LFZQUHGESA-N,CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:50571,C16216,HMDB06498,LMFA07050248,Q27122119,22833664,21865760,
WJ000546,3-Oxo-17-methyloctadecanoyl-CoA,C40H70N7O18P3S,"InChI=1/C40H70N7O18P3S/c1-27(2)16-14-12-10-8-6-5-7-9-11-13-15-17-28(48)22-31(50)69-21-20-42-30(49)18-19-43-38(53)35(52)40(3,4)24-62-68(59,60)65-67(57,58)61-23-29-34(64-66(54,55)56)33(51)39(63-29)47-26-46-32-36(41)44-25-45-37(32)47/h25-27,29,33-35,39,51-52H,5-24H2,1-4H3,(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-/s2",VDWTVJZJJZRUJG-MJVJSIPZSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000547,(S)-3-hydroxyoctadecanoyl-CoA,C39H70N7O18P3S,"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)/t27-,28+,32+,33+,34-,38+/m0/s1",WZMAIEGYXCOYSH-SFKGBVSGSA-N,CCCCCCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:50577,,,LMFA07050159,Q27122126,24906334,21865762,
WJ000548,(S)-3-Hydroxy-17-methyloctadecanoyl-CoA,C40H72N7O18P3S,"InChI=1/C40H72N7O18P3S/c1-27(2)16-14-12-10-8-6-5-7-9-11-13-15-17-28(48)22-31(50)69-21-20-42-30(49)18-19-43-38(53)35(52)40(3,4)24-62-68(59,60)65-67(57,58)61-23-29-34(64-66(54,55)56)33(51)39(63-29)47-26-46-32-36(41)44-25-45-37(32)47/h25-29,33-35,39,48,51-52H,5-24H2,1-4H3,(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+/s2",WOXOTWGGWCTWQY-BFNXGVQDSA-N,[H][C@](O)(CCCCCCCCCCCCCC(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000549,stearoyl-CoA,C39H70N7O17P3S,"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)/t28-,32-,33-,34+,38-/m1/s1",SIARJEKBADXQJG-LFZQUHGESA-N,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15541,C00412,HMDB01114,LMFA07050369,Q15427851,94140,84957,
WJ000550,"(3R,11Z)-3-hydroxyoctadecenoyl-CoA",C39H68N7O18P3S,"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)/b10-9-/t27-,28-,32-,33-,34+,38-/m1/s1",SCDXBWNPJAGEEK-ORSZBQJQSA-N,CCCCCC\C=C/CCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12,CHEBI:76900,,,,Q27146405,72551558,30786103,
WJ000551,cis-Vaccenoyl-CoA,C39H68N7O17P3S,"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",HEJOXXLSCAQQGQ-SAIINBSPSA-N,CCCCCC\C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:75354,,HMDB06521,LMFA07050003,Q27145240,71668356,29368530,
WJ000552,3-Oxo-11Z-Octadecenoyl-CoA,C39H66N7O18P3S,"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)/b10-9-/t28-,32-,33-,34+,38-/m1/s1",OUROWZUTGFHRJE-SAIINBSPSA-N,CCCCCC\C=C/CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:76896,,,,Q27146403,72551572,30786102,
WJ000553,(S)-3-Hydroxy-11Z-Octadecenoyl-CoA,C39H68N7O18P3S,"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)/b10-9-/t27-,28+,32+,33+,34-,38+/m0/s1",SCDXBWNPJAGEEK-KBOAXVDLSA-N,[H]\C(CCCCCC)=C(/[H])CCCCCCC[C@]([H])(O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000554,trans-2-octadecenoyl-CoA,C39H68N7O17P3S,"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)/b19-18+/t28-,32-,33-,34+,38-/m1/s1",NBCCUIHOHUKBMK-ZDDAFBBHSA-N,CCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:50570,C16218,HMDB0062633;HMDB62633,LMFA07050385,Q27122118,24906330,21865759,
WJ000555,trans-17-methyloctadec-2-enoyl-CoA,C40H70N7O17P3S,"InChI=1/C40H70N7O17P3S/c1-28(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-31(49)68-23-22-42-30(48)20-21-43-38(52)35(51)40(3,4)25-61-67(58,59)64-66(56,57)60-24-29-34(63-65(53,54)55)33(50)39(62-29)47-27-46-32-36(41)44-26-45-37(32)47/h17,19,26-29,33-35,39,50-51H,5-16,18,20-25H2,1-4H3,(H,42,48)(H,43,52)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/b19-17+/t29-,33-,34-,35+,39-/s2",XIRFRLXMKPYSCG-YYXAZNKVSA-N,[H]\C(CCCCCCCCCCCCCC(C)C)=C(\[H])C(=O)SCCNC(=O)CCNC(=O)[C@@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000556,oleoyl-CoA,C39H68N7O17P3S,"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)/b12-11-/t28-,32-,33-,34+,38-/m1/s1",XDUHQPOXLUAVEE-BPMMELMSSA-N,CCCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:7743;CHEBI:15534,C00510,HMDB01322,LMFA07050356,Q27088172,5497111,4593689,
WJ000557,3-Oxo-Oleoyl-CoA,C39H66N7O18P3S,"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)/b12-11-/t28-,32-,33-,34+,38-/m1/s1",AVEYYKDEKGJVBU-BPMMELMSSA-N,CCCCCCCC\C=C/CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:88007,,,,Q27160016,91828287,,
WJ000558,(S)-3-Hydroxyoleoyl-CoA,C39H68N7O18P3S,"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)/b12-11-/t27-,28+,32+,33+,34-,38+/m0/s1",LHAYYTCFPMUQNR-DFXYPYGHSA-N,CCCCCCCC\C=C/CCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:87781,,,,Q27159928,91828285,,
WJ000559,"(2E,11Z)-octadecadienoyl-CoA",C39H66N7O17P3S,"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)/b10-9-,19-18+/t28-,32-,33-,34+,38-/m1/s1",OPMPWWFMNYWBGF-PKYBCSRXSA-N,CCCCCC\C=C/CCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:76904,,,,Q27146407,72551577,30786104,
WJ000560,"(2E,9Z)-octadecadienoyl-CoA",C39H66N7O17P3S,"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)/b12-11-,19-18+/t28-,32-,33-,34+,38-/m1/s1",REOYMONHGHULEY-PPSVNWDXSA-N,CCCCCCCC\C=C/CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:78187,,,,Q27147677,86289274,31150494,
WJ000561,linoleoyl-CoA,C39H66N7O17P3S,"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)/b9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1",YECLLIMZHNYFCK-RRNJGNTNSA-N,CCCCC\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:6480;CHEBI:15530,C02050,HMDB01064,LMFA07050343,Q27098082,5497112,4593690,DTXSID10420558
WJ000562,"3-Oxo-(9Z,12Z)-Octadecadienoyl-CoA",C39H64N7O18P3S,"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)/b9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1",XROJENOQBXZHJA-RRNJGNTNSA-N,CCCCC\C=C/C\C=C/CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:74090,,,LMFA07050136,Q27144404,71581018,29368173,
WJ000563,"(S)-3-Hydroxy-9Z,12Z-Octadecadienoyl-CoA",C39H66N7O18P3S,"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)/b9-8-,12-11-/t27-,28+,32+,33+,34-,38+/m0/s1",ICMPOMMDSLXBOC-LLYFYEKVSA-N,[H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCC[C@]([H])(O)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000564,"(2E,9Z,12Z)-octadecatrienoyl-CoA",C39H64N7O17P3S,"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)/b9-8-,12-11-,19-18+/t28-,32-,33-,34+,38-/m1/s1",XNZJYLZAYIJRPB-KMRZWPGYSA-N,CCCCC\C=C/C\C=C/CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:78190,,,,Q27147678,86289276,31150495,
WJ000565,gamma-linolenoyl-CoA,C39H64N7O17P3S,"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)/b9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1",XZQYPTBYQYZGRU-FHDVEODPSA-N,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15508;CHEBI:10574,C03035,HMDB0006368;HMDB06368,LMFA07050322,Q27089490,11966132,10140126,
WJ000566,alpha-linolenoyl-CoA,C39H64N7O17P3S,"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)/b6-5-,9-8-,12-11-/t28-,32-,33-,34+,38-/m1/s1",OMKFKBGZHNJNEX-PQBHNYBOSA-N,CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:51985,C16162,HMDB06290,LMFA07050286,Q27123069,25164091,21865968,
WJ000567,19-methyleicosanoyl-CoA,C42H76N7O17P3S,"InChI=1/C42H76N7O17P3S/c1-30(2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-33(51)70-25-24-44-32(50)22-23-45-40(54)37(53)42(3,4)27-63-69(60,61)66-68(58,59)62-26-31-36(65-67(55,56)57)35(52)41(64-31)49-29-48-34-38(43)46-28-47-39(34)49/h28-31,35-37,41,52-53H,5-27H2,1-4H3,(H,44,50)(H,45,54)(H,58,59)(H,60,61)(H2,43,46,47)(H2,55,56,57)/t31-,35-,36-,37+,41-/s2",DBCCNRMQAFVZMK-IMYMQPGOSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000568,3-oxoicosanoyl-CoA,C41H72N7O18P3S,"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)/t30-,34-,35-,36+,40-/m1/s1",FYBVHNZJDVUVLJ-IBYUJNRCSA-N,CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:52327,,HMDB0060190;HMDB60190,LMFA07050243,Q27123379,25229571,21866048,
WJ000569,3-Oxo-19-methyleicosanoyl-CoA,C42H74N7O18P3S,"InChI=1/C42H74N7O18P3S/c1-29(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-30(50)24-33(52)71-23-22-44-32(51)20-21-45-40(55)37(54)42(3,4)26-64-70(61,62)67-69(59,60)63-25-31-36(66-68(56,57)58)35(53)41(65-31)49-28-48-34-38(43)46-27-47-39(34)49/h27-29,31,35-37,41,53-54H,5-26H2,1-4H3,(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-/s2",LZFMVYGOMANTOM-IMYMQPGOSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000570,(R)-3-hydroxybehenoyl-CoA,C43H78N7O18P3S,"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)/t31-,32-,36-,37-,38+,42-/m1/s1",VNJQSRVXTRJVAZ-ZUIQSSPPSA-N,CCCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:76459,,HMDB0060216;HMDB60216,,Q27146007,72193818,30785935,
WJ000571,(S)-3-Hydroxy-19-methyleicosanoyl-CoA,C42H76N7O18P3S,"InChI=1/C42H76N7O18P3S/c1-29(2)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-30(50)24-33(52)71-23-22-44-32(51)20-21-45-40(55)37(54)42(3,4)26-64-70(61,62)67-69(59,60)63-25-31-36(66-68(56,57)58)35(53)41(65-31)49-28-48-34-38(43)46-27-47-39(34)49/h27-31,35-37,41,50,53-54H,5-26H2,1-4H3,(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+/s2",OMWRTMDQHUWWCD-VSHWNQMOSA-N,[H][C@](O)(CCCCCCCCCCCCCCCC(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000572,icosanoyl-CoA,C41H74N7O17P3S,"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)/t30-,34-,35-,36+,40-/m1/s1",JYLSVNBJLYCSSW-IBYUJNRCSA-N,CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15527,,HMDB04258,LMFA07050006;LMFA07050329,Q27098079,3081439,2339044,
WJ000573,trans-2-icosenoyl-CoA,C41H72N7O17P3S,"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)/b21-20+/t30-,34-,35-,36+,40-/m1/s1",ROOFWBIMBMJYGA-DSAUMYHJSA-N,CCCCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:75061,,,,Q27145100,71627316,29368479,
WJ000574,trans-19-methyleicos-2-enoyl-CoA,C42H74N7O17P3S,"InChI=1/C42H74N7O17P3S/c1-30(2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-33(51)70-25-24-44-32(50)22-23-45-40(54)37(53)42(3,4)27-63-69(60,61)66-68(58,59)62-26-31-36(65-67(55,56)57)35(52)41(64-31)49-29-48-34-38(43)46-28-47-39(34)49/h19,21,28-31,35-37,41,52-53H,5-18,20,22-27H2,1-4H3,(H,44,50)(H,45,54)(H,58,59)(H,60,61)(H2,43,46,47)(H2,55,56,57)/b21-19+/t31-,35-,36-,37+,41-/s2",ZBXRMEZNTUFVLV-AXNULRMBSA-N,[H]\C(CCCCCCCCCCCCCCCC(C)C)=C(\[H])C(=O)SCCNC(=O)CCNC(=O)[C@@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000575,"(8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA",C41H66N7O18P3S,"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)/b9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1",DJFXNRBQUUFIOS-DDQUOPDJSA-N,CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12,CHEBI:71539,,,LMFA07050132,Q27139695,70698344,28533645,
WJ000576,"(3R,8Z,11Z,14Z)-3-hydroxyicosatrienoyl-CoA",C41H68N7O18P3S,"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)/b9-8-,12-11-,15-14-/t29-,30-,34-,35-,36+,40-/m1/s1",GFVFSXUAKLZOGC-NULWUIHISA-N,CCCCC\C=C/C\C=C/C\C=C/CCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12,CHEBI:76536,,,,Q27146075,72551501,30785986,
WJ000577,"(2E,8Z,11Z,14Z)-icosatetraenoyl-CoA",C41H66N7O17P3S,"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)/b9-8-,12-11-,15-14-,21-20+/t30-,34-,35-,36+,40-/m1/s1",WQDZFNIBNFNRLF-XBLGNFGOSA-N,CCCCC\C=C/C\C=C/C\C=C/CCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12,CHEBI:76538,,,,Q27146079,72193768,30785987,
WJ000578,arachidonoyl-CoA,C41H66N7O17P3S,"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)/b9-8-,12-11-,15-14-,18-17-/t30-,34-,35-,36+,40-/m1/s1",JDEPVTUUCBFJIW-YQVDHACTSA-N,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15514,C02249,HMDB06523,LMFA07050288,Q27089496,5497113,4593691,
WJ000579,"(8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA",C41H66N7O17P3S,"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)/b6-5-,9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1",PLHICYKOPITJJT-QWOXCLFSSA-N,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:63542,,,LMFA07050047;LMFA07050134,Q27132678,56928013,26606356,
WJ000580,21-methyldocosanoyl-CoA,C44H80N7O17P3S,"InChI=1/C44H80N7O17P3S/c1-32(2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-35(53)72-27-26-46-34(52)24-25-47-42(56)39(55)44(3,4)29-65-71(62,63)68-70(60,61)64-28-33-38(67-69(57,58)59)37(54)43(66-33)51-31-50-36-40(45)48-30-49-41(36)51/h30-33,37-39,43,54-55H,5-29H2,1-4H3,(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-/s2",GCDXAAORBZHAJS-KSRYUPMWSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000581,3-oxodocosanoyl-CoA,C43H76N7O18P3S,"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)/t32-,36-,37-,38+,42-/m1/s1",RKCOGGUHKPTOQJ-GNSUAQHMSA-N,CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:52328,,HMDB0060215;HMDB60215,LMFA07050240,Q27123380,25229584,21866049,
WJ000582,3-Oxo-21-methyldocosanoyl-CoA,C44H78N7O18P3S,"InChI=1/C44H78N7O18P3S/c1-31(2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-32(52)26-35(54)73-25-24-46-34(53)22-23-47-42(57)39(56)44(3,4)28-66-72(63,64)69-71(61,62)65-27-33-38(68-70(58,59)60)37(55)43(67-33)51-30-50-36-40(45)48-29-49-41(36)51/h29-31,33,37-39,43,55-56H,5-28H2,1-4H3,(H,46,53)(H,47,57)(H,61,62)(H,63,64)(H2,45,48,49)(H2,58,59,60)/t33-,37-,38-,39+,43-/s2",ZYDPMZFNTKIQSM-KSRYUPMWSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000583,(S)-3-Hydroxy-21-methyldocosanoyl-CoA,C44H80N7O18P3S,"InChI=1/C44H80N7O18P3S/c1-31(2)20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-32(52)26-35(54)73-25-24-46-34(53)22-23-47-42(57)39(56)44(3,4)28-66-72(63,64)69-71(61,62)65-27-33-38(68-70(58,59)60)37(55)43(67-33)51-30-50-36-40(45)48-29-49-41(36)51/h29-33,37-39,43,52,55-56H,5-28H2,1-4H3,(H,46,53)(H,47,57)(H,61,62)(H,63,64)(H2,45,48,49)(H2,58,59,60)/t32-,33+,37+,38+,39-,43+/s2",MCYNHSDWEHGCTK-MJODBCOPSA-N,[H][C@](O)(CCCCCCCCCCCCCCCCCC(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000584,behenoyl-CoA,C43H78N7O17P3S,"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)/t32-,36-,37-,38+,42-/m1/s1",NDDZLVOCGALPLR-GNSUAQHMSA-N,CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:65088,C16528,,LMFA07050289,Q27133642,168166,147098,DTXSID60179069
WJ000585,trans-2-docosenoyl-CoA,C43H76N7O17P3S,"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)/b23-22+/t32-,36-,37-,38+,42-/m1/s1",KRTIFNFQCJTGMV-DYAVHEMFSA-N,CCCCCCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:75064,,,,Q27145103,71627307,29368480,
WJ000586,trans-21-methyldocos-2-enoyl-CoA,C44H78N7O17P3S,"InChI=1/C44H78N7O17P3S/c1-32(2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-35(53)72-27-26-46-34(52)24-25-47-42(56)39(55)44(3,4)29-65-71(62,63)68-70(60,61)64-28-33-38(67-69(57,58)59)37(54)43(66-33)51-31-50-36-40(45)48-30-49-41(36)51/h21,23,30-33,37-39,43,54-55H,5-20,22,24-29H2,1-4H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59)/b23-21+/t33-,37-,38-,39+,43-/s2",XCLXNHQDMLWKIG-BKBSVLFOSA-N,[H]\C(CCCCCCCCCCCCCCCCCC(C)C)=C(\[H])C(=O)SCCNC(=O)CCNC(=O)[C@@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000587,23-methyltetracosanoyl-CoA,C46H84N7O17P3S,"InChI=1/C46H84N7O17P3S/c1-34(2)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-37(55)74-29-28-48-36(54)26-27-49-44(58)41(57)46(3,4)31-67-73(64,65)70-72(62,63)66-30-35-40(69-71(59,60)61)39(56)45(68-35)53-33-52-38-42(47)50-32-51-43(38)53/h32-35,39-41,45,56-57H,5-31H2,1-4H3,(H,48,54)(H,49,58)(H,62,63)(H,64,65)(H2,47,50,51)(H2,59,60,61)/t35-,39-,40-,41+,45-/s2",VWMVWXLXCQKVQU-KAMODKEKSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000588,3-oxotetracosanoyl-CoA,C45H80N7O18P3S,"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)/t34-,38-,39-,40+,44-/m1/s1",JJSJTIWFKNSCHC-JBKAVQFISA-N,CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:52329,,HMDB0060238;HMDB60238,LMFA07050255,Q27123381,25229583,21866050,
WJ000589,3-Oxo-23-methyltetracosanoyl-CoA,C46H82N7O18P3S,"InChI=1/C46H82N7O18P3S/c1-33(2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-34(54)28-37(56)75-27-26-48-36(55)24-25-49-44(59)41(58)46(3,4)30-68-74(65,66)71-73(63,64)67-29-35-40(70-72(60,61)62)39(57)45(69-35)53-32-52-38-42(47)50-31-51-43(38)53/h31-33,35,39-41,45,57-58H,5-30H2,1-4H3,(H,48,55)(H,49,59)(H,63,64)(H,65,66)(H2,47,50,51)(H2,60,61,62)/t35-,39-,40-,41+,45-/s2",XDIQWMWAEFSRMT-KAMODKEKSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000590,3-hydroxytetracosanoyl-CoA,C45H82N7O18P3S,"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)/t33?,34-,38-,39-,40+,44-/m1/s1",QIBKBVRVOFIKLN-SBPVGHMXSA-N,CCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:52326,,,LMFA07050228,Q27123378,25229585,21866047,
WJ000591,(S)-3-Hydroxy-23-methyltetracosanoyl-CoA,C46H84N7O18P3S,"InChI=1/C46H84N7O18P3S/c1-33(2)22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-34(54)28-37(56)75-27-26-48-36(55)24-25-49-44(59)41(58)46(3,4)30-68-74(65,66)71-73(63,64)67-29-35-40(70-72(60,61)62)39(57)45(69-35)53-32-52-38-42(47)50-31-51-43(38)53/h31-35,39-41,45,54,57-58H,5-30H2,1-4H3,(H,48,55)(H,49,59)(H,63,64)(H,65,66)(H2,47,50,51)(H2,60,61,62)/t34-,35+,39+,40+,41-,45+/s2",UCJZSOYFEYIZPR-JAHFUTQSSA-N,[H][C@](O)(CCCCCCCCCCCCCCCCCCCC(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000592,tetracosanoyl-CoA,C45H82N7O17P3S,"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)/t34-,38-,39-,40+,44-/m1/s1",MOYMQYZWIUKGGY-JBKAVQFISA-N,CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:52974,C16529,HMDB06526;HMDB0060239;HMDB60239,LMFA07050372,Q27123825,3082227,2339687,DTXSID20179040
WJ000593,trans-2-tetracosenoyl-CoA,C45H80N7O17P3S,"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)/b25-24+/t34-,38-,39-,40+,44-/m1/s1",UVJKZCSQLMWPMV-LQJAWXTISA-N,CCCCCCCCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:75068,,HMDB62231,,Q27145104,71627273,29368481,
WJ000594,trans-23-methyltetracos-2-enoyl-CoA,C46H82N7O17P3S,"InChI=1/C46H82N7O17P3S/c1-34(2)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-37(55)74-29-28-48-36(54)26-27-49-44(58)41(57)46(3,4)31-67-73(64,65)70-72(62,63)66-30-35-40(69-71(59,60)61)39(56)45(68-35)53-33-52-38-42(47)50-32-51-43(38)53/h23,25,32-35,39-41,45,56-57H,5-22,24,26-31H2,1-4H3,(H,48,54)(H,49,58)(H,62,63)(H,64,65)(H2,47,50,51)(H2,59,60,61)/b25-23+/t35-,39-,40-,41+,45-/s2",UAHNPWXVYIWTOJ-FJRMDEJUSA-N,[H]\C(CCCCCCCCCCCCCCCCCCCC(C)C)=C(\[H])C(=O)SCCNC(=O)CCNC(=O)[C@@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000595,25-methyhexacosanoyl-CoA,C48H88N7O17P3S,"InChI=1/C48H88N7O17P3S/c1-36(2)26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-39(57)76-31-30-50-38(56)28-29-51-46(60)43(59)48(3,4)33-69-75(66,67)72-74(64,65)68-32-37-42(71-73(61,62)63)41(58)47(70-37)55-35-54-40-44(49)52-34-53-45(40)55/h34-37,41-43,47,58-59H,5-33H2,1-4H3,(H,50,56)(H,51,60)(H,64,65)(H,66,67)(H2,49,52,53)(H2,61,62,63)/t37-,41-,42-,43+,47-/s2",BFTQMMRRPRTSMJ-ZRUHAAKZSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000596,3-Oxo-hexacoanoyl-CoA,C47H84N7O18P3S,"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",VOMUIFOBQMYJPJ-CPIGOPAHSA-N,CCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,,,HMDB0060241;HMDB60241,LMFA07050241,Q27104802,25271602,26333175,
WJ000597,3-oxohexacosanoyl-CoA,C47H84N7O18P3S,"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",VOMUIFOBQMYJPJ-CPIGOPAHSA-N,CCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:52977,,HMDB0060241;HMDB60241,LMFA07050241,Q27104802,25271602,26333175,
WJ000598,3-Oxo-25-methylhexacosanoyl-CoA,C48H86N7O18P3S,"InChI=1/C48H86N7O18P3S/c1-35(2)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-36(56)30-39(58)77-29-28-50-38(57)26-27-51-46(61)43(60)48(3,4)32-70-76(67,68)73-75(65,66)69-31-37-42(72-74(62,63)64)41(59)47(71-37)55-34-54-40-44(49)52-33-53-45(40)55/h33-35,37,41-43,47,59-60H,5-32H2,1-4H3,(H,50,57)(H,51,61)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/t37-,41-,42-,43+,47-/s2",OXAQWBMMDCGESI-ZRUHAAKZSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000599,(R)-3-hydroxy-hexacoanoyl-CoA,C47H86N7O18P3S,"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",GBMJOTOUUWGTIA-CSLACTSSSA-N,CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12,,,,,Q27146014,72193760,30785941,
WJ000600,(S)-3-hydroxyhexacosanoyl-CoA,C47H86N7O18P3S,"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+/m0/s1",GBMJOTOUUWGTIA-FUMULLQGSA-N,CCCCCCCCCCCCCCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:52976,,,LMFA07050155,Q27104801,25271601,26333174,
WJ000601,(S)-3-Hydroxy-25-methylhexacosanoyl-CoA,C48H88N7O18P3S,"InChI=1/C48H88N7O18P3S/c1-35(2)24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-36(56)30-39(58)77-29-28-50-38(57)26-27-51-46(61)43(60)48(3,4)32-70-76(67,68)73-75(65,66)69-31-37-42(72-74(62,63)64)41(59)47(71-37)55-34-54-40-44(49)52-33-53-45(40)55/h33-37,41-43,47,56,59-60H,5-32H2,1-4H3,(H,50,57)(H,51,61)(H,65,66)(H,67,68)(H2,49,52,53)(H2,62,63,64)/t36-,37+,41+,42+,43-,47+/s2",APOVHBMZACFIRI-IDPWVYCXSA-N,[H][C@](O)(CCCCCCCCCCCCCCCCCCCCCC(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000602,hexacosanoyl-CoA,C47H86N7O17P3S,"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)/t36-,40-,41-,42+,46-/m1/s1",FHLYYFPJDVYWQH-CPIGOPAHSA-N,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:52966,,HMDB06459,LMFA07050327,Q27123787,25246198,23107092,
WJ000603,trans-2-hexacosenoyl-CoA,C47H84N7O17P3S,"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-/m1/s1",GGUUXBBWTGIIGE-KESUDTCVSA-N,CCCCCCCCCCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:52975,,,LMFA07050383,Q27123828,44176398,23107094,
WJ000604,trans-25-methylhexacos-2-enoyl-CoA,C48H86N7O17P3S,"InChI=1/C48H86N7O17P3S/c1-36(2)26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-39(57)76-31-30-50-38(56)28-29-51-46(60)43(59)48(3,4)33-69-75(66,67)72-74(64,65)68-32-37-42(71-73(61,62)63)41(58)47(70-37)55-35-54-40-44(49)52-34-53-45(40)55/h25,27,34-37,41-43,47,58-59H,5-24,26,28-33H2,1-4H3,(H,50,56)(H,51,60)(H,64,65)(H,66,67)(H2,49,52,53)(H2,61,62,63)/b27-25+/t37-,41-,42-,43+,47-/s2",HSJYZQWVODVOQN-ISYBZRNSSA-N,[H]\C(CCCCCCCCCCCCCCCCCCCCCC(C)C)=C(\[H])C(=O)SCCNC(=O)CCNC(=O)[C@@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000605,27-methyloctacosanoyl-CoA,C50H92N7O17P3S,"InChI=1/C50H92N7O17P3S/c1-38(2)28-26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29-41(59)78-33-32-52-40(58)30-31-53-48(62)45(61)50(3,4)35-71-77(68,69)74-76(66,67)70-34-39-44(73-75(63,64)65)43(60)49(72-39)57-37-56-42-46(51)54-36-55-47(42)57/h36-39,43-45,49,60-61H,5-35H2,1-4H3,(H,52,58)(H,53,62)(H,66,67)(H,68,69)(H2,51,54,55)(H2,63,64,65)/t39-,43-,44-,45+,49-/s2",HFSMVIWMECASMB-JQJYUYILSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000606,3-Oxooctacosanoyl-CoA,C49H88N7O18P3S,"InChI=1S/C49H88N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37(57)32-40(59)78-31-30-51-39(58)28-29-52-47(62)44(61)49(2,3)34-71-77(68,69)74-76(66,67)70-33-38-43(73-75(63,64)65)42(60)48(72-38)56-36-55-41-45(50)53-35-54-46(41)56/h35-36,38,42-44,48,60-61H,4-34H2,1-3H3,(H,51,58)(H,52,62)(H,66,67)(H,68,69)(H2,50,53,54)(H2,63,64,65)/t38-,42-,43-,44+,48-/m1/s1",BGWXEUDZICRUBP-YLJNVRNNSA-N,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:73975,,,,Q27144302,71581095,,
WJ000607,(S)-3-Hydroxyoctacosanoyl-CoA,C49H90N7O18P3S,"InChI=1S/C49H90N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37(57)32-40(59)78-31-30-51-39(58)28-29-52-47(62)44(61)49(2,3)34-71-77(68,69)74-76(66,67)70-33-38-43(73-75(63,64)65)42(60)48(72-38)56-36-55-41-45(50)53-35-54-46(41)56/h35-38,42-44,48,57,60-61H,4-34H2,1-3H3,(H,51,58)(H,52,62)(H,66,67)(H,68,69)(H2,50,53,54)(H2,63,64,65)/t37-,38+,42+,43+,44-,48+/m0/s1",NTFBHMWCTYUQPR-MHELHXHKSA-N,[H][C@](O)(CCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000608,(S)-3-Hydroxy-27-methyloctacosanoyl-CoA,C50H92N7O18P3S,"InChI=1/C50H92N7O18P3S/c1-37(2)26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-38(58)32-41(60)79-31-30-52-40(59)28-29-53-48(63)45(62)50(3,4)34-72-78(69,70)75-77(67,68)71-33-39-44(74-76(64,65)66)43(61)49(73-39)57-36-56-42-46(51)54-35-55-47(42)57/h35-39,43-45,49,58,61-62H,5-34H2,1-4H3,(H,52,59)(H,53,63)(H,67,68)(H,69,70)(H2,51,54,55)(H2,64,65,66)/t38-,39+,43+,44+,45-,49+/s2",PSRXOVQHFWBBPD-GUQFFRKMSA-N,[H][C@](O)(CCCCCCCCCCCCCCCCCCCCCCCC(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000609,octacosanoyl-CoA,C49H90N7O17P3S,"InChI=1S/C49H90N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-40(58)77-33-32-51-39(57)30-31-52-47(61)44(60)49(2,3)35-70-76(67,68)73-75(65,66)69-34-38-43(72-74(62,63)64)42(59)48(71-38)56-37-55-41-45(50)53-36-54-46(41)56/h36-38,42-44,48,59-60H,4-35H2,1-3H3,(H,51,57)(H,52,61)(H,65,66)(H,67,68)(H2,50,53,54)(H2,62,63,64)/t38-,42-,43-,44+,48-/m1/s1",HZPQKTICJQVCSW-YLJNVRNNSA-N,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:74150,,,LMFA07050351,Q27144465,71581022,29368201,
WJ000610,trans-octacos-2-enoyl-CoA,C49H88N7O17P3S,"InChI=1S/C49H88N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-40(58)77-33-32-51-39(57)30-31-52-47(61)44(60)49(2,3)35-70-76(67,68)73-75(65,66)69-34-38-43(72-74(62,63)64)42(59)48(71-38)56-37-55-41-45(50)53-36-54-46(41)56/h28-29,36-38,42-44,48,59-60H,4-27,30-35H2,1-3H3,(H,51,57)(H,52,61)(H,65,66)(H,67,68)(H2,50,53,54)(H2,62,63,64)/b29-28+/t38-,42-,43-,44+,48-/m1/s1",IAMWJUVDPJPLLO-UPCCKGTFSA-N,CCCCCCCCCCCCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:76490,,,,Q27146039,72193800,30785959,
WJ000611,trans-27-methyloctacos-2-enoyl-CoA,C50H90N7O17P3S,"InChI=1/C50H90N7O17P3S/c1-38(2)28-26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29-41(59)78-33-32-52-40(58)30-31-53-48(62)45(61)50(3,4)35-71-77(68,69)74-76(66,67)70-34-39-44(73-75(63,64)65)43(60)49(72-39)57-37-56-42-46(51)54-36-55-47(42)57/h27,29,36-39,43-45,49,60-61H,5-26,28,30-35H2,1-4H3,(H,52,58)(H,53,62)(H,66,67)(H,68,69)(H2,51,54,55)(H2,63,64,65)/b29-27+/t39-,43-,44-,45+,49-/s2",MSMRXVFRFUAAKF-YGWNLOJQSA-N,[H]\C(CCCCCCCCCCCCCCCCCCCCCCCC(C)C)=C(\[H])C(=O)SCCNC(=O)CCNC(=O)[C@@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000612,3-Oxo-27-methyloctacosanoyl-CoA,C50H90N7O18P3S,"InChI=1/C50H90N7O18P3S/c1-37(2)26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-38(58)32-41(60)79-31-30-52-40(59)28-29-53-48(63)45(62)50(3,4)34-72-78(69,70)75-77(67,68)71-33-39-44(74-76(64,65)66)43(61)49(73-39)57-36-56-42-46(51)54-35-55-47(42)57/h35-37,39,43-45,49,61-62H,5-34H2,1-4H3,(H,52,59)(H,53,63)(H,67,68)(H,69,70)(H2,51,54,55)(H2,64,65,66)/t39-,43-,44-,45+,49-/s2",PHPOWUHITVBTOP-JQJYUYILSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCCCCCCCCCCCCCCCCCCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000613,3-Oxotricontanoyl-CoA,C51H92N7O18P3S,"InChI=1S/C51H92N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(59)34-42(61)80-33-32-53-41(60)30-31-54-49(64)46(63)51(2,3)36-73-79(70,71)76-78(68,69)72-35-40-45(75-77(65,66)67)44(62)50(74-40)58-38-57-43-47(52)55-37-56-48(43)58/h37-38,40,44-46,50,62-63H,4-36H2,1-3H3,(H,53,60)(H,54,64)(H,68,69)(H,70,71)(H2,52,55,56)(H2,65,66,67)/t40-,44-,45-,46+,50-/m1/s1",ZNUFFDLELVUGGI-XFQHPCEUSA-N,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:74355,,,,Q27144632,71581216,29368284,
WJ000614,(S)-3-Hydroxytricontanoyl-CoA,C51H94N7O18P3S,"InChI=1S/C51H94N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(59)34-42(61)80-33-32-53-41(60)30-31-54-49(64)46(63)51(2,3)36-73-79(70,71)76-78(68,69)72-35-40-45(75-77(65,66)67)44(62)50(74-40)58-38-57-43-47(52)55-37-56-48(43)58/h37-40,44-46,50,59,62-63H,4-36H2,1-3H3,(H,53,60)(H,54,64)(H,68,69)(H,70,71)(H2,52,55,56)(H2,65,66,67)/t39-,40+,44+,45+,46-,50+/m0/s1",OOHJFDLXKWKOIL-VCMIOKKVSA-N,[H][C@](O)(CCCCCCCCCCCCCCCCCCCCCCCCCCC)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000615,Triacontanoyl-CoA,C51H94N7O17P3S,"InChI=1S/C51H94N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-42(60)79-35-34-53-41(59)32-33-54-49(63)46(62)51(2,3)37-72-78(69,70)75-77(67,68)71-36-40-45(74-76(64,65)66)44(61)50(73-40)58-39-57-43-47(52)55-38-56-48(43)58/h38-40,44-46,50,61-62H,4-37H2,1-3H3,(H,53,59)(H,54,63)(H,67,68)(H,69,70)(H2,52,55,56)(H2,64,65,66)/t40-,44-,45-,46+,50-/m1/s1",QKSUSCCLLRTYKE-XFQHPCEUSA-N,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:76500,,,,Q27146047,72193792,30785967,
WJ000616,trans-triacot-2-enoyl-CoA,C51H92N7O17P3S,"InChI=1S/C51H92N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-42(60)79-35-34-53-41(59)32-33-54-49(63)46(62)51(2,3)37-72-78(69,70)75-77(67,68)71-36-40-45(74-76(64,65)66)44(61)50(73-40)58-39-57-43-47(52)55-38-56-48(43)58/h30-31,38-40,44-46,50,61-62H,4-29,32-37H2,1-3H3,(H,53,59)(H,54,63)(H,67,68)(H,69,70)(H2,52,55,56)(H2,64,65,66)/b31-30+/t40-,44-,45-,46+,50-/m1/s1",LXCAGLOJPFZAKV-OGGZNINVSA-N,CCCCCCCCCCCCCCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:76492,,,,Q27146041,72193778,30785961,
WJ000617,3-oxohexanoyl-CoA,C27H44N7O18P3S,"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)/t16-,20-,21-,22+,26-/m1/s1",NFOYYXQAVVYWKV-HDRQGHTBSA-N,CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:27648,C05269,HMDB03943,LMFA07050242,Q27103240,3082152,2339623,
WJ000618,3-Oxo-5-methylhexanoyl-CoA,C28H46N7O18P3S,"InChI=1/C28H46N7O18P3S/c1-15(2)9-16(36)10-19(38)57-8-7-30-18(37)5-6-31-26(41)23(40)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-22(52-54(42,43)44)21(39)27(51-17)35-14-34-20-24(29)32-13-33-25(20)35/h13-15,17,21-23,27,39-40H,5-12H2,1-4H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,21-,22-,23+,27-/s2",GHRDZXOPWCUEBE-YPVUVRSUSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000619,(S)-3-hydroxyhexanoyl-CoA,C27H46N7O18P3S,"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)/t15-,16+,20+,21+,22-,26+/m0/s1",VAAHKRMGOFIORX-IKTBLOROSA-N,CCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:28276,C05268,HMDB03942;HMDB0003942,LMFA07050017,Q27103605,11966160,10140154,
WJ000620,(S)-3-Hydroxyl-5-methylhexanoyl-CoA,C28H48N7O18P3S,"InChI=1/C28H48N7O18P3S/c1-15(2)9-16(36)10-19(38)57-8-7-30-18(37)5-6-31-26(41)23(40)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-22(52-54(42,43)44)21(39)27(51-17)35-14-34-20-24(29)32-13-33-25(20)35/h13-17,21-23,27,36,39-40H,5-12H2,1-4H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t16-,17+,21+,22+,23-,27+/s2",LSNDUFOIDVSJOB-ZORKKWTOSA-N,[H][C@](O)(CC(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000621,5-methylhexanoyl-CoA,C28H48N7O17P3S,"InChI=1/C28H48N7O17P3S/c1-16(2)6-5-7-19(37)56-11-10-30-18(36)8-9-31-26(40)23(39)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,38-39H,5-13H2,1-4H3,(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-/s2",KQVPATRBGPRFQO-YPVUVRSUSA-N,[H][C@@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000622,hexanoyl-CoA,C27H46N7O17P3S,"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)/t16-,20-,21-,22+,26-/m1/s1",OEXFMSFODMQEPE-HDRQGHTBSA-N,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:24575;CHEBI:5703;CHEBI:27540,C05270,HMDB0002845;HMDB02845,LMFA07050328,Q27103184,449118,395736,DTXSID40964834
WJ000623,trans-hex-2-enoyl-CoA,C27H44N7O17P3S,"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)/b7-6+/t16-,20-,21-,22+,26-/m1/s1",OINXHIBNZUUIMR-IXUYQXAASA-N,CCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:28706;CHEBI:10726,C05271,HMDB03944,LMFA07050393,Q27103847,11966204,10140197,
WJ000624,trans-5-methylhex-2-enoyl-CoA,C28H46N7O17P3S,"InChI=1/C28H46N7O17P3S/c1-16(2)6-5-7-19(37)56-11-10-30-18(36)8-9-31-26(40)23(39)28(3,4)13-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-15-34-20-24(29)32-14-33-25(20)35/h5,7,14-17,21-23,27,38-39H,6,8-13H2,1-4H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/b7-5+/t17-,21-,22-,23+,27-/s2",CLJDGSLAMHPGLJ-CXKZMUJXSA-N,[H]\C(CC(C)C)=C(\[H])C(=O)SCCNC(=O)CCNC(=O)[C@@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000625,3-oxooctanoyl-CoA,C29H48N7O18P3S,"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)/t18-,22-,23-,24+,28-/m1/s1",WPIVBCGRGVNDDT-CECATXLMSA-N,CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:28264;CHEBI:1645,C05267,HMDB03941,LMFA07050249,Q27103595,11966162,10140155,
WJ000626,3-Oxo-7-methyloctanoyl-CoA,C30H50N7O18P3S,"InChI=1S/C30H50N7O18P3S/c1-17(2)6-5-7-18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)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/h15-17,19,23-25,29,41-42H,5-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t19-,23-,24-,25+,29-/m1/s1",VAMSVBPIVXQTFY-FUEUKBNZSA-N,CC(C)CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:12258;CHEBI:15506;CHEBI:2272,C03685,,LMFA07050277,Q27089488,11966134,10140128,
WJ000627,(S)-3-hydroxyoctanoyl-CoA,C29H50N7O18P3S,"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)/t17-,18+,22+,23+,24-,28+/m0/s1",ATVGTMKWKDUCMS-OTOYJEMWSA-N,CCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:28632,C05266,HMDB03940,LMFA07050015,Q27103800,11966216,10140209,
WJ000628,(S)-3-Hydroxy-7-methyloctanoyl-CoA,C30H52N7O18P3S,"InChI=1/C30H52N7O18P3S/c1-17(2)6-5-7-18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)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/h15-19,23-25,29,38,41-42H,5-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t18-,19+,23+,24+,25-,29+/s2",KEGRHRCIKYBVSA-UGDQNKSBSA-N,[H][C@](O)(CCCC(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000629,7-methyloctanoyl-CoA,C30H52N7O17P3S,"InChI=1S/C30H52N7O17P3S/c1-18(2)8-6-5-7-9-21(39)58-13-12-32-20(38)10-11-33-28(42)25(41)30(3,4)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h16-19,23-25,29,40-41H,5-15H2,1-4H3,(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",VLQMJDKLPNKZNA-FUEUKBNZSA-N,[H][C@](O)(C(=O)NCCC(=O)NCCSC(=O)CCCCCC(C)C)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP(O)(O)=O,,,,,,,,
WJ000630,octanoyl-CoA,C29H50N7O17P3S,"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)/t18-,22-,23-,24+,28-/m1/s1",KQMZYOXOBSXMII-CECATXLMSA-N,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,,,,,,,
WJ000631,trans-oct-2-enoyl-CoA,C29H48N7O17P3S,"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)/b9-8+/t18-,22-,23-,24+,28-/m1/s1",CPSDNAXXKWVYIY-NTLMCJQISA-N,CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:27537;CHEBI:10732,C05276,HMDB03949,LMFA07050024,Q27103182,11966175,10140168,
WJ000632,trans-7-methyloct-2-enoyl-CoA,C30H50N7O17P3S,"InChI=1/C30H50N7O17P3S/c1-18(2)8-6-5-7-9-21(39)58-13-12-32-20(38)10-11-33-28(42)25(41)30(3,4)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16-35-27(22)37/h7,9,16-19,23-25,29,40-41H,5-6,8,10-15H2,1-4H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b9-7+/t19-,23-,24-,25+,29-/s2",UTIOTQPBYIHZGV-LZTDKBKRSA-N,[H]\C(CCCC(C)C)=C(\[H])C(=O)SCCNC(=O)CCNC(=O)[C@@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@]1([H])O[C@]([H])(N2C=NC3=C(N)N=CN=C23)[C@@]([H])(O)[C@@]1([H])OP(O)(O)=O,,,,,,,,
WJ000633,cyclic pyranopterin monophosphate,C10H14N5O8P,"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)/t2-,4-,5+,8-/m1/s1",CZAKJJUNKNPTTO-AJFJRRQVSA-N,[H][C@@]12COP(O)(=O)O[C@]1([H])C(O)(O)[C@]1([H])NC3=C(N[C@]1([H])O2)N=C(N)NC3=O,CHEBI:60210,C18239,HMDB59639;HMDB0059639,,,16061579,17221217,DTXSID90934067
WJ000634,(R)-carnitine,C7H15NO3,"InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1",PHIQHXFUZVPYII-ZCFIWIBFSA-N,C[N+](C)(C)C[C@H](O)CC([O-])=O,CHEBI:16347,C00318,HMDB00062;HMDB0000062,,Q20735709,2724480;10917,2006614;10455,DTXSID4023208
WJ000635,cytosine,C4H5N3O,"InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)",OPTASPLRGRRNAP-UHFFFAOYSA-N,NC1=NC(=O)NC=C1,CHEBI:16040,C00380,HMDB0000630;HMDB00630,,Q178425,597,577,DTXSID4044456
WJ000636,"2-cis,6-trans-farnesyl diphosphate",C15H28O7P2,"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)/b14-9+,15-11-",VWFJDQUYCIWHTN-PVMFERMNSA-N,CC(C)=CCC\C(C)=C\CC\C(C)=C/COP(O)(=O)OP(O)(O)=O,CHEBI:19515,C16826,,LMPR0103010010,Q27109186,445683,393244,
WJ000637,CTP,C9H16N3O14P3,"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)/t4-,6-,7-,8-/m1/s1",PCDQPRRSZKQHHS-XVFCMESISA-N,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O,CHEBI:17677,C00063,HMDB00082;HMDB0000082,,Q409648,6176,5941;19952488,DTXSID70889324
WJ000638,Hydrogen cyanide,CHN,InChI=1S/CHN/c1-2/h1H,LELOWRISYMNNSU-UHFFFAOYSA-N,C#N,CHEBI:18407,C01326,HMDB60292;HMDB0060292,,Q26075,768,748;19951400,DTXSID9024148
WJ000639,3-cyanoalanine,C4H6N2O2,"InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)",BXRLWGXPSRYJDZ-UHFFFAOYSA-N,NC(CC#N)C(O)=O,CHEBI:132546,,,,,,,
WJ000640,L-cysteine,C3H7NO2S,"InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1",XUJNEKJLAYXESH-REOHCLBHSA-N,N[C@@H](CS)C(O)=O,CHEBI:35235;CHEBI:17561;CHEBI:41227;CHEBI:35237,C00097,HMDB0000574;HMDB00574,,Q186474,5862,5653,DTXSID8022876
WJ000641,L-cystathionine,C7H14N2O4S,"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",ILRYLPWNYFXEMH-WHFBIAKZSA-N,N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O,CHEBI:17482,C02291,HMDB0000099;HMDB00099,,Q28529685,439258,388392,DTXSID20971384
WJ000642,cytidine,C9H13N3O5,"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",UHDGCWIWMRVCDJ-XVFCMESISA-N,NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEBI:28680;CHEBI:17562,C02961;C00475,HMDB0000089;HMDB00089,,Q422538,6253;6175,6017,DTXSID60891552
WJ000643,(5alpha)-3-oxocholestan-26-oic acid,C27H44O3,"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/h17-19,21-24H,5-16H2,1-4H3,(H,29,30)/t17-,18?,19+,21+,22-,23+,24+,26+,27-/m1/s1",VJABJEQGFJMMDO-DHOKGTGGSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C(O)=O,CHEBI:78701,,,,Q27147920,86289630,31150587,
WJ000644,"Delta(1),Delta(7)-dafachronic acid",C27H40O3,"InChI=1S/C27H40O3/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/h9,12,14,17-19,22-24H,5-8,10-11,13,15-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1",ZDKITBVZRSMXSV-OBRBSRNPSA-N,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])CC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC[C@H](C)C(O)=O,CHEBI:83137,,,,Q27156663,57521647,34448697,
WJ000645,(25S)-Delta(4)-dafachronic acid,C27H42O3,"InChI=1S/C27H42O3/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/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18+,21+,22-,23+,24+,26+,27-/m1/s1",PSXQJZDFWDKBIP-KMPPVSSLSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC[C@H](C)C(O)=O,CHEBI:71560,,,LMST04030221,Q27139710,16734910,20566404,
WJ000646,(25S)-Delta(7)-dafachronic acid,C27H42O3,"InChI=1S/C27H42O3/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/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1",SQTAVUCHOVVOFD-OBRBSRNPSA-N,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC[C@H](C)C(O)=O,CHEBI:71556,,,LMST04030222,Q27139706,23583984,26326524,
WJ000647,2'-deoxyadenosine,C10H13N5O3,"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",OLXZPDWKRNYJJZ-RRKCRQDMSA-N,NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](CO)O3)C2=NC=N1,CHEBI:17256,C00559,HMDB0000101;HMDB00101,,Q422457,13730,13135,DTXSID10883624
WJ000648,5'-deoxyadenosine,C10H13N5O3,"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",XGYIMTFOTBMPFP-KQYNXXCUSA-N,C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12,CHEBI:17319;CHEBI:40099,C05198,HMDB0001983;HMDB01983,,Q27102319,439182,388325,
WJ000649,dADP,C10H15N5O9P2,"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)/t5-,6+,7+/m0/s1",DAEAPNUQQAICNR-RRKCRQDMSA-N,NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1,CHEBI:16174,,HMDB01508,,Q27098417,188966,164196,
WJ000650,2'-deoxyadenosine 5'-monophosphate,C10H14N5O6P,"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)/t5-,6+,7+/m0/s1",KHWCHTKSEGGWEX-RRKCRQDMSA-N,NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,CHEBI:17713,C00360,HMDB00905;HMDB0000905,,Q1874427,12599,12079,
WJ000651,dATP,C10H16N5O12P3,"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)/t5-,6+,7+/m0/s1",SUYVUBYJARFZHO-RRKCRQDMSA-N,NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1,CHEBI:16284,C00131,HMDB0001532;HMDB01532,,Q201090,15993,15194,DTXSID10895848
WJ000652,"N(6)-(1,2-dicarboxyethyl)-AMP",C14H18N5O11P,"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)/t5?,6-,9-,10-,13-/m1/s1",OFBHPPMPBOJXRT-DPXQIYNJSA-N,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2NC(CC(O)=O)C(O)=O,CHEBI:15919,C03794,HMDB00536;HMDB0000536;HMDB59653,,Q2823236,440122,389122,
WJ000653,dCDP,C9H15N3O10P2,"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)/t5-,6+,8+/m0/s1",FTDHDKPUHBLBTL-SHYZEUOFSA-N,[H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@]([H])(C[C@@H]1O)N1C=CC(N)=NC1=O,CHEBI:28846,C00705,HMDB0001245;HMDB01245,,Q55168710,150855,132961,
WJ000654,2'-deoxycytosine 5'-monophosphate,C9H14N3O7P,"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)/t5-,6+,8+/m0/s1",NCMVOABPESMRCP-SHYZEUOFSA-N,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1,CHEBI:15918,C00239,HMDB0001202;HMDB01202,,Q2742455,13945,13343,DTXSID40948477
WJ000655,dCTP,C9H16N3O13P3,"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)/t5-,6+,8+/m0/s1",RGWHQCVHVJXOKC-SHYZEUOFSA-N,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1,CHEBI:16311,C00458,HMDB00998;HMDB0000998,,Q424680,65091,58601,DTXSID50908042
WJ000656,2'-deoxycytidine,C9H13N3O4,"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",CKTSBUTUHBMZGZ-SHYZEUOFSA-N,NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](CO)O1,CHEBI:15698,C00881,HMDB0000014;HMDB00014,,Q422504,13711,13117,DTXSID70883620
WJ000657,7-dehydrodesmosterol,C27H42O,"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",RUSSPKPUXDSHNC-DDPQNLDTSA-N,[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C,CHEBI:27910;CHEBI:2257,C05107,HMDB0003896;HMDB03896,LMST01010121,Q2818195,440558,389458,
WJ000658,dGDP,C10H15N5O10P2,"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)/t4-,5+,6+/m0/s1",CIKGWCTVFSRMJU-KVQBGUIXSA-N,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)N1,CHEBI:28862,C00361,HMDB0000960;HMDB00960,,Q27103932,439220,388359,
WJ000659,2'-deoxyguanosine 5'-monophosphate,C10H14N5O7P,"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)/t4-,5+,6+/m0/s1",LTFMZDNNPPEQNG-KVQBGUIXSA-N,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1,CHEBI:16192,C00362,HMDB01044;HMDB0001044,,,65059,58570,DTXSID20896947
WJ000660,2'-deoxyguanosine,C10H13N5O4,"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",YKBGVTZYEHREMT-KVQBGUIXSA-N,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1,CHEBI:17172,C00330,HMDB00085;HMDB0000085,,,187790,163230,DTXSID30883626
WJ000661,dGTP,C10H16N5O13P3,"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)/t4-,5+,6+/m0/s1",HAAZLUGHYHWQIW-KVQBGUIXSA-N,NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)N1,CHEBI:16497,C00286,HMDB01440;HMDB0001440,,Q424586,65103,58613,DTXSID50917119
WJ000662,dihydroxyacetone,C3H6O3,"InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2",RXKJFZQQPQGTFL-UHFFFAOYSA-N,OCC(=O)CO,CHEBI:16016,C00184,HMDB0001882;HMDB01882,,Q409618,670,650,
WJ000663,dihydroxyacetone phosphate,C3H7O6P,"InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)",GNGACRATGGDKBX-UHFFFAOYSA-N,OCC(=O)COP(O)(O)=O,CHEBI:16108;CHEBI:5454,C00111,HMDB01473;HMDB0001473,,Q416915,668,648,DTXSID6058768
WJ000664,"6,7-dihydrobiopterin",C9H13N5O3,"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)",ZHQJVZLJDXWFFX-UHFFFAOYSA-N,CC(O)C(O)C1CNC2=NC(N)=NC(=O)C2=N1,CHEBI:20680,C00268,,,Q28529687,1879,,
WJ000665,L-dehydroascorbic acid,C6H6O6,"InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1",SBJKKFFYIZUCET-JLAZNSOCSA-N,[H][C@@]1(OC(=O)C(=O)C1=O)[C@@H](O)CO,CHEBI:27956,C00425;C05422,HMDB01264,,Q3116723,440667,389547,DTXSID00912316
WJ000666,"(5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid",C20H34O4,"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-",LRPPQRCHCPFBPE-KROJNAHFSA-N,CCCCC\C=C/CC(O)C(O)C\C=C/C\C=C/CCCC(O)=O,CHEBI:34129;CHEBI:63969,C14774,HMDB0002314;HMDB02314,LMFA03050008,Q27104911,5283146,4446270,DTXSID701009862
WJ000667,dihydrofolic acid,C19H21N7O6,"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)/t12-/m0/s1",OZRNSSUDZOLUSN-LBPRGKRZSA-N,NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1,CHEBI:15633,C00415,HMDB0001056;HMDB01056,,Q192367,98792,89228,
WJ000668,"1,2-dihydroxy-5-(methylthio)pent-1-en-3-one",C6H10O3S,"InChI=1S/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3/b6-4-",CILXJJLQPTUUSS-XQRVVYSFSA-N,CSCCC(=O)C(\O)=C\O,CHEBI:49252,C15606,HMDB12134;HMDB0012134,,Q27121564,5462190,4575316,
WJ000669,"7,8-dihydroneopterin",C9H13N5O4,"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",YQIFAMYNGGOTFB-XINAWCOVSA-N,NC1=NC2=C(N=C(CN2)[C@H](O)[C@H](O)CO)C(=O)N1,CHEBI:17001,,,,Q28487686,65074,,DTXSID00153368
WJ000670,(S)-dihydroorotic acid,C5H6N2O4,"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)/t2-/m0/s1",UFIVEPVSAGBUSI-REOHCLBHSA-N,OC(=O)[C@@H]1CC(=O)NC(=O)N1,CHEBI:17025,C00337,HMDB03349;HMDB0003349,,Q27093197,439216,388355,DTXSID30331399
WJ000671,"7,8-dihydropteroic acid",C14H14N6O3,"InChI=1S/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21)",WBFYVDCHGVNRBH-UHFFFAOYSA-N,NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(O)=O)CN2)C(=O)N1,CHEBI:4581,C00921,HMDB0001412;HMDB01412,,Q5276444,170,165,DTXSID40175605
WJ000672,2'-deoxyinosine-5'-diphosphate,C10H14N4O10P2,"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)/t5-,6+,7+/m0/s1",BKUSIKGSPSFQAC-RRKCRQDMSA-N,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=NC2=C1N=CNC2=O,CHEBI:28823,C01344,HMDB03536;HMDB0003536,,Q27103915,439488,388586,
WJ000673,2'-deoxyinosine-5'-monophosphate,C10H13N4O7P,"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)/t5-,6+,7+/m0/s1",PHNGFPPXDJJADG-RRKCRQDMSA-N,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=NC2=C1N=CNC2=O,CHEBI:41998;CHEBI:28806;CHEBI:837,C06196,HMDB0006555;HMDB06555,,Q15410932,91531,82650,DTXSID60937065
WJ000674,2'-deoxyinosine,C10H12N4O4,"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",VGONTNSXDCQUGY-RRKCRQDMSA-N,OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC2=O,CHEBI:4413;CHEBI:28997,C05512,HMDB00071;HMDB0000071,,Q27071895,65058,58569,
WJ000675,dITP,C10H15N4O13P3,"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)/t5-,6+,7+/m0/s1",UFJPAQSLHAGEBL-RRKCRQDMSA-N,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=NC2=C1N=CNC2=O,CHEBI:28807,C01345,HMDB0003537;HMDB03537,,Q27103909,146302,129052,DTXSID10168049
WJ000676,"5-(methylsulfanyl)-2,3-dioxopentyl phosphate",C6H11O6PS,"InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)",HKEAOVFNWRDVAJ-UHFFFAOYSA-N,CSCCC(=O)C(=O)COP(O)(O)=O,CHEBI:50604,C15650,HMDB59620;HMDB0059620,,Q27122137,561,545,DTXSID00151248
WJ000677,"all-cis-icosa-8,11,14-trienoyl-CoA",C41H68N7O17P3S,"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)/b9-8-,12-11-,15-14-/t30-,34-,35-,36+,40-/m1/s1",FJWJALRUNNZIBB-DDQUOPDJSA-N,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:27979,C03595,HMDB0060185;HMDB60185;HMDB03947;HMDB0003947,LMFA07050011,Q27103436,11966190,10140183,
WJ000678,"N,N-dimethyl-beta-alanine",C5H11NO2,"InChI=1S/C5H11NO2/c1-6(2)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)",JMOXSQYGVIXBBZ-UHFFFAOYSA-N,CN(C)CCC(O)=O,,,,,,,,DTXSID40286407
WJ000679,"N,N-dimethylethanolamine phosphate",C4H12NO4P,"InChI=1S/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)",BLHVJAAEHMLMOI-UHFFFAOYSA-N,CN(C)CCOP(O)(O)=O,CHEBI:31997,C13482,HMDB60244;HMDB0060244,,Q27114746,151438,133469,DTXSID00219130
WJ000680,prenyl diphosphate,C5H12O7P2,"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)",CBIDRCWHNCKSTO-UHFFFAOYSA-N,CC(C)=CCOP(O)(=O)OP(O)(O)=O,CHEBI:16057,C17627;C00235,HMDB01120;HMDB0001120,LMPR01010001,Q417398,647,627,DTXSID70189331
WJ000681,deamido-NAD zwitterion,C21H26N6O15P2,"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)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1",SENPVEZBRZQVST-HISDBWNOSA-N,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]2=CC(=CC=C2)C(O)=O)[C@@H](O)[C@H]1O,CHEBI:14105,,,,,,,
WJ000682,dopamine,C8H11NO2,"InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2",VYFYYTLLBUKUHU-UHFFFAOYSA-N,NCCC1=CC(O)=C(O)C=C1,CHEBI:1764;CHEBI:18243,C03758,HMDB00073;HMDB0000073,,Q170304,681,661,DTXSID6022420
WJ000683,L-dopaquinone,C9H9NO4,"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",AHMIDUVKSGCHAU-LURJTMIESA-N,N[C@@H](CC1=CC(=O)C(=O)C=C1)C(O)=O,CHEBI:23887;CHEBI:4699;CHEBI:57924;CHEBI:16852,C00822,HMDB01229;HMDB0001229,,Q11694846,439316,388447,DTXSID50897220
WJ000684,3'-dephospho-CoA,C21H35N7O13P2S,"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)/t11-,14-,15-,16+,20-/m1/s1",KDTSHFARGAKYJN-IBOSZNHHSA-N,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS,CHEBI:15468,C00882,HMDB01373,,Q27089453,444485,392407,
WJ000685,"1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate",C6H19O27P7,"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)/t1-,2-,3+,4-,5-,6-/m1/s1",UPHPWXPNZIOZJL-UOTPTPDRSA-N,OP(O)(=O)O[C@H]1[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@@H]1OP(O)(O)=O,CHEBI:62919,C11174,,,Q27104903,,26333208,
WJ000686,desmosterol,C27H44O,"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",AVSXSVCZWQODGV-DPAQBDIFSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC=C(C)C,CHEBI:17737,C01802,HMDB02719;HMDB0002719,LMST01010016,Q3024529,439577,388662,DTXSID10878676
WJ000687,dTDP,C10H16N2O11P2,"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)/t6-,7+,8+/m0/s1",UJLXYODCHAELLY-XLPZGREQSA-N,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,CHEBI:18075,C00363,HMDB01274;HMDB0001274,,Q2186340,164628,144320,
WJ000688,dTMP,C10H15N2O8P,"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)/t6-,7+,8+/m0/s1",GYOZYWVXFNDGLU-XLPZGREQSA-N,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O,CHEBI:17013,C00364,HMDB0001227;HMDB01227,,Q23905769,9700,9319,DTXSID60904171
WJ000689,"L-1,4-dithiothreitol",C4H10O2S2,"InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1",VHJLVAABSRFDPM-IMJSIDKUSA-N,O[C@@H](CS)[C@@H](O)CS,CHEBI:42106,C00265,HMDB13593;HMDB0013593,,Q27104490,439196,388336,
WJ000690,"(4S,5S)-1,2-dithiane-4,5-diol",C4H8O2S2,"InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1",YPGMOWHXEQDBBV-QWWZWVQMSA-N,O[C@@H]1CSSC[C@H]1O,CHEBI:41837;CHEBI:41830,,,,Q27104484,445528,393143,DTXSID80190534
WJ000691,dTTP,C10H17N2O14P3,"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)/t6-,7+,8+/m0/s1",NHVNXKFIZYSCEB-XLPZGREQSA-N,CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O,CHEBI:18077,C00459,HMDB0001342;HMDB01342,,Q303961,64968,58493,DTXSID30189998
WJ000692,dUDP,C9H14N2O11P2,"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)/t5-,6+,8+/m0/s1",QHWZTVCCBMIIKE-SHYZEUOFSA-N,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,CHEBI:28850,C01346,HMDB01000;HMDB0001000,,Q60573941,145729,128553,DTXSID90194922
WJ000693,dUMP,C9H13N2O8P,"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)/t5-,6+,8+/m0/s1",JSRLJPSBLDHEIO-SHYZEUOFSA-N,O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O,CHEBI:17622,C00365,HMDB01409;HMDB0001409,,Q2741362,65063,58574,DTXSID20242223
WJ000694,2'-deoxyuridine,C9H12N2O5,"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",MXHRCPNRJAMMIM-SHYZEUOFSA-N,OC[C@H]1O[C@H](C[C@@H]1O)N1C=CC(=O)NC1=O,CHEBI:16450,C00526,HMDB0000012;HMDB00012,,Q419140,13712,13118,DTXSID30883621
WJ000695,dUTP,C9H15N2O14P3,"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)/t5-,6+,8+/m0/s1",AHCYMLUZIRLXAA-SHYZEUOFSA-N,O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,CHEBI:17625,C00460,HMDB01191;HMDB0001191,,Q28529690,65070,58580,DTXSID60908053
WJ000696,erythro-4-hydroxy-L-glutamic acid,C5H9NO5,"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)/t2-,3+/m0/s1",HBDWQSHEVMSFGY-STHAYSLISA-N,N[C@@H](C[C@@H](O)C(O)=O)C(O)=O,,,,,,,,DTXSID90331532
WJ000697,D-erythrose 4-phosphate,C4H9O7P,"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)/t3-,4+/m0/s1",NGHMDNPXVRFFGS-IUYQGCFVSA-N,[H]C(=O)[C@H](O)[C@H](O)COP(O)(O)=O,CHEBI:48153,C00279,HMDB0001321;HMDB01321,,Q32039231,122357,109096,
WJ000698,"11,12-EET",C20H32O3,"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)/b8-6-,12-9-,13-10-",DXOYQVHGIODESM-KROJNAHFSA-N,CCCCC\C=C/CC1OC1C\C=C/C\C=C/CCCC(O)=O,CHEBI:34130,C14770,HMDB10409,LMFA03080004,Q27104280,5283204,4446325,
WJ000699,"(5Z,11Z,14Z,17Z)-icosatetraenoic acid",C20H32O2,"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/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,16-15-",JDKIKEYFSJUYJZ-OUJQXAOTSA-N,CC\C=C/C\C=C/C\C=C/CCCC\C=C/CCCC(O)=O,CHEBI:82835,,,LMFA01030394,Q27156397,5312543,4471968,
WJ000700,enol-phenylpyruvic acid,C9H8O3,"InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)",DEDGUGJNLNLJSR-UHFFFAOYSA-N,OC(=O)C(O)=CC1=CC=CC=C1,CHEBI:32815;CHEBI:10548,C02763,,,Q27104236,691,671,
WJ000701,ethanolamine,C2H7NO,"InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2",HZAXFHJVJLSVMW-UHFFFAOYSA-N,NCCO,CHEBI:16000,C00189,HMDB0000149;HMDB00149,,Q410387,700,13835336,DTXSID6022000
WJ000702,O-phosphoethanolamine,C2H8NO4P,"InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)",SUHOOTKUPISOBE-UHFFFAOYSA-N,NCCOP(O)(O)=O,CHEBI:17553,C00346,HMDB0000224;HMDB00224,,Q418826,1015,990,DTXSID5061453
WJ000703,ethanol,C2H6O,"InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",LFQSCWFLJHTTHZ-UHFFFAOYSA-N,CCO,CHEBI:16236,C00469,HMDB00108;HMDB0000108,,Q153,702,682,DTXSID9020584
WJ000704,D-fructofuranose 1-phosphate,C6H13O9P,"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)/t3-,4-,5+,6?/m1/s1",RHKKZBWRNHGJEZ-VRPWFDPXSA-N,OC[C@H]1OC(O)(COP(O)(O)=O)[C@@H](O)[C@@H]1O,CHEBI:37515,C01094,HMDB01076,,Q27104412,439394,388511,
WJ000705,"beta-D-fructofuranose 2,6-bisphosphate",C6H14O12P2,"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)/t3-,4-,5+,6+/m1/s1",YXWOAJXNVLXPMU-ZXXMMSQZSA-N,OC[C@@]1(OP(O)(O)=O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,CHEBI:28602,C00665,HMDB0001047;HMDB01047,,Q417484,105021,21106440;94762,DTXSID90897603
WJ000706,beta-D-fructofuranose 6-phosphate,C6H13O9P,"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)/t3-,4-,5+,6-/m1/s1",BGWGXPAPYGQALX-ARQDHWQXSA-N,OC[C@@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,CHEBI:16084,C05345,HMDB03971;HMDB0003971,,Q27098371,440641,389526,DTXSID90889361
WJ000707,10-oxocapric acid,C10H18O3,"InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h9H,1-8H2,(H,12,13)",FYURGFQVSMALOD-UHFFFAOYSA-N,[H]C(=O)CCCCCCCCC(O)=O,CHEBI:17130,,,LMFA01060078,Q27102226,79686,71986,DTXSID00204344
WJ000708,10-hydroxycapric acid,C10H20O3,"InChI=1S/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)",YJCJVMMDTBEITC-UHFFFAOYSA-N,OCCCCCCCCCC(O)=O,CHEBI:17409,C02774,,LMFA01050033,Q18343392,74300,66903,DTXSID10168428
WJ000709,decanoic acid,C10H20O2,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",GHVNFZFCNZKVNT-UHFFFAOYSA-N,CCCCCCCCCC(O)=O,CHEBI:30813,C01571,HMDB0000511;HMDB00511,LMFA01010010,Q422613,2969,2863,DTXSID9021554
WJ000710,11-Methyldodecanoic acid,C13H26O2,"InChI=1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)",SIOLDWZBFABPJU-UHFFFAOYSA-N,CC(C)CCCCCCCCCC(O)=O,CHEBI:77359,,,LMFA01020006,Q27146900,33002,30548,DTXSID1067099
WJ000711,dodecanoic acid,C12H24O2,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",POULHZVOKOAJMA-UHFFFAOYSA-N,CCCCCCCCCCCC(O)=O,CHEBI:30805;CHEBI:41882,C02679,HMDB00638;HMDB0000638,LMFA01010012,Q422627,3893,3756,DTXSID5021590
WJ000712,isopentadecanoic acid,C15H30O2,"InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)",ZOCYQVNGROEVLU-UHFFFAOYSA-N,CC(C)CCCCCCCCCCCC(O)=O,CHEBI:39250,,HMDB61707;HMDB0061707,LMFA01020009,Q20179071,151014,133106,DTXSID90179552
WJ000713,tetradecanoic acid,C14H28O2,"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)",TUNFSRHWOTWDNC-UHFFFAOYSA-N,CCCCCCCCCCCCCC(O)=O,CHEBI:44232;CHEBI:28875,C06424,HMDB00806;HMDB0000806,LMFA01010014,Q422658,11005,10539,DTXSID6021666
WJ000714,isoheptadecanoic acid,C17H34O2,"InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)",IIUXHTGBZYEGHI-UHFFFAOYSA-N,CC(C)CCCCCCCCCCCCCC(O)=O,CHEBI:70850,,HMDB0061709;HMDB61709,LMFA01020012,Q27139144,164860,144529,DTXSID60166853
WJ000715,hexadecanoic acid,C16H32O2,"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)",IPCSVZSSVZVIGE-UHFFFAOYSA-N,CCCCCCCCCCCCCCCC(O)=O,CHEBI:15756,C00249,HMDB0000220;HMDB00220,LMFA01010001,Q209727,985,960,DTXSID2021602
WJ000716,(9Z)-hexadecenoic acid,C16H30O2,"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)/b8-7-",SECPZKHBENQXJG-FPLPWBNLSA-N,CCCCCC\C=C/CCCCCCCC(O)=O,CHEBI:78095;CHEBI:28716;CHEBI:44696,C08362,HMDB0003229;HMDB03229,LMFA01030056,Q412366,445638,393216,DTXSID0041197
WJ000717,"cis-9,10-methylenehexadecanoic acid",C17H32O2,"InChI=1S/C17H32O2/c1-2-3-4-8-11-15-14-16(15)12-9-6-5-7-10-13-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)/t15-,16+/m0/s1",MUZYOAHCGSIXJH-JKSUJKDBSA-N,CCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O,,,,,,,,
WJ000718,"cis-9,10-methylenehexadecanoyl-CoA",C38H66N7O17P3S,"InChI=1S/C38H66N7O17P3S/c1-4-5-6-10-13-25-20-26(25)14-11-8-7-9-12-15-29(47)66-19-18-40-28(46)16-17-41-36(50)33(49)38(2,3)22-59-65(56,57)62-64(54,55)58-21-27-32(61-63(51,52)53)31(48)37(60-27)45-24-44-30-34(39)42-23-43-35(30)45/h23-27,31-33,37,48-49H,4-22H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t25-,26+,27+,31+,32+,33-,37+/m0/s1",BFNSTMZTKHJMAT-FEJRGTKPSA-N,CCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)SCCN=C(CCN=C([C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)OP(=O)(O)O)O)O)O,,,,,,,,
WJ000719,"O-cis-9,10-methylenehexadecanoyl-L-carnitine",C24H45NO4,"InChI=1S/C24H45NO4/c1-5-6-7-11-14-20-17-21(20)15-12-9-8-10-13-16-24(28)29-22(18-23(26)27)19-25(2,3)4/h20-22H,5-19H2,1-4H3/t20-,21+,22+/m0/s1",HZZZPXYJZMCKMS-BHDDXSALSA-N,[H][C@]1(CCCCCC)C[C@@]1([H])CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000720,octadecanoic acid,C18H36O2,"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)",QIQXTHQIDYTFRH-UHFFFAOYSA-N,CCCCCCCCCCCCCCCCCC(O)=O,CHEBI:28842;CHEBI:45710,C01530,HMDB00827;HMDB0000827,LMFA01010018,Q209685,5281,5091,DTXSID8021642
WJ000721,oleic acid,C18H34O2,"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-",ZQPPMHVWECSIRJ-KTKRTIGZSA-N,CCCCCCCC\C=C/CCCCCCCC(O)=O,CHEBI:16196,C00712,HMDB00207;HMDB0000207,LMFA01030002,Q207688,445639,393217,DTXSID1025809
WJ000722,linoleic acid,C18H32O2,"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)/b7-6-,10-9-",OYHQOLUKZRVURQ-HZJYTTRNSA-N,CCCCC\C=C/C\C=C/CCCCCCCC(O)=O,CHEBI:17351;CHEBI:42395,C01595,HMDB0000673;HMDB00673,LMFA01030120,Q407426,5280450,4444105,DTXSID2025505
WJ000723,gamma-linolenic acid,C18H30O2,"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-",VZCCETWTMQHEPK-QNEBEIHSSA-N,CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O,CHEBI:28661,C06426,HMDB03073;HMDB0003073,LMFA01030141,Q415885,5280933,4444436,DTXSID7046170
WJ000724,alpha-linolenic acid,C18H30O2,"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)/b4-3-,7-6-,10-9-",DTOSIQBPPRVQHS-PDBXOOCHSA-N,CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O,CHEBI:43891;CHEBI:27432,C06427,HMDB0001388;HMDB01388,LMFA01030152,Q256502,5280934,4444437,DTXSID7025506
WJ000725,"cis-11,12-methyleneoctadecanoic acid",C19H36O2,"InChI=1S/C19H36O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)/t17?,18-/m1/s1",IJKRDVKGCQRKBI-QRWMCTBCSA-N,CCCCCCC1C[C@H]1CCCCCCCCCC(=O)O,,,,,,,,
WJ000726,"cis-11,12-methyleneoctadecanoyl-CoA",C40H70N7O17P3S,"InChI=1S/C40H70N7O17P3S/c1-4-5-6-12-15-27-22-28(27)16-13-10-8-7-9-11-14-17-31(49)68-21-20-42-30(48)18-19-43-38(52)35(51)40(2,3)24-61-67(58,59)64-66(56,57)60-23-29-34(63-65(53,54)55)33(50)39(62-29)47-26-46-32-36(41)44-25-45-37(32)47/h25-29,33-35,39,50-51H,4-24H2,1-3H3,(H,42,48)(H,43,52)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/t27?,28-,29-,33-,34-,35+,39-/m1/s1",VDYGDLAYZYHVKO-BBAONULGSA-N,CCCCCCC1C[C@H]1CCCCCCCCCC(=O)SCCN=C(CCN=C([C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)OP(=O)(O)O)O)O)O,,,,,,,,
WJ000727,"O-cis-11,12-methyleneoctadecanoyl-L-carnitine",C26H49NO4,"InChI=1S/C26H49NO4/c1-5-6-7-13-16-22-19-23(22)17-14-11-9-8-10-12-15-18-26(30)31-24(20-25(28)29)21-27(2,3)4/h22-24H,5-21H2,1-4H3/t22?,23-,24-/m1/s1",JNTWSORSSDLYPI-HEYJASKDSA-N,[H]C1(CCCCCC)C[C@@]1([H])CCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,,,,,,,,
WJ000728,arachidic acid,C20H40O2,"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)",VKOBVWXKNCXXDE-UHFFFAOYSA-N,CCCCCCCCCCCCCCCCCCCC(O)=O,CHEBI:28822,C06425,HMDB0002212;HMDB02212,LMFA01010020,Q409608,10467,10035,DTXSID1060134
WJ000729,Dihomo-gamma-linolenic acid,C20H34O2,"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)/b7-6-,10-9-,13-12-",HOBAELRKJCKHQD-QNEBEIHSSA-N,CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O,CHEBI:53486,C03242,HMDB02925;HMDB0002925,LMFA01030158,Q415398,5280581,4444199,DTXSID00912351
WJ000730,arachidonic acid,C20H32O2,"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)/b7-6-,10-9-,13-12-,16-15-",YZXBAPSDXZZRGB-DOFZRALJSA-N,CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,CHEBI:15843;CHEBI:40501,C00219,HMDB01043;HMDB60102;HMDB0060102;HMDB0001043,LMFA01030001,Q407699,444899,392692,DTXSID4040420
WJ000731,henicosanoic acid,C21H42O2,"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)",CKDDRHZIAZRDBW-UHFFFAOYSA-N,CCCCCCCCCCCCCCCCCCCCC(O)=O,CHEBI:39248,,HMDB0002345;HMDB02345,LMFA01010021,Q911218,16898,16012,DTXSID0021595
WJ000732,docosanoic acid,C22H44O2,"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)",UKMSUNONTOPOIO-UHFFFAOYSA-N,CCCCCCCCCCCCCCCCCCCCCC(O)=O,CHEBI:28941,C08281,HMDB00944;HMDB0000944,LMFA01010022,Q422590,8215,7923,DTXSID3026930
WJ000733,tetracosanoic acid,C24H48O2,"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)",QZZGJDVWLFXDLK-UHFFFAOYSA-N,CCCCCCCCCCCCCCCCCCCCCCCC(O)=O,CHEBI:28866,C08320,HMDB0002003;HMDB02003,LMFA01010024,Q422634,11197,10724,DTXSID6021664
WJ000734,hexacosanoic acid,C26H52O2,"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)",XMHIUKTWLZUKEX-UHFFFAOYSA-N,CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,CHEBI:31009,,HMDB0002356;HMDB02356,LMFA01010026,Q903348,10469,10037,DTXSID7075050
WJ000735,octacosanoic acid,C28H56O2,"InChI=1S/C28H56O2/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(29)30/h2-27H2,1H3,(H,29,30)",UTOPWMOLSKOLTQ-UHFFFAOYSA-N,CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,CHEBI:31001,,HMDB0002348;HMDB02348,LMFA01010028,Q911196,10470,10038,DTXSID2075051
WJ000736,Triacontanoic acid,C30H60O2,"InChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)",VHOCUJPBKOZGJD-UHFFFAOYSA-N,CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O,CHEBI:31003,,HMDB0030925;HMDB30925,LMFA01010030,Q420731,10471,10039,DTXSID7075052
WJ000737,hexanoic acid,C6H12O2,"InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)",FUZZWVXGSFPDMH-UHFFFAOYSA-N,CCCCCC(O)=O,CHEBI:17120;CHEBI:30776,C01585,HMDB0000535;HMDB00535;HMDB61883;HMDB0061883,LMFA01010006,Q422597,8892,8552,DTXSID7021607
WJ000738,octanoic acid,C8H16O2,"InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)",WWZKQHOCKIZLMA-UHFFFAOYSA-N,CCCCCCCC(O)=O,CHEBI:25646;CHEBI:28837,C06423,HMDB00482;HMDB62511;HMDB0000482;HMDB0062511,LMFA01010008,Q409564,119389;379,370,DTXSID3021645
WJ000739,FAD,C27H33N9O15P2,"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)/t14-,15+,16+,19-,20+,21+,26+/m0/s1",VWWQXMAJTJZDQX-UYBVJOGSSA-N,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2,CHEBI:16238,C00016,HMDB0001248;HMDB01248,,Q28746,643975,559059,DTXSID4048307
WJ000740,FADH2,C27H35N9O15P2,"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",YPZRHBJKEMOYQH-UYBVJOGSSA-N,CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=C(N2)C(=O)NC(=O)N1,CHEBI:17877,C01352,HMDB01197;HMDB0001197,,Q27102690,446013,393487,
WJ000741,formaldehyde,CH2O,InChI=1S/CH2O/c1-2/h1H2,WSFSSNUMVMOOMR-UHFFFAOYSA-N,[H]C([H])=O,CHEBI:16842,C00067,HMDB0001426;HMDB01426,,Q161210,712,692,DTXSID7020637
WJ000742,"beta-D-fructofuranose 1,6-bisphosphate",C6H14O12P2,"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)/t3-,4-,5+,6-/m1/s1",RNBGYGVWRKECFJ-ARQDHWQXSA-N,O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O,CHEBI:40595;CHEBI:28013,C05378;C00354,HMDB60444;HMDB0060444,,Q414945,10267;172313,393165;9848,DTXSID0048347
WJ000743,fucosterol,C29H48O,"InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1",OSELKOCHBMDKEJ-JUGJNGJRSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\C(=C/C)C(C)C,CHEBI:27865,C08817,,LMST01040146,Q15410971,5281328,4444705,
WJ000744,N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide,C8H15N2O9P,"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)/t4-,6-,7-,8?/m1/s1",VDXLUNDMVKSKHO-ZRTZXPPTSA-N,O[C@H]1[C@@H](O)C(NC(=O)CNC=O)O[C@@H]1COP(O)(O)=O,,,,,,,,
WJ000745,FMN,C17H21N4O9P,"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)/t11-,12+,14-/m0/s1",FVTCRASFADXXNN-SCRDCRAPSA-N,CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C3=NC(=O)NC(=O)C3=NC2=C1,CHEBI:42587;CHEBI:17621,C00061,HMDB0001520;HMDB01520,,Q376061,643976,559060,DTXSID8023559
WJ000746,folic acid,C19H19N7O6,"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)/t12-/m0/s1",OVBPIULPVIDEAO-LBPRGKRZSA-N,NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C=N2)C(=O)N1,CHEBI:27470;CHEBI:42610,C00504,HMDB0000121;HMDB00121,,Q127060,6037,5815,DTXSID0022519
WJ000747,formic acid,CH2O2,"InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)",BDAGIHXWWSANSR-UHFFFAOYSA-N,[H]C(O)=O,CHEBI:42460;CHEBI:30751,C00058,HMDB00142;HMDB0000142,LMFA01010040,Q161233,284,278,DTXSID2024115
WJ000748,Formylisoglutamine,C6H10N2O4,"InChI=1S/C6H10N2O4/c7-6(12)4(8-3-9)1-2-5(10)11/h3-4H,1-2H2,(H2,7,12)(H,8,9)(H,10,11)",WLTXUKAQFBTJKS-UHFFFAOYSA-N,C(CC(=O)O)C(C(=N)O)N=CO,CHEBI:80654,C16674,,,Q27149701,20802017,30791776,
WJ000749,N-formimidoyl-L-glutamic acid,C6H10N2O4,"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)/t4-/m0/s1",NRXIKWMTVXPVEF-BYPYZUCNSA-N,[H]C(=N)N[C@@H](CCC(O)=O)C(O)=O,CHEBI:7274,C00439,HMDB0000854;HMDB00854,,Q2823262,439233,388370,
WJ000750,2-formamido-N(1)-(5-phospho-D-ribosyl)acetamidine,C8H16N3O8P,"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)/t4-,6-,7-,8?/m1/s1",PMCOGCVKOAOZQM-ZRTZXPPTSA-N,O[C@H]1[C@@H](O)C(NC(=N)CNC=O)O[C@@H]1COP(O)(O)=O,,,,,,,,
WJ000751,5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide,C10H15N4O9P,"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)/t4-,6-,7-,10-/m1/s1",ABCOOORLYAOBOZ-KQYNXXCUSA-N,[H]C(=O)NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(N)=O,CHEBI:18381,C04734,HMDB01439;HMDB0001439,,Q2817110,166760,145893,DTXSID50156384
WJ000752,"2-trans,6-trans-farnesyl diphosphate",C15H28O7P2,"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)/b14-9+,15-11+",VWFJDQUYCIWHTN-YFVJMOTDSA-N,CC(C)=CCC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,CHEBI:17407,C00448,HMDB0000961;HMDB00961,LMPR0103010002,Q2699676,445713,393270,
WJ000753,beta-D-fructofuranose,C6H12O6,"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",RFSUNEUAIZKAJO-ARQDHWQXSA-N,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,CHEBI:47693;CHEBI:28645,C02336;C00795,HMDB0000660;HMDB00660,,Q27103808,92092;439709,83142;388775,DTXSID5023081
WJ000754,Beta-L-fucose 1-phosphate,C6H13O8P,"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)/t2-,3+,4+,5-,6+/m0/s1",PTVXQARCLQPGIR-SXUWKVJYSA-N,C[C@@H]1O[C@H](OP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O,CHEBI:12387,C02985,,,Q27108953,65369,58841,
WJ000755,fumaric acid,C4H4O4,"InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+",VZCYOOQTPOCHFL-OWOJBTEDSA-N,OC(=O)\C=C\C(O)=O,CHEBI:18012,C00122,HMDB0000134;HMDB00134,,Q139857,444972,10197150,DTXSID3021518
WJ000756,beta-D-glucose 1-phosphate,C6H13O9P,"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",HXXFSFRBOHSIMQ-DVKNGEFBSA-N,OC[C@H]1O[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O,CHEBI:16218;CHEBI:10398,C00663,,,Q27098590,122250,109022,
WJ000757,alpha-D-glucose 1-phosphate,C6H13O9P,"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",HXXFSFRBOHSIMQ-VFUOTHLCSA-N,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O,CHEBI:29042,C00103,,,Q418865,65533,58977,DTXSID90889321
WJ000758,(Glucosyl)2(mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol,C162H270N2O72P2,"InChI=1S/C162H270N2O72P2/c1-80(2)35-20-36-81(3)37-21-38-82(4)39-22-40-83(5)41-23-42-84(6)43-24-44-85(7)45-25-46-86(8)47-26-48-87(9)49-27-50-88(10)51-28-52-89(11)53-29-54-90(12)55-30-56-91(13)57-31-58-92(14)59-32-60-93(15)61-33-62-94(16)63-34-64-95(17)65-66-211-237(205,206)236-238(207,208)235-151-112(164-97(19)177)125(190)140(108(77-175)222-151)225-150-111(163-96(18)176)124(189)141(107(76-174)221-150)226-158-139(204)145(230-161-149(132(197)119(184)103(72-170)219-161)234-162-148(131(196)118(183)104(73-171)220-162)233-157-138(203)143(121(186)106(75-173)216-157)228-156-137(202)142(120(185)105(74-172)215-156)227-153-133(198)126(191)113(178)98(67-165)212-153)123(188)110(224-158)78-209-152-136(201)144(229-160-147(130(195)117(182)102(71-169)218-160)232-155-135(200)128(193)115(180)100(69-167)214-155)122(187)109(223-152)79-210-159-146(129(194)116(181)101(70-168)217-159)231-154-134(199)127(192)114(179)99(68-166)213-154/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,95,98-162,165-175,178-204H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-79H2,1-19H3,(H,163,176)(H,164,177)(H,205,206)(H,207,208)/b81-37+,82-39+,83-41+,84-43+,85-45+,86-47+,87-49+,88-51+,89-53+,90-55+,91-57+,92-59+,93-61+,94-63+/t95?,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126+,127+,128+,129+,130+,131+,132+,133-,134+,135+,136+,137-,138+,139+,140-,141-,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153-,154-,155-,156-,157-,158+,159+,160-,161-,162-/m1/s1",AALOZWVGCDVETJ-XSNQQLSJSA-N,CC(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)NC(=O)C)O)NC(=O)C,,,HMDB0012117;HMDB12117,,,53481369,,
WJ000759,glyceraldehyde 3-phosphate,C3H7O6P,"InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)",LXJXRIRHZLFYRP-UHFFFAOYSA-N,[H]C(=O)C(O)COP(O)(O)=O,CHEBI:17138,C00661,HMDB0001112;HMDB01112,,Q794810,729,709,DTXSID40861814
WJ000760,choline alfoscerate,C8H21NO6P,"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",SUHOQUVVVLNYQR-MRVPVSSYSA-N,C[N+](C)(C)CCOP([O-])(=O)OC[C@H](O)CO,CHEBI:16870,C00670,,,Q28529699,657272,571409,
WJ000761,sn-glycero-3-phosphoethanolamine zwitterion,C5H14NO6P,"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",JZNWSCPGTDBMEW-YFKPBYRVSA-N,[H][C@](O)(CO)COP(O)(=O)OCCN,CHEBI:16929,C01233,HMDB59660;HMDB0059660,,Q27094420,5459861,4573608,
WJ000762,alpha-D-glucose 6-phosphate,C6H13O9P,"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",NBSCHQHZLSJFNQ-DVKNGEFBSA-N,O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O,CHEBI:17665,C00668,,,Q27102512,439284,388417,DTXSID10889328
WJ000763,beta-D-glucose 6-phosphate,C6H13O9P,"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",NBSCHQHZLSJFNQ-VFUOTHLCSA-N,O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O,CHEBI:17719,C01172,HMDB03498;HMDB0003498,,Q27102553,439427,388538,
WJ000764,beta-D-galactose,C6H12O6,"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",WQZGKKKJIJFFOK-FPRJBGLDSA-N,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,CHEBI:10384;CHEBI:10383;CHEBI:27667;CHEBI:42776,C00962;C00602,HMDB0003449;HMDB03449,,Q27103248,439353,388476,
WJ000765,alpha-D-galactose 1-phosphate,C6H13O9P,"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",HXXFSFRBOHSIMQ-FPRJBGLDSA-N,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@H]1O,CHEBI:16077;CHEBI:17973,C00446;C00103,HMDB0000645;HMDB00645,,Q3082858,123912;439165,388311;110443,DTXSID80177082
WJ000766,galactitol,C6H14O6,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-",FBPFZTCFMRRESA-GUCUJZIJSA-N,OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,CHEBI:16813,C01697,HMDB00107;HMDB0000107,,Q420367,11850,11357,DTXSID1046051
WJ000767,beta-D-glucosamine,C6H13NO5,"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",MSWZFWKMSRAUBD-QZABAPFNSA-N,N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O,CHEBI:28393,C08349,HMDB0030091;HMDB30091,,Q27077039,441477,390201,DTXSID4023098
WJ000768,2-amino-2-deoxy-D-glucopyranose 6-phosphate,C6H14NO8P,"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)/t2-,3-,4-,5-,6?/m1/s1",XHMJOUIAFHJHBW-IVMDWMLBSA-N,N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O,CHEBI:47987,C00352,,,Q27120892,440997,389822,
WJ000769,N(1)-(5-phospho-D-ribosyl)glycinamide,C7H15N2O8P,"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)/t3-,5-,6-,7?/m1/s1",OBQMLSFOUZUIOB-HJZCUYRDSA-N,NCC(=O)NC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,,,,,,,,
WJ000770,glycolaldehyde,C2H4O2,"InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2",WGCNASOHLSPBMP-UHFFFAOYSA-N,[H]C(=O)CO,CHEBI:17071,C00266,HMDB03344;HMDB0003344,,Q899877,756,736,DTXSID4074693
WJ000771,glycocholic acid,C26H43NO6,"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",RFDAIACWWDREDC-FRVQLJSFSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC(O)=O,CHEBI:42804;CHEBI:17687,C01921,HMDB00138,LMST05030001,Q2701638,10140,9734,DTXSID2047436
WJ000772,gamma-glutamyl-beta-cyanoalanine,C9H13N3O5,"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)/t5-,6-/m0/s1",QUAADUAOVLZBJM-WDSKDSINSA-N,N[C@@H](CCC(=O)N[C@@H](CC#N)C(O)=O)C(O)=O,CHEBI:10565,C05711,HMDB60478;HMDB0060478,,Q27108658,53297342,29368601,DTXSID60936331
WJ000773,GDP,C10H15N5O11P2,"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)/t3-,5-,6-,9-/m1/s1",QGWNDRXFNXRZMB-UUOKFMHZSA-N,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,CHEBI:17552,C00035,HMDB0001201;HMDB01201,,Q422582,8977,8630,DTXSID90163254
WJ000774,GDP-4-dehydro-6-deoxy-alpha-D-mannose,C16H23N5O15P2,"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)/t4-,5-,8-,9+,10-,11+,14-,15-/m1/s1",PNHLMHWWFOPQLK-BKUUWRAGSA-N,C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=C(N)NC3=O)[C@@H](O)[C@@H](O)C1=O,CHEBI:16955;CHEBI:5214,C01222,HMDB0001346;HMDB01346,,Q27102151,439446,388554,
WJ000775,GDP-L-fucose,C16H25N5O15P2,"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)/t4-,5+,7+,8+,9+,10+,11-,14+,15?/m0/s1",LQEBEXMHBLQMDB-QIXZNPMTSA-N,C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=C(N)NC3=O)[C@@H](O)[C@H](O)[C@@H]1O,CHEBI:17009,C00325,HMDB01095;HMDB0001095,,Q27077785,439211,388350,
WJ000776,GDP-D-glucose,C16H25N5O16P2,"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)/t4-,5-,7-,8-,9+,10-,11-,14-,15?/m1/s1",MVMSCBBUIHUTGJ-ZQVROCHNSA-N,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1,CHEBI:17383,,,,Q27102347,16738679,20570090,
WJ000777,GDP-D-mannose,C16H25N5O16P2,"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)/t4-,5-,7-,8-,9+,10-,11+,14-,15?/m1/s1",MVMSCBBUIHUTGJ-XIYWIPNQSA-N,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1,CHEBI:84880,,,,Q27158146,11050293,9225458,
WJ000778,"2-trans,6-trans,10-trans-geranylgeranyl diphosphate",C20H36O7P2,"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)/b18-11+,19-13+,20-15+",OINNEUNVOZHBOX-QIRCYJPOSA-N,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,CHEBI:48861,C00353,HMDB0004486;HMDB04486,LMPR0104010001,Q774795,447277,394418,
WJ000779,gamma-Glutamyl-Se-methylselenocysteine,C9H16N2O5Se,"InChI=1S/C9H16N2O5Se/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)",IEFQLTYCECVOLL-UHFFFAOYSA-N,C[Se]CC(C(=O)O)N=C(CCC(C(=O)O)N)O,,C05695,HMDB10716;HMDB0010716,,,440760,389629,
WJ000780,"D-glucurono-6,3-lactone",C6H8O6,"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",UYUXSRADSPPKRZ-SKNVOMKLSA-N,[H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)C=O,,,,,Q28529701,92283,,
WJ000781,alpha-D-glucose,C6H12O6,"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",WQZGKKKJIJFFOK-DVKNGEFBSA-N,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,CHEBI:17925;CHEBI:10242;CHEBI:40557,C00267,HMDB03345;HMDB0003345,,Q23905965,79025,71358,DTXSID30197710
WJ000782,beta-D-glucose,C6H12O6,"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",WQZGKKKJIJFFOK-VFUOTHLCSA-N,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,CHEBI:10397;CHEBI:15903;CHEBI:41140,C00221,HMDB00516;HMDB0000516,,Q23905968,64689,58238,DTXSID70883403
WJ000783,D-gluconic acid,C6H12O7,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1",RGHNJXZEOKUKBD-SQOUGZDYSA-N,OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O,CHEBI:33198,C00257,HMDB00625;HMDB0000625,,Q407569,10690,10240,DTXSID8027169
WJ000784,D-glucaric acid,C6H10O8,"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)/t1-,2-,3-,4+/m0/s1",DSLZVSRJTYRBFB-LLEIAEIESA-N,O[C@@H]([C@H](O)[C@@H](O)C(O)=O)[C@H](O)C(O)=O,CHEBI:5393;CHEBI:16002;CHEBI:14311,C00818,HMDB0000663;HMDB29881;HMDB00663,LMFA01170108,Q424636,33037,30577,DTXSID60859455
WJ000785,L-glutamine,C5H10N2O3,"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",ZDXPYRJPNDTMRX-VKHMYHEASA-N,N[C@@H](CCC(N)=O)C(O)=O,CHEBI:18050;CHEBI:42812;CHEBI:21308;CHEBI:5432,C00064,HMDB0000641;HMDB00641,,Q181619,5961,5746,DTXSID1023100
WJ000786,L-glutamic acid,C5H9NO4,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",WHUUTDBJXJRKMK-VKHMYHEASA-N,N[C@@H](CCC(O)=O)C(O)=O,CHEBI:21301;CHEBI:16015,C00025,HMDB0000148;HMDB00148,,Q26995161,33032,30572,DTXSID5020659
WJ000787,Glu-Gly-Phe,C16H21N3O6,"InChI=1S/C16H21N3O6/c17-11(6-7-14(21)22)15(23)18-9-13(20)19-12(16(24)25)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,17H2,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/t11-,12-/m0/s1",ZWQVYZXPYSYPJD-RYUDHWBXSA-N,N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O,CHEBI:140739,,,,,,,
WJ000788,L-gamma-glutamyl phosphate,C5H10NO7P,"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)/t3-/m0/s1",PJRXVIJAERNUIP-VKHMYHEASA-N,N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O,CHEBI:17798,C03287,HMDB0001228;HMDB01228,,Q27102623,193475,167893,DTXSID70157616
WJ000789,L-glutamic 5-semialdehyde,C5H9NO3,"InChI=1S/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1",KABXUUFDPUOJMW-BYPYZUCNSA-N,[H]C(=O)CC[C@H](N)C(O)=O,CHEBI:17232,C01165,HMDB0002104;HMDB02104,,Q2823261,193305,167744,
WJ000790,gamma-Glu-Ala,C8H14N2O5,"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)/t4-,5-/m0/s1",WQXXXVRAFAKQJM-WHFBIAKZSA-N,C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O,CHEBI:50619,C03740,HMDB06248;HMDB0006248,,Q27122149,440103,389104,DTXSID80974270
WJ000791,L-gamma-glutamyl-L-cysteine,C8H14N2O5S,"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)/t4-,5-/m0/s1",RITKHVBHSGLULN-WHFBIAKZSA-N,N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O,CHEBI:17515;CHEBI:39975,C00669,HMDB0001049;HMDB01049,,Q288236,123938,110467,DTXSID90212978
WJ000792,trans-4-carboxybut-2-enoyl-CoA,C26H40N7O19P3S,"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)/b5-3+/t14-,19-,20-,21+,25-/m1/s1",URTLOTISFJPPOU-DEGQQWIJSA-N,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C=C\CC(O)=O,CHEBI:15497,C02411,,LMFA07050389,Q3109306,9543050,7822023,
WJ000793,glutaurine,C7H14N2O6S,"InChI=1S/C7H14N2O6S/c8-5(7(11)12)1-2-6(10)9-3-4-16(13,14)15/h5H,1-4,8H2,(H,9,10)(H,11,12)(H,13,14,15)/t5-/m0/s1",WGXUDTHMEITUBO-YFKPBYRVSA-N,N[C@@H](CCC(=O)NCCS(O)(=O)=O)C(O)=O,,C05844,HMDB04195;HMDB0004195,,Q5572470,68759,62003,DTXSID20205030
WJ000794,glutaryl-CoA,C26H42N7O19P3S,"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)/t14-,19-,20-,21+,25-/m1/s1",SYKWLIJQEHRDNH-CKRMAKSASA-N,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC(O)=O,CHEBI:15524;CHEBI:5436,C00527,HMDB01339,LMFA07050324,Q3066713,3081383,2338999,
WJ000795,glyoxylic acid,C2H2O3,"InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)",HHLFWLYXYJOTON-UHFFFAOYSA-N,[H]C(=O)C(O)=O,CHEBI:16891;CHEBI:42767,C00048,HMDB00119;HMDB0000119,,Q413552,760,740,DTXSID5021594
WJ000796,glycine,C2H5NO2,"InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)",DHMQDGOQFOQNFH-UHFFFAOYSA-N,NCC(O)=O,CHEBI:15428;CHEBI:57305;CHEBI:42964,C00037,HMDB0000123;HMDB00123,,Q620730,750,730,DTXSID9020667
WJ000797,D-glyceraldehyde,C3H6O3,"InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1",MNQZXJOMYWMBOU-VKHMYHEASA-N,[H]C(=O)[C@H](O)CO,CHEBI:17378,C00577,,,Q27093516,79014,71347,DTXSID70196464
WJ000798,glycine betaine,C5H11NO2,"InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3",KWIUHFFTVRNATP-UHFFFAOYSA-N,C[N+](C)(C)CC([O-])=O,CHEBI:17750,C00719,HMDB00043;HMDB0000043,,Q10860583,247,242,DTXSID8022666
WJ000799,glycerol,C3H8O3,"InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2",PEDCQBHIVMGVHV-UHFFFAOYSA-N,OCC(O)CO,CHEBI:42998;CHEBI:17754,C00116,HMDB00131;HMDB0000131,,Q132501,753,733,DTXSID9020663
WJ000800,D-glyceric acid,C3H6O4,"InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1",RBNPOMFGQQGHHO-UWTATZPHSA-N,OC[C@@H](O)C(O)=O,CHEBI:32398,C00258,HMDB0000139;HMDB00139,,Q27104217,439194,388334,
WJ000801,sn-glycerol 3-phosphate,C3H9O6P,"InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1",AWUCVROLDVIAJX-GSVOUGTGSA-N,OC[C@@H](O)COP(O)(O)=O,CHEBI:15978,C00093,HMDB0000126;HMDB00126,,Q27093499,439162,388308,DTXSID5048346
WJ000802,glycolic acid,C2H4O3,"InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)",AEMRFAOFKBGASW-UHFFFAOYSA-N,OCC(O)=O,CHEBI:17497,C03547;C00160,HMDB0000115;HMDB00115,LMFA01050148,Q409373,757,737,DTXSID0025363
WJ000803,glycyl-glycyl-glycine,C6H11N3O4,"InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)",XKUKSGPZAADMRA-UHFFFAOYSA-N,NCC(=O)NCC(=O)NCC(O)=O,CHEBI:63961,,HMDB0029419;HMDB29419,,Q27132936,11161,10688,DTXSID80204140
WJ000804,guanosine 5'-monophosphate,C10H14N5O8P,"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)/t3-,5-,6-,9-/m1/s1",RQFCJASXJCIDSX-UUOKFMHZSA-N,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,CHEBI:17345,C00144,HMDB0001397;HMDB01397,,Q422473,6804,6545,DTXSID9044295
WJ000805,geranyl diphosphate,C10H20O7P2,"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)/b10-7+",GVVPGTZRZFNKDS-JXMROGBWSA-N,CC(C)=CCC\C(C)=C\COP(O)(=O)OP(O)(O)=O,CHEBI:17211,C00341;C05847,HMDB01285;HMDB0001285,LMPR0102010001,Q418125,445995,393471,
WJ000806,guanosine,C10H13N5O5,"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",NYHBQMYGNKIUIF-UUOKFMHZSA-N,NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1,CHEBI:42847;CHEBI:16750,C00387,HMDB0000133;HMDB00133,,Q422462,6802,6544,DTXSID00893055
WJ000807,glutathione disulfide,C20H32N6O12S2,"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)/t9-,10-,11-,12-/m0/s1",YPZRWBKMTBYPTK-BJDJZHNGSA-N,N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O,CHEBI:17858,C00127,HMDB03337;HMDB00656,,Q3324838,65359,58835,DTXSID5048972
WJ000808,glutathione,C10H17N3O6S,"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)/t5-,6-/m0/s1",RWSXRVCMGQZWBV-WDSKDSINSA-N,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O,CHEBI:16856,C00051;C02471,HMDB0000125;HMDB00125,,Q116907,124886,111188,DTXSID6023101
WJ000809,GTP,C10H16N5O14P3,"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)/t3-,5-,6-,9-/m1/s1",XKMLYUALXHKNFT-UUOKFMHZSA-N,NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1,CHEBI:15996,C00044,HMDB01273;HMDB0001273,,Q392227,6830,6569,DTXSID30235328
WJ000810,guanine,C5H5N5O,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",UYTPUPDQBNUYGX-UHFFFAOYSA-N,NC1=NC2=C(N=CN2)C(=O)N1,CHEBI:16235,C00242,HMDB0000132;HMDB00132,,Q169313,764,744,DTXSID9052476
WJ000811,"L-gulono-1,4-lactone",C6H10O6,"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",SXZYCXMUPBBULW-SKNVOMKLSA-N,[H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)CO,CHEBI:58198;CHEBI:17587;CHEBI:6236,C01040,HMDB03466;HMDB0003466,,Q27102468,439373,388493,DTXSID00331407
WJ000812,L-gulonic acid,C6H12O7,"InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m0/s1",RGHNJXZEOKUKBD-QTBDOELSSA-N,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O,CHEBI:16154,C00800,,,Q27453292,6857417,5256756,
WJ000813,carbonic acid,H2CO3,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",BVKZGUZCCUSVTD-UHFFFAOYSA-N,OC(O)=O,CHEBI:28976,C01353,HMDB0000595;HMDB0003538;HMDB03538;HMDB31453;HMDB0031453;HMDB00595,,Q104334,767,747,DTXSID9043801
WJ000814,water,H2O,InChI=1S/H2O/h1H2,XLYOFNOQVPJJNP-UHFFFAOYSA-N,[H]O[H],CHEBI:15377,C00001,HMDB02111;HMDB0002111,,Q283,962,937,DTXSID6026296
WJ000815,hydrogen peroxide,H2O2,InChI=1S/H2O2/c1-2/h1-2H,MHAJPDPJQMAIIY-UHFFFAOYSA-N,[H]OO[H],CHEBI:16240;CHEBI:44812,C00027,HMDB03125;HMDB0003125,,Q171877,784,763,DTXSID2020715
WJ000816,hydrogen sulfide,H2S,InChI=1S/H2S/h1H2,RWSOTUBLDIXVET-UHFFFAOYSA-N,[H]S[H],CHEBI:16136,C00283,HMDB0003276;HMDB03276,,Q170591,402,391,DTXSID4024149
WJ000817,hbas#3,C22H30O8,"InChI=1S/C22H30O8/c1-14(7-5-3-4-6-8-20(25)26)28-22-18(24)13-19(15(2)29-22)30-21(27)16-9-11-17(23)12-10-16/h6,8-12,14-15,18-19,22-24H,3-5,7,13H2,1-2H3,(H,25,26)/b8-6+/t14-,15+,18-,19-,22-/m1/s1",BJUWUCQZCXGYNI-NJABCCJWSA-N,C[C@H](CCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CC=C(O)C=C1,CHEBI:79321,,,,Q27148375,86289885,31150821,
WJ000818,carbonic acid,CH2O3,"InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)",BVKZGUZCCUSVTD-UHFFFAOYSA-N,OC(O)=O,CHEBI:28976,C01353,HMDB0000595;HMDB0003538;HMDB03538;HMDB31453;HMDB0031453;HMDB00595,,Q104334,767,747,DTXSID9043801
WJ000819,L-homocysteine,C4H9NO2S,"InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1",FFFHZYDWPBMWHY-VKHMYHEASA-N,N[C@@H](CCS)C(O)=O,CHEBI:17588,C00155,,,Q26992833,,,DTXSID3041039
WJ000820,all-trans-hexaprenyl diphosphate,C30H52O7P2,"InChI=1S/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H2,31,32,33)/b26-15+,27-17+,28-19+,29-21+,30-23+",NGFSMHKFTZROKJ-MMSZMYIBSA-N,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,CHEBI:17528;CHEBI:22343;CHEBI:10192,C01230,HMDB12188;HMDB0012188,LMPR03030005,Q27102439,5280413,4444089,
WJ000821,homogentisic acid,C8H8O4,"InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)",IGMNYECMUMZDDF-UHFFFAOYSA-N,OC(=O)CC1=CC(O)=CC=C1O,CHEBI:44747,C00544,HMDB00130;HMDB0000130,,Q416054,780,759,DTXSID1060005
WJ000822,L-histidine,C6H9N3O2,"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",HNDVDQJCIGZPNO-YFKPBYRVSA-N,N[C@@H](CC1=CNC=N1)C(O)=O,CHEBI:15971,C00135,HMDB0000177;HMDB00177,,Q485277,6274,6038,DTXSID9023126
WJ000823,histamine,C5H9N3,"InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)",NTYJJOPFIAHURM-UHFFFAOYSA-N,NCCC1=CNC=N1,CHEBI:43187;CHEBI:18295,C00388,HMDB0000870;HMDB0060263;HMDB60263;HMDB00870,,Q61233,774,753,DTXSID4023125
WJ000824,3-hydroxy-L-kynurenine,C10H12N2O4,"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",VCKPUUFAIGNJHC-LURJTMIESA-N,N[C@@H](CC(=O)C1=CC=CC(O)=C1N)C(O)=O,CHEBI:17380,C03227,HMDB11631;HMDB0011631,,Q27102345,11811,11318,
WJ000825,(3S)-3-hydroxy-3-methylglutaryl-CoA,C27H44N7O20P3S,"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)/t14-,19-,20-,21+,25-,27+/m1/s1",CABVTRNMFUVUDM-VRHQGPGLSA-N,C[C@](O)(CC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15467,C00356,,LMFA07050116,Q307532,445127,392859,
WJ000826,S-(hydroxymethyl)glutathione,C11H19N3O7S,"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)/t6-,7-/m0/s1",PIUSLWSYOYFRFR-BQBZGAKWSA-N,N[C@@H](CCC(=O)N[C@@H](CSCO)C(=O)NCC(O)=O)C(O)=O,CHEBI:48926,C14180,HMDB0004662;HMDB04662,,Q27104637,447123,394301,
WJ000827,homovanillic acid,C9H10O4,"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)",QRMZSPFSDQBLIX-UHFFFAOYSA-N,COC1=CC(CC(O)=O)=CC=C1O,CHEBI:545959,C05582,HMDB00118;HMDB0000118,,Q903566,1738,1675,DTXSID5059791
WJ000828,tetrahydropteroyltri-L-glutamic acid,C29H37N9O12,"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",RXWVHRYZTWZATH-XSLAGTTESA-N,NC1=NC2=C(N[C@@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)CN2)C(=O)N1,CHEBI:17420,C04144,HMDB12290;HMDB0012290,,Q27102390,16722112,17625690,
WJ000829,3-hydroxypyruvic acid,C3H4O4,"InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)",HHDDCCUIIUWNGJ-UHFFFAOYSA-N,OCC(=O)C(O)=O,CHEBI:30841,C00168,HMDB01352;HMDB0001352,,Q2823271,964,939,DTXSID40149588
WJ000830,hypoxanthine,C5H4N4O,"InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)",FDGQSTZJBFJUBT-UHFFFAOYSA-N,O=C1NC=NC2=C1NC=N2,CHEBI:17368;CHEBI:43237,C00262,HMDB0000157;HMDB00157,,Q410305,790,768,DTXSID8045983
WJ000831,hexadecanal,C16H32O,"InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3",NIOYUNMRJMEDGI-UHFFFAOYSA-N,[H]C(=O)CCCCCCCCCCCCCCC,CHEBI:17600,C00517,HMDB0001551;HMDB01551,LMFA06000088,Q27077978,984,959,DTXSID5042039
WJ000832,hypotaurine,C2H7NO2S,"InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)",VVIUBCNYACGLLV-UHFFFAOYSA-N,NCCS(O)=O,CHEBI:16668,C00519,HMDB00965;HMDB0000965,,Q3138539,107812,96959,DTXSID8075380
WJ000833,isobutyryl-CoA,C25H42N7O17P3S,"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)/t14-,17-,18-,19+,23-/m1/s1",AEWHYWSPVRZHCT-NDZSKPAWSA-N,CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15479,C00630,HMDB0001243;HMDB01243,LMFA07050331,Q27458896,3036931,2300823,
WJ000834,ibha#1-CoA,C43H63N8O23P3S,"InChI=1S/C43H63N8O23P3S/c1-22(69-42-28(53)16-29(23(2)70-42)72-41(59)26-17-47-27-8-6-5-7-25(26)27)9-10-24(52)15-32(55)78-14-13-45-31(54)11-12-46-39(58)36(57)43(3,4)19-68-77(65,66)74-76(63,64)67-18-30-35(73-75(60,61)62)34(56)40(71-30)51-21-50-33-37(44)48-20-49-38(33)51/h5-8,17,20-24,28-30,34-36,40,42,47,52-53,56-57H,9-16,18-19H2,1-4H3,(H,45,54)(H,46,58)(H,63,64)(H,65,66)(H2,44,48,49)(H2,60,61,62)/t22-,23+,24+,28-,29-,30-,34-,35-,36+,40-,42-/m1/s1",WNXBVMICOIERTJ-CWMTUADPSA-N,C[C@H](CC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=CC=CC=C12,,,,,,,,
WJ000835,ibha#10-CoA,C45H67N8O23P3S,"InChI=1S/C45H67N8O23P3S/c1-24(71-44-30(55)18-31(25(2)72-44)74-43(61)28-19-49-29-12-8-7-11-27(28)29)9-5-6-10-26(54)17-34(57)80-16-15-47-33(56)13-14-48-41(60)38(59)45(3,4)21-70-79(67,68)76-78(65,66)69-20-32-37(75-77(62,63)64)36(58)42(73-32)53-23-52-35-39(46)50-22-51-40(35)53/h7-8,11-12,19,22-26,30-32,36-38,42,44,49,54-55,58-59H,5-6,9-10,13-18,20-21H2,1-4H3,(H,47,56)(H,48,60)(H,65,66)(H,67,68)(H2,46,50,51)(H2,62,63,64)/t24-,25+,26-,30-,31-,32-,36-,37-,38+,42-,44-/m1/s1",LSCDFIADHBRYKJ-UPEGYMQDSA-N,C[C@H](CCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=CC=CC=C12,,,,,,,,
WJ000836,ibka#10-CoA,C45H65N8O23P3S,"InChI=1S/C45H65N8O23P3S/c1-24(71-44-30(55)18-31(25(2)72-44)74-43(61)28-19-49-29-12-8-7-11-27(28)29)9-5-6-10-26(54)17-34(57)80-16-15-47-33(56)13-14-48-41(60)38(59)45(3,4)21-70-79(67,68)76-78(65,66)69-20-32-37(75-77(62,63)64)36(58)42(73-32)53-23-52-35-39(46)50-22-51-40(35)53/h7-8,11-12,19,22-25,30-32,36-38,42,44,49,55,58-59H,5-6,9-10,13-18,20-21H2,1-4H3,(H,47,56)(H,48,60)(H,65,66)(H,67,68)(H2,46,50,51)(H2,62,63,64)/t24-,25+,30-,31-,32-,36-,37-,38+,42-,44-/m1/s1",YHTZDIASWWKJAA-RLQXDCPZSA-N,C[C@H](CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=CC=CC=C12,,,,,,,,
WJ000837,ibka#1-CoA,C43H61N8O23P3S,"InChI=1S/C43H61N8O23P3S/c1-22(69-42-28(53)16-29(23(2)70-42)72-41(59)26-17-47-27-8-6-5-7-25(26)27)9-10-24(52)15-32(55)78-14-13-45-31(54)11-12-46-39(58)36(57)43(3,4)19-68-77(65,66)74-76(63,64)67-18-30-35(73-75(60,61)62)34(56)40(71-30)51-21-50-33-37(44)48-20-49-38(33)51/h5-8,17,20-23,28-30,34-36,40,42,47,53,56-57H,9-16,18-19H2,1-4H3,(H,45,54)(H,46,58)(H,63,64)(H,65,66)(H2,44,48,49)(H2,60,61,62)/t22-,23+,28-,29-,30-,34-,35-,36+,40-,42-/m1/s1",WIFZENHCNXNMNE-GBBHQLJZSA-N,C[C@H](CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=CC=CC=C12,,,,,,,,
WJ000838,indole-3-carboxylic acid,C9H7NO2,"InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)",KMAKOBLIOCQGJP-UHFFFAOYSA-N,OC(=O)c1c[nH]c2ccccc12,CHEBI:24809,,,,,,,DTXSID50227886
WJ000839,icas#1,C22H29NO7,"InChI=1S/C22H29NO7/c1-13(7-3-6-10-20(25)26)28-22-18(24)11-19(14(2)29-22)30-21(27)16-12-23-17-9-5-4-8-15(16)17/h4-5,8-9,12-14,18-19,22-24H,3,6-7,10-11H2,1-2H3,(H,25,26)/t13-,14+,18-,19-,22-/m1/s1",YRHZEQFAUQVVIS-FAVIALCLSA-N,C[C@H](CCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=C1C=CC=C2,CHEBI:79051,,,,Q27148115,86289738,31150671,
WJ000840,icas#10,C24H33NO7,"InChI=1S/C24H33NO7/c1-15(9-5-3-4-6-12-22(27)28)30-24-20(26)13-21(16(2)31-24)32-23(29)18-14-25-19-11-8-7-10-17(18)19/h7-8,10-11,14-16,20-21,24-26H,3-6,9,12-13H2,1-2H3,(H,27,28)/t15-,16+,20-,21-,24-/m1/s1",VGNCAEIQHDZOLI-JTCUFRKPSA-N,C[C@H](CCCCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=C1C=CC=C2,CHEBI:79029,,,,Q27148103,86289731,31150667,
WJ000841,icas#10-CoA,C45H67N8O22P3S,"InChI=1S/C45H67N8O22P3S/c1-25(70-44-30(54)19-31(26(2)71-44)73-43(60)28-20-49-29-13-10-9-12-27(28)29)11-7-5-6-8-14-34(56)79-18-17-47-33(55)15-16-48-41(59)38(58)45(3,4)22-69-78(66,67)75-77(64,65)68-21-32-37(74-76(61,62)63)36(57)42(72-32)53-24-52-35-39(46)50-23-51-40(35)53/h9-10,12-13,20,23-26,30-32,36-38,42,44,49,54,57-58H,5-8,11,14-19,21-22H2,1-4H3,(H,47,55)(H,48,59)(H,64,65)(H,66,67)(H2,46,50,51)(H2,61,62,63)/t25-,26+,30-,31-,32-,36-,37-,38+,42-,44-/m1/s1",NQNMAMRMBCYUJB-XOGJWDHUSA-N,C[C@H](CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=CC=CC=C12,,,,,,,,
WJ000842,icas#1-CoA,C43H63N8O22P3S,"InChI=1S/C43H63N8O22P3S/c1-23(68-42-28(52)17-29(24(2)69-42)71-41(58)26-18-47-27-11-7-6-10-25(26)27)9-5-8-12-32(54)77-16-15-45-31(53)13-14-46-39(57)36(56)43(3,4)20-67-76(64,65)73-75(62,63)66-19-30-35(72-74(59,60)61)34(55)40(70-30)51-22-50-33-37(44)48-21-49-38(33)51/h6-7,10-11,18,21-24,28-30,34-36,40,42,47,52,55-56H,5,8-9,12-17,19-20H2,1-4H3,(H,45,53)(H,46,57)(H,62,63)(H,64,65)(H2,44,48,49)(H2,59,60,61)/t23-,24+,28-,29-,30-,34-,35-,36+,40-,42-/m1/s1",JCDSEEFGQRURNN-LRZHQNEJSA-N,C[C@H](CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=CC=CC=C12,,,,,,,,
WJ000843,icas#3,C24H31NO7,"InChI=1S/C24H31NO7/c1-15(9-5-3-4-6-12-22(27)28)30-24-20(26)13-21(16(2)31-24)32-23(29)18-14-25-19-11-8-7-10-17(18)19/h6-8,10-12,14-16,20-21,24-26H,3-5,9,13H2,1-2H3,(H,27,28)/b12-6+/t15-,16+,20-,21-,24-/m1/s1",MHHAGCKXSLPDOU-SUOYGWGXSA-N,C[C@H](CCCC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=C1C=CC=C2,CHEBI:79052,,,,Q27148116,86289739,31150672,
WJ000844,icas#3-CoA,C45H65N8O22P3S,"InChI=1S/C45H65N8O22P3S/c1-25(70-44-30(54)19-31(26(2)71-44)73-43(60)28-20-49-29-13-10-9-12-27(28)29)11-7-5-6-8-14-34(56)79-18-17-47-33(55)15-16-48-41(59)38(58)45(3,4)22-69-78(66,67)75-77(64,65)68-21-32-37(74-76(61,62)63)36(57)42(72-32)53-24-52-35-39(46)50-23-51-40(35)53/h8-10,12-14,20,23-26,30-32,36-38,42,44,49,54,57-58H,5-7,11,15-19,21-22H2,1-4H3,(H,47,55)(H,48,59)(H,64,65)(H,66,67)(H2,46,50,51)(H2,61,62,63)/b14-8+/t25-,26+,30-,31-,32-,36-,37-,38+,42-,44-/m1/s1",ULAHBGLKYQKMTI-VSHRVGAASA-N,C[C@H](CCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=CC=CC=C12,,,,,,,,
WJ000845,icas#7,C22H27NO7,"InChI=1S/C22H27NO7/c1-13(7-3-6-10-20(25)26)28-22-18(24)11-19(14(2)29-22)30-21(27)16-12-23-17-9-5-4-8-15(16)17/h4-6,8-10,12-14,18-19,22-24H,3,7,11H2,1-2H3,(H,25,26)/b10-6+/t13-,14+,18-,19-,22-/m1/s1",OVHQEHRYORHTRQ-KXXILVSQSA-N,C[C@H](CC\C=C\C(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=C1C=CC=C2,CHEBI:79023,,,,Q27148100,86289730,31150665,
WJ000846,icas#7-CoA,C43H61N8O22P3S,"InChI=1S/C43H61N8O22P3S/c1-23(68-42-28(52)17-29(24(2)69-42)71-41(58)26-18-47-27-11-7-6-10-25(26)27)9-5-8-12-32(54)77-16-15-45-31(53)13-14-46-39(57)36(56)43(3,4)20-67-76(64,65)73-75(62,63)66-19-30-35(72-74(59,60)61)34(55)40(70-30)51-22-50-33-37(44)48-21-49-38(33)51/h6-8,10-12,18,21-24,28-30,34-36,40,42,47,52,55-56H,5,9,13-17,19-20H2,1-4H3,(H,45,53)(H,46,57)(H,62,63)(H,64,65)(H2,44,48,49)(H2,59,60,61)/b12-8+/t23-,24+,28-,29-,30-,34-,35-,36+,40-,42-/m1/s1",VTPJEYVOLSJKNB-GDHXFCNSSA-N,C[C@H](CC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=CC=CC=C12,,,,,,,,
WJ000847,icas#9,C20H25NO7,"InChI=1S/C20H25NO7/c1-11(7-8-18(23)24)26-20-16(22)9-17(12(2)27-20)28-19(25)14-10-21-15-6-4-3-5-13(14)15/h3-6,10-12,16-17,20-22H,7-9H2,1-2H3,(H,23,24)/t11-,12+,16-,17-,20-/m1/s1",GIZBXORWWXIWKX-VEZRURDRSA-N,C[C@H](CCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=C1C=CC=C2,CHEBI:79028,,,,Q27148102,44205804,31150666,
WJ000848,icas#9-CoA,C41H59N8O22P3S,"InChI=1S/C41H59N8O22P3S/c1-21(66-40-26(50)15-27(22(2)67-40)69-39(56)24-16-45-25-8-6-5-7-23(24)25)9-10-30(52)75-14-13-43-29(51)11-12-44-37(55)34(54)41(3,4)18-65-74(62,63)71-73(60,61)64-17-28-33(70-72(57,58)59)32(53)38(68-28)49-20-48-31-35(42)46-19-47-36(31)49/h5-8,16,19-22,26-28,32-34,38,40,45,50,53-54H,9-15,17-18H2,1-4H3,(H,43,51)(H,44,55)(H,60,61)(H,62,63)(H2,42,46,47)(H2,57,58,59)/t21-,22+,26-,27-,28-,32-,33-,34+,38-,40-/m1/s1",LCKLGWOSVLVMGI-YQBDLUARSA-N,C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=CC=CC=C12,,,,,,,,
WJ000849,D-threo-isocitric acid,C6H8O7,"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)/t2-,4+/m0/s1",ODBLHEXUDAPZAU-ZAFYKAAXSA-N,O[C@H]([C@H](CC(O)=O)C(O)=O)C(O)=O,CHEBI:151,C00451,HMDB0001874;HMDB01874,,Q27105259,5318532,4477081,DTXSID10415742
WJ000850,indol-3-ylacetaldehyde,C10H9NO,"InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2",WHOOUMGHGSPMGR-UHFFFAOYSA-N,[H]C(=O)CC1=CNC2=C1C=CC=C2,CHEBI:18086,C00637,HMDB0001190;HMDB01190,,Q27102813,800,778,DTXSID90180582
WJ000851,IDP,C10H14N4O11P2,"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)/t4-,6-,7-,10-/m1/s1",JPXZQMKKFWMMGK-KQYNXXCUSA-N,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O,CHEBI:17808,C00104,HMDB03335,,Q3151472,6831,6570,DTXSID90235329
WJ000852,L-isoleucine,C6H13NO2,"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",AGPKZVBTJJNPAG-WHFBIAKZSA-N,CC[C@H](C)[C@H](N)C(O)=O,CHEBI:17191;CHEBI:43443;CHEBI:43290,C00407,HMDB00172;HMDB0000172,LMFA01100047,Q484940,6306,6067,DTXSID1047441
WJ000853,IMP,C10H13N4O8P,"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)/t4-,6-,7-,10-/m1/s1",GRSZFWQUAKGDAV-KQYNXXCUSA-N,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O,CHEBI:17202,C00130,HMDB00175;HMDB0000175,,Q27074273,8582,8264,DTXSID80948097
WJ000854,IMP,C10H13N4O8P,"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)/t4-,6-,7-,10-/m1/s1",GRSZFWQUAKGDAV-KQYNXXCUSA-N,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O,CHEBI:17202,,,,,,,DTXSID80948097
WJ000855,indole-3-acetic acid,C10H9NO2,"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)",SEOVTRFCIGRIMH-UHFFFAOYSA-N,OC(=O)CC1=CNC2=CC=CC=C12,CHEBI:16411,C00954,HMDB00197;HMDB0000197,,Q411208,802,780,DTXSID5020738
WJ000856,"indole-5,6-quinone",C8H5NO2,"InChI=1S/C8H5NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9H",IGGVVGHJSQSLFO-UHFFFAOYSA-N,O=C1C=C2NC=CC2=CC1=O,CHEBI:5912;CHEBI:27406,C05579,HMDB0006779;HMDB06779,,Q6025729,440728,389600,DTXSID90331517
WJ000857,myo-inositol,C6H12O6,"InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-",CDAISMWEOUEBRE-GPIVLXJGSA-N,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O,CHEBI:17268,C00137,HMDB0000211;HMDB00211,,Q15628176,,10239179,DTXSID7023146
WJ000858,inosine,C10H12N4O5,"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",UGQMRVRMYYASKQ-KQYNXXCUSA-N,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(O)N=CN=C12,CHEBI:44407;CHEBI:17596,C00294,HMDB00195;HMDB0000195,,Q422564,6021,5799,DTXSID2045993
WJ000859,isopentenyl diphosphate,C5H12O7P2,"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)",NUHSROFQTUXZQQ-UHFFFAOYSA-N,CC(=C)CCOP(O)(=O)OP(O)(O)=O,CHEBI:16584,C00129,HMDB0001347;HMDB01347,LMPR01010008,Q417403,1195,1158,
WJ000860,L-isoglutamine,C5H10N2O3,"InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m0/s1",AEFLONBTGZFSGQ-VKHMYHEASA-N,[H][C@](N)(CCC(O)=O)C(O)=N,,,,,Q27094051,445883,393382,
WJ000861,ITP,C10H15N4O14P3,"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)/t4-,6-,7-,10-/m1/s1",HAEJPQIATWHALX-KQYNXXCUSA-N,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O,CHEBI:16039,C00081,HMDB0000189;HMDB00189,,Q3151473,8583,8265,DTXSID8074499
WJ000862,isovaleryl-CoA,C26H44N7O17P3S,"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)/t15-,19-,20-,21+,25-/m1/s1",UYVZIWWBJMYRCD-ZMHDXICWSA-N,CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15487,,HMDB01113,LMFA07050336,Q3066403,165435,145017,
WJ000863,kynurenic acid,C10H7NO3,"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)",HCZHHEIFKROPDY-UHFFFAOYSA-N,OC(=O)C1=NC2=C(C=CC=C2)C(O)=C1,CHEBI:18344,C01717,HMDB00715;HMDB0000715,,Q642217,3845,3712,DTXSID8075417
WJ000864,L-dopachrome,C9H7NO4,"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)/t6-/m0/s1",VJNCICVKUHKIIV-LURJTMIESA-N,[H][C@]1(CC2=CC(=O)C(=O)C=C2N1)C(O)=O,CHEBI:15772,C01693,HMDB0001430;HMDB01430,,Q27098224,5459802,4573572,
WJ000865,L-2-aminoadipic acid,C6H11NO4,"InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1",OYIFNHCXNCRBQI-BYPYZUCNSA-N,N[C@@H](CCCC(O)=O)C(O)=O,CHEBI:37023,,,,Q27104392,92136,83182,
WJ000866,L-allysine,C6H11NO3,"InChI=1S/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)/t5-/m0/s1",GFXYTQPNNXGICT-YFKPBYRVSA-N,[H]C(=O)CCC[C@H](N)C(O)=O,CHEBI:17917,C04076,HMDB59595;HMDB0059595,,Q28529674,160603,141126,
WJ000867,(R)-lactic acid,C3H6O3,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1",JVTAAEKCZFNVCJ-UWTATZPHSA-N,C[C@@H](O)C(O)=O,CHEBI:42111,C00256,HMDB0001311;HMDB01311,,Q27077083,61503,55423,DTXSID0047030
WJ000868,(S)-lactic acid,C3H6O3,"InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1",JVTAAEKCZFNVCJ-REOHCLBHSA-N,C[C@H](O)C(O)=O,CHEBI:42111;CHEBI:422,C00186;C00256,HMDB00190;HMDB0000190,,Q27080955,107689;61503,55423;96860,DTXSID6034689
WJ000869,L-alanyl-L-glutamic acid,C8H14N2O5,"InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1",VYZAGTDAHUIRQA-WHFBIAKZSA-N,C[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O,CHEBI:61565,,,,Q27131168,128841,114174,DTXSID70927376
WJ000870,(R)-lactaldehyde,C3H6O2,"InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3/t3-/m1/s1",BSABBBMNWQWLLU-GSVOUGTGSA-N,[H]C(=O)[C@@H](C)O,CHEBI:340;CHEBI:18683;CHEBI:17167,C00937,HMDB06458;HMDB0006458,,Q27102246,439350,388473,DTXSID80331405
WJ000871,lactose,C12H22O11,"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",GUBGYTABKSRVRQ-QKKXKWKRSA-N,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,CHEBI:6353,C00243,,,Q27890379,440995,,
WJ000872,L-cysteic acid,C3H7NO5S,"InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1",XVOYSCVBGLVSOL-REOHCLBHSA-N,N[C@@H](CS(O)(=O)=O)C(O)=O,CHEBI:17285,C00506,,,Q29743881,72886,65718,DTXSID7075424
WJ000873,L-leucine,C6H13NO2,"InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1",ROHFNLRQFUQHCH-YFKPBYRVSA-N,CC(C)C[C@H](N)C(O)=O,CHEBI:15603;CHEBI:43646,C00123,HMDB0000687;HMDB00687,,Q483745,6106,5880,DTXSID9023203
WJ000874,leukotriene A4,C20H30O3,"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)/b7-6-,10-9-,12-11+,15-13+/t18-,19-/m0/s1",UFPQIRYSPUYQHK-WAQVJNLQSA-N,CCCCC\C=C/C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(O)=O,CHEBI:15651,C00909,HMDB0001337;HMDB01337,LMFA03020023,Q3024044,5280383,4444074,DTXSID40903945
WJ000875,leukotriene B4,C20H32O4,"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",VNYSSYRCGWBHLG-AMOLWHMGSA-N,CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,CHEBI:15647;CHEBI:63981,C02165,HMDB01085;HMDB0001085,LMFA03020001,Q2704449,5283128;5280492,4446252;4444132,
WJ000876,20-hydroxy-leukotriene B4,C20H32O5,"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)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1",PTJFJXLGRSTECQ-PSPARDEHSA-N,OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O,CHEBI:15646;CHEBI:1293,C04853,HMDB01509;HMDB0001509,LMFA03020018,Q27071451,5280745,4444320,
WJ000877,N-formyl-L-kynurenine,C11H12N2O4,"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)/t8-/m0/s1",BYHJHXPTQMMKCA-QMMMGPOBSA-N,[H]C(=O)NC1=CC=CC=C1C(=O)C[C@H](N)C(O)=O,CHEBI:30249;CHEBI:58629,C02700,HMDB0060485;HMDB60485;HMDB01200,,Q27104120,25202092;439788,388843,
WJ000878,L-gamma-glutamyl-D-alanine,C8H14N2O5,"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)/t4-,5+/m1/s1",WQXXXVRAFAKQJM-UHNVWZDZSA-N,C[C@@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O,CHEBI:16834,,,,Q27102102,151284,133338,
WJ000879,(R)-S-lactoylglutathione,C13H21N3O8S,"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)/t6-,7+,8+/m1/s1",VDYDCVUWILIYQF-CSMHCCOUSA-N,C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O,CHEBI:15694,C03451,HMDB01066;HMDB0001066,,,440018,389032,
WJ000880,KDO(2)-lipid (A) (bacteria),C110H202N2O39P2,"InChI=1S/C110H202N2O39P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-92(123)142-82(66-60-54-48-42-35-29-23-17-11-5)72-94(125)146-104-96(112-90(121)71-81(65-59-53-47-41-34-28-22-16-10-4)141-91(122)67-61-55-49-43-36-30-24-18-12-6)105(144-88(102(104)150-152(133,134)135)78-140-109(107(129)130)74-86(98(127)101(148-109)85(119)76-114)147-110(108(131)132)73-83(117)97(126)100(149-110)84(118)75-113)139-77-87-99(128)103(145-93(124)70-80(116)64-58-52-46-40-33-27-21-15-9-3)95(106(143-87)151-153(136,137)138)111-89(120)69-79(115)63-57-51-45-39-32-26-20-14-8-2/h79-88,95-106,113-119,126-128H,7-78H2,1-6H3,(H,111,120)(H,112,121)(H,129,130)(H,131,132)(H2,133,134,135)(H2,136,137,138)/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,109-,110-/m1/s1",DIXUKJUHGLIZGU-OIPVZEHTSA-N,[H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(O[C@@H]1C[C@@](OC[C@H]2O[C@@H](OC[C@H]3O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]3O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H]2OP(O)(O)=O)(O[C@]([H])([C@H](O)CO)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)CO,CHEBI:27963,,,LMSL02000001,Q27103425,11355423,9530351,
WJ000881,lipoyl-AMP,C18H26N5O8PS2,"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)/t10?,11-,14-,15-,18-/m1/s1",QWEGOCJRZOKSOE-NLJBGGCZSA-N,Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCCC2CCSS2)[C@@H](O)[C@H]1O,CHEBI:55451,C16238,HMDB59635;HMDB0059635,,Q27124302,23724672,26330628,
WJ000882,(R)-lipoic acid,C8H14O2S2,"InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1",AGBQKNBQESQNJD-SSDOTTSWSA-N,OC(=O)CCCC[C@@H]1CCSS1,CHEBI:30314,C16241,HMDB01451;HMDB0014312;HMDB0001451;HMDB14312,LMFA01130001,Q27887203,6112,5886,DTXSID20152651
WJ000883,L-kynurenine,C10H12N2O3,"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",YGPSJZOEDVAXAB-QMMMGPOBSA-N,N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O,CHEBI:16946,C00328,HMDB0000684;HMDB00684,,Q415768,161166,141580,
WJ000884,O-linoleoyl-L-carnitine,C25H45NO4,"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",MJLXQSQYKZWZCB-DQFWFXSYSA-N,CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,CHEBI:84098,,HMDB06469;HMDB0006469,LMFA07070009,Q27157478,6450015,4952667,
WJ000885,4alpha-methyl-5alpha-cholest-7-en-3beta-ol,C28H48O,"InChI=1S/C28H48O/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/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,26+,27-,28+/m1/s1",LMYZQUNLYGJIHI-SPONXPENSA-N,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@H](C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,CHEBI:18378,C08825,,LMST01010094,Q27103040,160482,141024,DTXSID70963996
WJ000886,5alpha-cholest-7-en-3beta-ol,C27H46O,"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",IZVFFXVYBHFIHY-SKCNUYALSA-N,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,CHEBI:17168,C01189,HMDB01170;HMDB0001170,LMST01010089,Q3218465,65728,59151,
WJ000887,lathosterone,C27H44O,"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/h10,18-20,23-25H,6-9,11-17H2,1-5H3/t19-,20+,23-,24+,25+,26+,27-/m1/s1",FLRPNSKUGCVRRB-IINKENNYSA-N,[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,CHEBI:71550,,,,Q27139703,15081535,19957569,
WJ000888,"L-xylo-hex-2-ulono-1,4-lactone",C6H8O6,"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",KRGQEOSDQHTZMX-GDGKWOGESA-N,[H][C@@]1(OC(=O)C(=O)[C@H]1O)[C@@H](O)CO,CHEBI:73681,C03289,,,Q27143851,439966,28639394,
WJ000889,L-lysine,C6H14N2O2,"InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1",KDXKERNSBIXSRK-YFKPBYRVSA-N,NCCCC[C@H](N)C(O)=O,CHEBI:18019,C00047,HMDB0003405;HMDB00182;HMDB03405;HMDB0000182,,,5962,5747,DTXSID6023232
WJ000890,Lys-Tyr-Glu,C20H30N4O7,"InChI=1S/C20H30N4O7/c21-10-2-1-3-14(22)18(28)24-16(11-12-4-6-13(25)7-5-12)19(29)23-15(20(30)31)8-9-17(26)27/h4-7,14-16,25H,1-3,8-11,21-22H2,(H,23,29)(H,24,28)(H,26,27)(H,30,31)/t14-,15-,16-/m0/s1",XYLSGAWRCZECIQ-JYJNAYRXSA-N,NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,,,,,,,,
WJ000891,(Mannosyl)2-(N-acetylglucosaminyl)2-diphosphodolichol,C108H180N2O27P2,"InChI=1S/C108H180N2O27P2/c1-71(2)35-20-36-72(3)37-21-38-73(4)39-22-40-74(5)41-23-42-75(6)43-24-44-76(7)45-25-46-77(8)47-26-48-78(9)49-27-50-79(10)51-28-52-80(11)53-29-54-81(12)55-30-56-82(13)57-31-58-83(14)59-32-60-84(15)61-33-62-85(16)63-34-64-86(17)65-66-128-138(124,125)137-139(126,127)136-106-94(110-88(19)116)98(120)102(92(70-114)132-106)133-105-93(109-87(18)115)97(119)103(91(69-113)131-105)134-108-101(123)104(96(118)90(68-112)130-108)135-107-100(122)99(121)95(117)89(67-111)129-107/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,86,89-108,111-114,117-123H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-70H2,1-19H3,(H,109,115)(H,110,116)(H,124,125)(H,126,127)/b72-37+,73-39+,74-41+,75-43+,76-45+,77-47+,78-49+,79-51+,80-53+,81-55+,82-57+,83-59+,84-61+,85-63+/t86?,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99+,100+,101+,102-,103-,104+,105+,106+,107-,108+/m1/s1",ZTJFEYPCTFISRM-FSEKKYFOSA-N,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CCC([H])(C)CCOP(O)(=O)OP(O)(=O)O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O)=C(\C)CCC=C(C)C,,,HMDB0012118;HMDB12118,,,53481370,,
WJ000892,(Mannosyl)3-(N-acetylglucosaminyl)2-diphosphodolichol,C114H190N2O32P2,"InChI=1S/C114H190N2O32P2/c1-72(2)35-20-36-73(3)37-21-38-74(4)39-22-40-75(5)41-23-42-76(6)43-24-44-77(7)45-25-46-78(8)47-26-48-79(9)49-27-50-80(10)51-28-52-81(11)53-29-54-82(12)55-30-56-83(13)57-31-58-84(14)59-32-60-85(15)61-33-62-86(16)63-34-64-87(17)65-66-138-149(133,134)148-150(135,136)147-111-96(116-89(19)122)101(127)107(93(70-120)142-111)144-110-95(115-88(18)121)100(126)108(92(69-119)141-110)145-114-106(132)109(146-113-105(131)103(129)98(124)91(68-118)140-113)99(125)94(143-114)71-137-112-104(130)102(128)97(123)90(67-117)139-112/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,87,90-114,117-120,123-132H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-71H2,1-19H3,(H,115,121)(H,116,122)(H,133,134)(H,135,136)/b73-37+,74-39+,75-41+,76-43+,77-45+,78-47+,79-49+,80-51+,81-53+,82-55+,83-57+,84-59+,85-61+,86-63+/t87?,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103+,104+,105+,106+,107-,108-,109+,110+,111+,112+,113-,114+/m1/s1",BKUXVZCTYBVOAV-JLQUOVFMSA-N,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CCC([H])(C)CCOP(O)(=O)OP(O)(=O)O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O)[C@@]([H])(O)[C@]([H])(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O)=C(\C)CCC=C(C)C,,,HMDB12119;HMDB0012119,,,53481371,,
WJ000893,(Mannosyl)5-(N-acetylglucosaminyl)2-diphosphodolichol,C126H210N2O42P2,"InChI=1S/C126H210N2O42P2/c1-74(2)35-20-36-75(3)37-21-38-76(4)39-22-40-77(5)41-23-42-78(6)43-24-44-79(7)45-25-46-80(8)47-26-48-81(9)49-27-50-82(10)51-28-52-83(11)53-29-54-84(12)55-30-56-85(13)57-31-58-86(14)59-32-60-87(15)61-33-62-88(16)63-34-64-89(17)65-66-156-171(151,152)170-172(153,154)169-121-100(128-91(19)136)107(143)115(97(72-134)162-121)164-120-99(127-90(18)135)106(142)116(96(71-133)161-120)165-124-114(150)117(105(141)98(163-124)73-155-122-112(148)108(144)101(137)92(67-129)157-122)166-125-119(111(147)104(140)94(69-131)159-125)168-126-118(110(146)103(139)95(70-132)160-126)167-123-113(149)109(145)102(138)93(68-130)158-123/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,89,92-126,129-134,137-150H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-73H2,1-19H3,(H,127,135)(H,128,136)(H,151,152)(H,153,154)/b75-37+,76-39+,77-41+,78-43+,79-45+,80-47+,81-49+,82-51+,83-53+,84-55+,85-57+,86-59+,87-61+,88-63+/t89?,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108+,109+,110+,111+,112+,113+,114+,115-,116-,117+,118+,119+,120+,121+,122+,123-,124+,125-,126-/m1/s1",WMSWZXXUBKPOOZ-CPZBINJNSA-N,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CCC([H])(C)CCOP(O)(=O)OP(O)(=O)O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O)[C@@]([H])(O)[C@]([H])(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O)=C(\C)CCC=C(C)C,,,HMDB0012121;HMDB12121,,,53481373,,
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WJ000895,(Mannosyl)7-(N-acetylglucosaminyl)2-diphosphodolichol,C138H230N2O52P2,"InChI=1S/C138H230N2O52P2/c1-76(2)35-20-36-77(3)37-21-38-78(4)39-22-40-79(5)41-23-42-80(6)43-24-44-81(7)45-25-46-82(8)47-26-48-83(9)49-27-50-84(10)51-28-52-85(11)53-29-54-86(12)55-30-56-87(13)57-31-58-88(14)59-32-60-89(15)61-33-62-90(16)63-34-64-91(17)65-66-174-193(169,170)192-194(171,172)191-131-104(140-93(19)150)113(159)123(101(74-148)182-131)184-130-103(139-92(18)149)112(158)124(100(73-147)181-130)185-135-122(168)126(187-137-129(118(164)109(155)97(70-144)179-137)190-138-128(117(163)108(154)98(71-145)180-138)189-134-120(166)115(161)106(152)95(68-142)177-134)111(157)102(183-135)75-173-132-121(167)125(110(156)99(72-146)175-132)186-136-127(116(162)107(153)96(69-143)178-136)188-133-119(165)114(160)105(151)94(67-141)176-133/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,91,94-138,141-148,151-168H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-75H2,1-19H3,(H,139,149)(H,140,150)(H,169,170)(H,171,172)/b77-37+,78-39+,79-41+,80-43+,81-45+,82-47+,83-49+,84-51+,85-53+,86-55+,87-57+,88-59+,89-61+,90-63+/t91?,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114+,115+,116+,117+,118+,119+,120+,121+,122+,123-,124-,125+,126+,127+,128+,129+,130+,131+,132+,133-,134-,135+,136-,137-,138-/m1/s1",VNYRSEASZNQGSH-UDMAQEQJSA-N,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CCC([H])(C)CCOP(O)(=O)OP(O)(=O)O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]5([H])O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]5([H])O)[C@]4([H])O)[C@@]([H])(O)[C@]([H])(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O)=C(\C)CCC=C(C)C,,,HMDB12123;HMDB0012123,,,53481375,,
WJ000896,(Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol,C144H240N2O57P2,"InChI=1S/C144H240N2O57P2/c1-77(2)35-20-36-78(3)37-21-38-79(4)39-22-40-80(5)41-23-42-81(6)43-24-44-82(7)45-25-46-83(8)47-26-48-84(9)49-27-50-85(10)51-28-52-86(11)53-29-54-87(12)55-30-56-88(13)57-31-58-89(14)59-32-60-90(15)61-33-62-91(16)63-34-64-92(17)65-66-184-204(178,179)203-205(180,181)202-136-106(146-94(19)156)116(166)128(102(74-154)192-136)195-135-105(145-93(18)155)115(165)129(101(73-153)191-135)196-141-127(177)131(198-143-134(122(172)112(162)99(71-151)189-143)201-144-133(121(171)111(161)100(72-152)190-144)200-140-125(175)119(169)109(159)97(69-149)187-140)114(164)104(194-141)76-183-138-126(176)130(113(163)103(193-138)75-182-137-123(173)117(167)107(157)95(67-147)185-137)197-142-132(120(170)110(160)98(70-150)188-142)199-139-124(174)118(168)108(158)96(68-148)186-139/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,92,95-144,147-154,157-177H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-76H2,1-19H3,(H,145,155)(H,146,156)(H,178,179)(H,180,181)/b78-37+,79-39+,80-41+,81-43+,82-45+,83-47+,84-49+,85-51+,86-53+,87-55+,88-57+,89-59+,90-61+,91-63+/t92?,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128-,129-,130+,131+,132+,133+,134+,135+,136+,137+,138+,139-,140-,141+,142-,143-,144-/m1/s1",YRUUGXZUKTWFST-JNAUNXQKSA-N,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CCC([H])(C)CCOP(O)(=O)OP(O)(=O)O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO[C@@]4([H])O[C@]([H])(CO[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]5([H])O)[C@@]([H])(O)[C@]([H])(O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]5([H])O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]5([H])O)[C@]4([H])O)[C@@]([H])(O)[C@]([H])(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O)=C(\C)CCC=C(C)C,,,HMDB0012124;HMDB12124,,,53481376,,
WJ000897,(Mannosyl)9-(N-acetylglucosaminyl)2-diphosphodolichol,C150H250N2O62P2,"InChI=1S/C150H250N2O62P2/c1-78(2)35-20-36-79(3)37-21-38-80(4)39-22-40-81(5)41-23-42-82(6)43-24-44-83(7)45-25-46-84(8)47-26-48-85(9)49-27-50-86(10)51-28-52-87(11)53-29-54-88(12)55-30-56-89(13)57-31-58-90(14)59-32-60-91(15)61-33-62-92(16)63-34-64-93(17)65-66-193-215(187,188)214-216(189,190)213-141-108(152-95(19)163)119(174)132(104(75-161)202-141)205-140-107(151-94(18)162)118(173)133(103(74-160)201-140)206-146-131(186)135(208-149-139(126(181)115(170)101(72-158)199-149)212-150-138(125(180)114(169)102(73-159)200-150)211-145-129(184)122(177)111(166)98(69-155)196-145)117(172)106(204-146)76-191-142-130(185)134(207-148-137(124(179)113(168)100(71-157)198-148)210-144-128(183)121(176)110(165)97(68-154)195-144)116(171)105(203-142)77-192-147-136(123(178)112(167)99(70-156)197-147)209-143-127(182)120(175)109(164)96(67-153)194-143/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,93,96-150,153-161,164-186H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-77H2,1-19H3,(H,151,162)(H,152,163)(H,187,188)(H,189,190)/b79-37+,80-39+,81-41+,82-43+,83-45+,84-47+,85-49+,86-51+,87-53+,88-55+,89-57+,90-59+,91-61+,92-63+/t93?,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132-,133-,134+,135+,136+,137+,138+,139+,140+,141+,142+,143-,144-,145-,146+,147+,148-,149-,150-/m1/s1",JECWIAQBRVYUQC-IJJLAIKNSA-N,[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CCC([H])(C)CCOP(O)(=O)OP(O)(=O)O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO[C@@]4([H])O[C@]([H])(CO[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]5([H])O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]5([H])O)[C@@]([H])(O)[C@]([H])(O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]5([H])O[C@@]5([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]5([H])O)[C@]4([H])O)[C@@]([H])(O)[C@]([H])(O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O[C@@]4([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]4([H])O)[C@]3([H])O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[C@@]1([H])N=C(C)O)=C(\C)CCC=C(C)C,,,HMDB0012125;HMDB12125,,,53481377,,
WJ000898,(S)-malic acid,C4H6O5,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",BJEPYKJPYRNKOW-REOHCLBHSA-N,O[C@@H](CC(O)=O)C(O)=O,CHEBI:30797,C00149,HMDB0000156;HMDB00156,,Q27104150,222656,193317,DTXSID30273987
WJ000899,malonyl-CoA,C24H38N7O19P3S,"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)/t12-,17-,18-,19+,23-/m1/s1",LTYOQGRJFJAKNA-DVVLENMVSA-N,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O,,,,,,,,DTXSID40904351
WJ000900,beta-maltose,C12H22O11,"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",GUBGYTABKSRVRQ-QUYVBRFLSA-N,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,CHEBI:18147;CHEBI:10431,C01971,,,Q26914030,6255,6019,DTXSID1023233
WJ000901,maltotriose,C18H32O16,"InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17+,18+/m0/s1",RXVWSYJTUUKTEA-CGQAXDJHSA-N,OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O,,,,,Q28091366,,,DTXSID6048963
WJ000902,maltotetraose,C24H42O21,"InChI=1S/C24H42O21/c25-1-6(30)11(32)19(7(31)2-26)43-23-17(38)14(35)21(9(4-28)41-23)45-24-18(39)15(36)20(10(5-29)42-24)44-22-16(37)13(34)12(33)8(3-27)40-22/h1,6-24,26-39H,2-5H2/t6-,7+,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+/m0/s1",UYQJCPNSAVWAFU-KVXMBEGHSA-N,OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O,CHEBI:28460,C02052,HMDB01296,,Q27096312,123966,110488,
WJ000903,D-mannopyranose,C6H12O6,"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",WQZGKKKJIJFFOK-QTVWNMPRSA-N,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEBI:4208;CHEBI:14575,C00159,HMDB0000169;HMDB00169,,Q335208,18950,32674261;17893,DTXSID5040463
WJ000904,alpha-D-mannose 1-phosphate,C6H13O9P,"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",HXXFSFRBOHSIMQ-RWOPYEJCSA-N,OC[C@H]1O[C@H](OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEBI:18205,C00636,,,Q27102901,439279,388412,
WJ000905,D-mannopyranose 6-phosphate,C6H13O9P,"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",NBSCHQHZLSJFNQ-QTVWNMPRSA-N,OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O,CHEBI:48066,C00275,HMDB01078,,Q259546,65127,58636;30779179,
WJ000906,N-methyl-beta-alanine,C4H9NO2,"InChI=1S/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)",VDIPNVCWMXZNFY-UHFFFAOYSA-N,CNCCC(O)=O,,,,,,,,DTXSID10181298
WJ000907,mbas#10,C20H34O7,"InChI=1S/C20H34O7/c1-5-13(2)19(24)27-17-12-16(21)20(26-15(17)4)25-14(3)10-8-6-7-9-11-18(22)23/h5,14-17,20-21H,6-12H2,1-4H3,(H,22,23)/b13-5+/t14-,15+,16-,17-,20-/m1/s1",IARVMWOCDIKRTC-GIYJNIOBSA-N,C\C=C(/C)C(=O)OC1CC(O)C(OC(C)CCCCCCC(O)=O)OC1C,CHEBI:79129,,,,Q27148188,,31150697,
WJ000908,mbas#3,C20H32O7,"InChI=1S/C20H32O7/c1-5-13(2)19(24)27-17-12-16(21)20(26-15(17)4)25-14(3)10-8-6-7-9-11-18(22)23/h5,9,11,14-17,20-21H,6-8,10,12H2,1-4H3,(H,22,23)/b11-9+,13-5+/t14-,15+,16-,17-,20-/m1/s1",NKVDNSIHZYHTDR-KADWPSLISA-N,C\C=C(/C)C(=O)O[C@@H]1C[C@@H](O)[C@H](O[C@H](C)CCCC\C=C\C(O)=O)O[C@H]1C,CHEBI:79128,,,,Q27148187,86289766,31150696,
WJ000909,monodehydro-L-ascorbic acid,C6H7O6,"InChI=1S/C6H7O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10H,1H2/t2-,5+/m0/s1",LHFJOBMTAJJOTB-JLAZNSOCSA-N,[H][C@@]1(OC(=O)C(O)=C1[O])[C@@H](O)CO,CHEBI:16504,,,,Q27101942,5483640,26330544,
WJ000910,melibiose,C12H22O11,"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",DLRVVLDZNNYCBX-ABXHMFFYSA-N,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,CHEBI:4808,C05400,HMDB0000048;HMDB00048,,,440656,389537,
WJ000911,methanol,CH4O,"InChI=1S/CH4O/c1-2/h2H,1H3",OKKJLVBELUTLKV-UHFFFAOYSA-N,CO,CHEBI:17790,C00132,HMDB0001875;HMDB01875,,Q14982,887,864,DTXSID2021731
WJ000912,3-mercaptolactic acid,C3H6O3S,"InChI=1S/C3H6O3S/c4-2(1-7)3(5)6/h2,4,7H,1H2,(H,5,6)/t2-/m0/s1",OLQOVQTWRIJPRE-REOHCLBHSA-N,O[C@@H](CS)C(O)=O,CHEBI:1572;CHEBI:28580,C05823,,,Q27103783,9833951,8009672,
WJ000913,3-mercaptolactic acid-cysteine disulfide,C6H11NO5S2,"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)/t3-,4?/m0/s1",MAFDYIDMXCXBRB-WUCPZUCCSA-N,C([C@@H](C(=O)O)N)SSCC(C(=O)O)O,,,HMDB06512;HMDB0006512,,,193536,167948,
WJ000914,3-mercaptopyruvic acid,C3H4O3S,"InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)",OJOLFAIGOXZBCI-UHFFFAOYSA-N,OC(=O)C(=O)CS,CHEBI:16208,C00957,HMDB0001368;HMDB01368,,Q4634163,98,96,
WJ000915,L-methionine,C5H11NO2S,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",FFEARJCKVFRZRR-BYPYZUCNSA-N,CSCC[C@H](N)C(O)=O,CHEBI:16643,C00073,HMDB0000696;HMDB00696,,Q22124685,6137,5907,DTXSID5040548
WJ000916,Met-Ala-Met,C13H25N3O4S2,"InChI=1S/C13H25N3O4S2/c1-8(15-12(18)9(14)4-6-21-2)11(17)16-10(13(19)20)5-7-22-3/h8-10H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-,10-/m0/s1",VTKPSXWRUGCOAC-GUBZILKMSA-N,CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(O)=O,,,,,,,,
WJ000917,N-methylethanolamine phosphate,C3H10NO4P,"InChI=1S/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)",HZDCAHRLLXEQFY-UHFFFAOYSA-N,CNCCOP(O)(O)=O,CHEBI:7314;CHEBI:16463,C01210,HMDB60173;HMDB0060173,,Q27101920,439436,388545,
WJ000918,"(6R)-5,10-methenyltetrahydrofolic acid",C20H22N7O6,"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+/m1/s1",MEANFMOQMXYMCT-OLZOCXBDSA-O,[H][C@@]12CN(C=[N+]1C1=C(NC2)N=C(N)NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,,,,,,,,
WJ000919,Methylselenol,CH4Se,"InChI=1S/CH4Se/c1-2/h2H,1H3",APKHDKJWSHYLEU-UHFFFAOYSA-N,C[SeH],CHEBI:64685,C05703,HMDB60488;HMDB0060488,,,440764,,
WJ000920,(R)-mevalonic acid,C6H12O4,"InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/t6-/m1/s1",KJTLQQUUPVSXIM-ZCFIWIBFSA-N,C[C@@](O)(CCO)CC(O)=O,CHEBI:25351;CHEBI:17710,C00418,HMDB59629;HMDB0059629,LMFA01050352,Q241678,439230;449,436;388367,DTXSID5040546
WJ000921,N(tele)-methylhistamine,C6H11N3,"InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3",FHQDWPCFSJMNCT-UHFFFAOYSA-N,CN1C=NC(CCN)=C1,CHEBI:29009,C05127,HMDB0000898;HMDB00898,,Q27078070,3614,3488,DTXSID30198207
WJ000922,5-methyltetrahydropteroyltri-L-glutamic acid,C30H39N9O12,"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",HVRNKDVLFAVCJF-VJANTYMQSA-N,CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2,CHEBI:17614,C04489,HMDB12177;HMDB0012177,,Q27102479,16722111,17625689,
WJ000923,"myo-inositol 1,3,4,5,6-pentakisphosphate",C6H17O21P5,"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)/t1-,2+,3-,4-,5+,6+",CTPQAXVNYGZUAJ-KXXVROSKSA-N,O[C@@H]1[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@@H]1OP(O)(O)=O,CHEBI:16322,C01284;C04563,HMDB03529;HMDB0003529,,Q27101851,439468,10333900,
WJ000924,"1D-myo-inositol 1,3,4,5-tetrakisphosphate",C6H16O18P4,"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)/t1-,2-,3-,4+,5-,6-/m0/s1",CIPFCGZLFXVXBG-CNWJWELYSA-N,O[C@H]1[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O,CHEBI:16783,C01272,,,Q27078094,,17216047,
WJ000925,"myo-inositol 1,3,4,6-tetrakisphosphate",C6H16O18P4,"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)/t1-,2+,3-,4+,5-,6+",ZAWIXNGTTZTBKV-JMVOWJSSSA-N,O[C@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,CHEBI:16155,C04477,HMDB01187;HMDB0001187,,Q27095123,,17216082,
WJ000926,"1D-myo-inositol 1,3,4-trisphosphate",C6H15O15P3,"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)/t1-,2-,3+,4+,5+,6+/m1/s1",MMWCIQZXVOZEGG-MLQGYMEPSA-N,O[C@@H]1[C@@H](O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O,CHEBI:43378;CHEBI:18228,C01243,HMDB01143;HMDB0001143,,Q27092892,439455,388561,
WJ000927,"1D-myo-inositol 1,4,5,6-tetrakisphosphate",C6H16O18P4,"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)/t1-,2+,3-,4-,5+,6+/m1/s1",MRVYFOANPDTYBY-YORTWTKJSA-N,O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O,CHEBI:811;CHEBI:16067,C11555,HMDB0004527;HMDB04527,,Q27098360,443266,391520,
WJ000928,"1D-myo-inositol 1,4,5-trisphosphate",C6H15O15P3,"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)/t1-,2+,3+,4-,5-,6-/m1/s1",MMWCIQZXVOZEGG-XJTPDSDZSA-N,O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O,CHEBI:16595,C01245,HMDB0001498;HMDB01498,,Q26998374,439456,388562,
WJ000929,"1D-myo-inositol 1,4-bisphosphate",C6H14O12P2,"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)/t1-,2-,3-,4+,5+,6+/m1/s1",PELZSPZCXGTUMR-RTPHHQFDSA-N,O[C@H]1[C@@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1OP(O)(O)=O,CHEBI:17816,C01220,HMDB00968;HMDB0000968,,,,17216032,
WJ000930,1D-myo-inositol 1-phosphate,C6H13O9P,"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)/t1-,2-,3+,4-,5-,6-/m1/s1",INAPMGSXUVUWAF-UOTPTPDRSA-N,O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O,CHEBI:818;CHEBI:18297,C01177,HMDB00213,,Q27078074,,10375592,
WJ000931,1D-myo-inositol 3-phosphate,C6H13O9P,"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)/t1-,2-,3+,4-,5-,6-/m0/s1",INAPMGSXUVUWAF-PTQMNWPWSA-N,O[C@H]1[C@H](O)[C@H](O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1O,CHEBI:814;CHEBI:18169,C04006,HMDB0000213;HMDB00213,,Q27078075,,17215924,
WJ000932,1D-myo-inositol 4-phosphate,C6H13O9P,"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)/t1-,2-,3-,4+,5-,6-/m0/s1",INAPMGSXUVUWAF-CNWJWELYSA-N,O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1O,CHEBI:18384,C03546,HMDB0001313;HMDB01313,,Q27078076,,17216102,
WJ000933,myo-inositol hexakisphosphate,C6H18O24P6,"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)/t1-,2-,3-,4+,5-,6-",IMQLKJBTEOYOSI-GPIVLXJGSA-N,OP(O)(=O)O[C@H]1[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@@H]1OP(O)(O)=O,CHEBI:10603;CHEBI:17401,C01204,HMDB03502,,Q409679,890,16735966,DTXSID40889331
WJ000934,"(6R)-5,10-methylenetetrahydrofolic acid",C20H23N7O6,"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)/t12-,13+/m1/s1",QYNUQALWYRSVHF-OLZOCXBDSA-N,[H][C@@]12CN(CN1C1=C(NC2)N=C(N)NC1=O)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,CHEBI:10925;CHEBI:1989,C00143,HMDB01533,,Q26995704,445117,392851,DTXSID60185584
WJ000935,methylmalonic acid,C4H6O4,"InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)",ZIYVHBGGAOATLY-UHFFFAOYSA-N,CC(C(O)=O)C(O)=O,CHEBI:42270;CHEBI:30860,C02170,HMDB0000202;HMDB00202,LMFA01170118,Q239598,487,473,DTXSID00199549
WJ000936,(R)-methylmalonyl-CoA,C25H40N7O19P3S,"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)/t12-,13-,16-,17-,18+,22-/m1/s1",MZFOKIKEPGUZEN-AGCMQPJKSA-N,C[C@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15465,C01213,,LMFA07050152,Q27089451,449534,396035,
WJ000937,(S)-methylmalonyl-CoA,C25H40N7O19P3S,"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)/t12-,13+,16+,17+,18-,22+/m0/s1",MZFOKIKEPGUZEN-IBNUZSNCSA-N,C[C@@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:15466,C00683,,LMFA07050164,Q27089452,11966111,10140105,
WJ000938,(S)-methylmalonaldehydic acid,C4H6O3,"InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/t3-/m0/s1",VOKUMXABRRXHAR-VKHMYHEASA-N,C[C@@H](C=O)C(O)=O,CHEBI:27821,C06002,HMDB0002217;HMDB02217,LMFA01060190,Q27103355,5462303,4575365,DTXSID50863723
WJ000939,beta-D-Manp-(1-4)-beta-D-GlcpNAc,C14H25NO11,"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",KFEUJDWYNGMDBV-JVHZDDNZSA-N,CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O,CHEBI:71553,,,,Q27104994,70698368,28533652,
WJ000940,molybdic acid,H2MoO4,InChI=1S/Mo.2H2O.2O/h;2*1H2;;/q+2;;;;/p-2,VLAPMBHFAWRUQP-UHFFFAOYSA-L,[H]O[Mo](=O)(=O)O[H],CHEBI:25371,,,,Q412950,82208,74188,
WJ000941,molybdopterin,C10H14N5O6PS2,"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)/t2-,3+,9-/m1/s1",HPEUEJRPDGMIMY-IFQPEPLCSA-N,[H][C@]12NC3=C(N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(O)=O)O2)C(=O)NC(N)=N3,CHEBI:6969;CHEBI:44074,C18237,,,Q619698,444331,392290,
WJ000942,molybdopterin adenine dinucleotide,C20H26N10O12P2S2,"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)/t5-,6-,7+,10-,11-,18-,19-/m1/s1",XJXFAXLUOKQPAQ-YPRLVJTJSA-N,[H][C@]12NC3=C(N[C@@]1([H])C(S)=C(S)[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC4=C1N=CN=C4N)O2)C(=O)NC(N)=N3,CHEBI:62728,C19848,HMDB59628;HMDB0059628,,Q27132127,53356705,26332851,
WJ000943,3-oxopropanoic acid,C3H4O3,"InChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)",OAKURXIZZOAYBC-UHFFFAOYSA-N,[H]C(=O)CC(O)=O,CHEBI:17960,C00222,HMDB11111;HMDB0011111,,Q27102737,868,845,DTXSID90239064
WJ000944,methylglyoxal,C3H4O2,"InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3",AIJULSRZWUXGPQ-UHFFFAOYSA-N,[H]C(=O)C(C)=O,CHEBI:17158,C00546,HMDB0001167;HMDB01167,,Q903881,880,857,DTXSID0021628
WJ000945,3-(methylthio)propionic acid,C4H8O2S,"InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)",CAOMCZAIALVUPA-UHFFFAOYSA-N,CSCCC(O)=O,CHEBI:1438,C08276,HMDB01527;HMDB0001527,LMFA01130006,Q27105456,563,547,
WJ000946,4-acetamidobutanal,C6H11NO2,"InChI=1S/C6H11NO2/c1-6(9)7-4-2-3-5-8/h5H,2-4H2,1H3,(H,7,9)",DDSLGZOYEPKPSJ-UHFFFAOYSA-N,[H]C(=O)CCCNC(C)=O,CHEBI:7386,C05936,HMDB0004226;HMDB04226,,Q27107484,440850,389692,DTXSID30331531
WJ000947,nicotinic acid,C6H5NO2,"InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)",PVNIIMVLHYAWGP-UHFFFAOYSA-N,OC(=O)C1=CC=CN=C1,CHEBI:15940,C00253,HMDB0001488;HMDB01488,,Q134658,938,913,DTXSID1020932
WJ000948,NAD zwitterion,C21H27N7O14P2,"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)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",BAWFJGJZGIEFAR-NNYOXOHSSA-N,NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,,C00003,,,Q12499775,5892,5681,DTXSID2045236
WJ000949,NADH,C21H29N7O14P2,"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",BOPGDPNILDQYTO-NNYOXOHSSA-N,NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,CHEBI:16908,C00004,HMDB0001487;HMDB01487,,Q26987453,928;439153,903;388299,DTXSID30889320
WJ000950,NADP zwitterion,C21H28N7O17P3,"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)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1",XJLXINKUBYWONI-NNYOXOHSSA-N,NC(=O)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,CHEBI:44409,C00006,,,Q28747,5885,5674,DTXSID50889327
WJ000951,NADPH,C21H30N7O17P3,"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",ACFIXJIJDZMPPO-NNYOXOHSSA-N,NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O,CHEBI:16474,C00005,HMDB00221,,Q26841327,5884,5673,
WJ000952,nicotinamide,C6H6N2O,"InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)",DFPAKSUCGFBDDF-UHFFFAOYSA-N,NC(=O)C1=CC=CN=C1,CHEBI:17154,C00153,HMDB01406;HMDB0001406,,Q192423,936,911,DTXSID2020929
WJ000953,N-formyl-L-glutamic acid,C6H9NO5,"InChI=1S/C6H9NO5/c8-3-7-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1",ADZLWSMFHHHOBV-BYPYZUCNSA-N,[H]C(=O)N[C@@H](CCC(O)=O)C(O)=O,CHEBI:48309;CHEBI:21711,C01045,HMDB0003470;HMDB03470,,Q27104610,439376,388496,DTXSID80168490
WJ000954,N-formylanthranilic acid,C8H7NO3,"InChI=1S/C8H7NO3/c10-5-9-7-4-2-1-3-6(7)8(11)12/h1-5H,(H,9,10)(H,11,12)",LLLPDUXGHXIXIW-UHFFFAOYSA-N,OC(=O)C1=C(NC=O)C=CC=C1,CHEBI:36575,C05653,HMDB04089;HMDB0004089,,Q27104373,101399,91624,DTXSID70187059
WJ000955,ammonia,NH3,InChI=1S/H3N/h1H3,QGZKDVFQNNGYKY-UHFFFAOYSA-N,[H]N([H])[H],CHEBI:16134,C00014,HMDB00051;HMDB0000051,,Q4087,222,217,DTXSID0023872
WJ000956,D-ribosylnicotinate,C11H13NO6,"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",PUEDDPCUCPRQNY-ZYUZMQFOSA-N,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[N+]1=CC=CC(=C1)C([O-])=O,CHEBI:58527,,,,Q27125847,161233,141635,DTXSID20938912
WJ000957,Nicotinate D-ribonucleotide,C11H14NO9P,"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)/t7-,8-,9-,10-/m1/s1",JOUIQRNQJGXQDC-ZYUZMQFOSA-N,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)([O-])=O)[N+]1=CC(=CC=C1)C(O)=O,,,,,Q27463748,121991,108821,
WJ000958,NMN zwitterion,C11H15N2O8P,"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)/t7-,8-,9-,11-/m1/s1",DAYLJWODMCOQEW-TURQNECASA-N,NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O,CHEBI:16171,C00455,HMDB00229;HMDB0000229,,Q21547155,14180,13553,
WJ000959,all-trans-nonaprenyl diphosphate,C45H76O7P2,"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+",IVLBHBFTRNVIAP-MEGGAXOGSA-N,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O,CHEBI:18144,C04145,,LMPR03030007,Q27102851,5280650,4444250,
WJ000960,2-methoxy-3-methyl-6-all-trans-nonaprenylhydroquinone,C53H82O3,"InChI=1S/C53H82O3/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-50-49(11)51(54)39-52(56-12)53(50)55/h21,23,25,27,29,31,33,35,37,39,54-55H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+",GLNRSJSLTUCXTP-IQSNHBBHSA-N,COC1=C(O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C(O)=C1,CHEBI:84531,,,,Q27157836,50986193,34999477,
WJ000961,2-methoxy-6-all-trans-nonaprenylhydroquinone,C52H80O3,"InChI=1S/C52H80O3/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-49-38-50(53)39-51(55-11)52(49)54/h20,22,24,26,28,30,32,34,36,38-39,53-54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+",SKAOREKNLOKWTC-JSGWLJPKSA-N,COC1=C(O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=CC(O)=C1,CHEBI:84529,,,,Q27157834,50986247,34999475,
WJ000962,nonaprenyl 4-hydroxybenzoate,C52H78O3,"InChI=1S/C52H78O3/c1-41(2)19-11-20-42(3)21-12-22-43(4)23-13-24-44(5)25-14-26-45(6)27-15-28-46(7)29-16-30-47(8)31-17-32-48(9)33-18-34-49(10)39-40-55-52(54)50-35-37-51(53)38-36-50/h19,21,23,25,27,29,31,33,35-39,53H,11-18,20,22,24,26,28,30,32,34,40H2,1-10H3/b42-21+,43-23+,44-25+,45-27+,46-29+,47-31+,48-33+,49-39+",YIXNPXUQGCNFPX-RTPSYSNVSA-N,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COC(=O)C1=CC=C(O)C=C1,CHEBI:18162,,,,Q27102859,5280630,4444234,
WJ000963,(R)-noradrenaline,C8H11NO3,"InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1",SFLSHLFXELFNJZ-QMMMGPOBSA-N,NC[C@H](O)C1=CC(O)=C(O)C=C1,CHEBI:43725;CHEBI:18357,C00547,HMDB0000216;HMDB00216,,Q186242,439260,388394,DTXSID5023378
WJ000964,dioxygen,O2,InChI=1S/O2/c1-2,MYMOFIZGZYHOMD-UHFFFAOYSA-N,O=O,CHEBI:15379,C00007,HMDB0001377;HMDB01377,,Q5203615,977,952,DTXSID2037681
WJ000965,oxaloacetic acid,C4H4O5,"InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)",KHPXUQMNIQBQEV-UHFFFAOYSA-N,OC(=O)CC(=O)C(O)=O,CHEBI:30744,C00036,HMDB0000223;HMDB00223,LMFA01170120,Q408658,970,945,DTXSID8021646
WJ000966,octopamine,C8H11NO2,"InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2",QHGUCRYDKWKLMG-UHFFFAOYSA-N,NCC(O)C1=CC=C(O)C=C1,CHEBI:17134,C04227,,,Q424979,4581,4420,DTXSID7043873
WJ000967,L-ornithine,C5H12N2O2,"InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1",AHLPHDHHMVZTML-BYPYZUCNSA-N,NCCC[C@H](N)C(O)=O,CHEBI:15729,C00077,HMDB0000214;HMDB00214,,Q410198,6262,6026,DTXSID00883219
WJ000968,orotic acid,C5H4N2O4,"InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)",PXQPEWDEAKTCGB-UHFFFAOYSA-N,OC(=O)C1=CC(=O)NC(=O)N1,CHEBI:44781;CHEBI:16742,C00295,HMDB0000226;HMDB00226,,Q425536,967,942,DTXSID0025814
WJ000969,orotidine 5'-phosphate,C10H13N2O11P,"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)/t4-,6-,7-,8-/m1/s1",KYOBSHFOBAOFBF-XVFCMESISA-N,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C(=O)NC(=O)C=C1C(O)=O,CHEBI:15842,C01103,HMDB00218;HMDB0000218,,Q27098253,160617,141140,
WJ000970,osas#1,C25H37NO10,"InChI=1S/C25H37NO10/c1-15(5-3-4-6-23(31)32)34-25-19(28)13-21(16(2)35-25)36-24(33)12-11-22(30)26-14-20(29)17-7-9-18(27)10-8-17/h7-10,15-16,19-21,25,27-29H,3-6,11-14H2,1-2H3,(H,26,30)(H,31,32)/t15?,16?,19?,20-,21+,25+/m0/s1",FSXYDVILSWWULE-ISSXFYRYSA-N,[H]C(C)(CCCCC(O)=O)O[C@]1([H])OC([H])(C)[C@@]([H])(CC1([H])O)OC(=O)CCC(=O)NC[C@]([H])(O)C2=CC=C(O)C=C2,CHEBI:140786,,,,,,,
WJ000971,osas#10,C27H41NO10,"InChI=1S/C27H41NO10/c1-17(7-5-3-4-6-8-25(33)34)36-27-21(30)15-23(18(2)37-27)38-26(35)14-13-24(32)28-16-22(31)19-9-11-20(29)12-10-19/h9-12,17-18,21-23,27,29-31H,3-8,13-16H2,1-2H3,(H,28,32)(H,33,34)/t17?,18?,21?,22-,23+,27+/m0/s1",SCVSSJPXRIMMTB-QHPTULIBSA-N,[H]C(C)(CCCCCCC(O)=O)O[C@]1([H])OC([H])(C)[C@@]([H])(CC1([H])O)OC(=O)CCC(=O)NC[C@]([H])(O)C2=CC=C(O)C=C2,CHEBI:140787,,,,,,,
WJ000972,osas#9,C23H33NO10,"InChI=1S/C23H33NO10/c1-13(3-9-21(29)30)32-23-17(26)11-19(14(2)33-23)34-22(31)10-8-20(28)24-12-18(27)15-4-6-16(25)7-5-15/h4-7,13-14,17-19,23,25-27H,3,8-12H2,1-2H3,(H,24,28)(H,29,30)/t13?,14?,17?,18-,19+,23+/m0/s1",YHQWACJRIRKIAL-QYURMBASSA-N,[H]C(C)(CCC(O)=O)O[C@]1([H])OC([H])(C)[C@@]([H])(CC1([H])O)OC(=O)CCC(=O)NC[C@]([H])(O)C2=CC=C(O)C=C2,CHEBI:140788,,,,,,,
WJ000973,oscr#1,C13H24O6,"InChI=1S/C13H24O6/c1-9-10(14)8-11(15)13(19-9)18-7-5-3-2-4-6-12(16)17/h9-11,13-15H,2-8H2,1H3,(H,16,17)/t9-,10+,11+,13+/m0/s1",XHPJAFLLEKUEFS-SBFPOUOMSA-N,C[C@@H]1O[C@@H](OCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79130,,,,Q27148189,86289768,31150698,
WJ000974,oscr#10,C15H28O6,"InChI=1S/C15H28O6/c1-11-12(16)10-13(17)15(21-11)20-9-7-5-3-2-4-6-8-14(18)19/h11-13,15-17H,2-10H2,1H3,(H,18,19)/t11-,12+,13+,15+/m0/s1",WGGIJTBDSYSSPD-KYEXWDHISA-N,C[C@@H]1O[C@@H](OCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79134,,,,Q27148193,86289772,31150702,
WJ000975,oscr#10-CoA,C36H62N7O21P3S,"InChI=1S/C36H62N7O21P3S/c1-21-22(44)16-23(45)35(61-21)58-14-9-7-5-4-6-8-10-26(47)68-15-13-38-25(46)11-12-39-33(50)30(49)36(2,3)18-60-67(56,57)64-66(54,55)59-17-24-29(63-65(51,52)53)28(48)34(62-24)43-20-42-27-31(37)40-19-41-32(27)43/h19-24,28-30,34-35,44-45,48-49H,4-18H2,1-3H3,(H,38,46)(H,39,50)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/t21-,22+,23+,24+,28+,29+,30-,34+,35+/m0/s1",UYLBZZOCHBVQEC-JZHPBSJXSA-N,C[C@@H]1O[C@@H](OCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,[C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O,,,,,,,
WJ000976,oscr#12,C12H22O6,"InChI=1S/C12H22O6/c1-8-9(13)7-10(14)12(18-8)17-6-4-2-3-5-11(15)16/h8-10,12-14H,2-7H2,1H3,(H,15,16)/t8-,9+,10+,12+/m0/s1",OEQPWGGFCAQFGJ-BTQIBKBOSA-N,C[C@@H]1O[C@@H](OCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79135,,,,Q27148194,86289773,31150703,
WJ000977,oscr#12-CoA,C33H56N7O21P3S,"InChI=1S/C33H56N7O21P3S/c1-18-19(41)13-20(42)32(58-18)55-11-6-4-5-7-23(44)65-12-10-35-22(43)8-9-36-30(47)27(46)33(2,3)15-57-64(53,54)61-63(51,52)56-14-21-26(60-62(48,49)50)25(45)31(59-21)40-17-39-24-28(34)37-16-38-29(24)40/h16-21,25-27,31-32,41-42,45-46H,4-15H2,1-3H3,(H,35,43)(H,36,47)(H,51,52)(H,53,54)(H2,34,37,38)(H2,48,49,50)/t18-,19+,20+,21+,25+,26+,27-,31+,32+/m0/s1",JQSJPRMRKRGXEJ-BFRJETTRSA-N,C[C@@H]1O[C@@H](OCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:139969,,,,,,,
WJ000978,oscr#13,C14H24O6,"InChI=1S/C14H24O6/c1-10-11(15)9-12(16)14(20-10)19-8-6-4-2-3-5-7-13(17)18/h5,7,10-12,14-16H,2-4,6,8-9H2,1H3,(H,17,18)/b7-5+/t10-,11+,12+,14+/m0/s1",JAEJLIJYAKFZFG-YZSAPEPWSA-N,C[C@@H]1O[C@@H](OCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:139971,,,,,,,
WJ000979,oscr#13-CoA,C35H58N7O21P3S,"InChI=1S/C35H58N7O21P3S/c1-20-21(43)15-22(44)34(60-20)57-13-8-6-4-5-7-9-25(46)67-14-12-37-24(45)10-11-38-32(49)29(48)35(2,3)17-59-66(55,56)63-65(53,54)58-16-23-28(62-64(50,51)52)27(47)33(61-23)42-19-41-26-30(36)39-18-40-31(26)42/h7,9,18-23,27-29,33-34,43-44,47-48H,4-6,8,10-17H2,1-3H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/b9-7+/t20-,21+,22+,23+,27+,28+,29-,33+,34+/m0/s1",NCRMXPBHKCBSOG-VDQFIAQQSA-N,C[C@@H]1O[C@@H](OCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:139973,,,,,,,
WJ000980,oscr#14,C14H26O6,"InChI=1S/C14H26O6/c1-10-11(15)9-12(16)14(20-10)19-8-6-4-2-3-5-7-13(17)18/h10-12,14-16H,2-9H2,1H3,(H,17,18)/t10-,11+,12+,14+/m0/s1",DJYKCDSAKUJQRP-FMCLSXCISA-N,C[C@@H]1O[C@@H](OCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79136,,,,Q27148195,86289774,31150704,
WJ000981,oscr#14-CoA,C35H60N7O21P3S,"InChI=1S/C35H60N7O21P3S/c1-20-21(43)15-22(44)34(60-20)57-13-8-6-4-5-7-9-25(46)67-14-12-37-24(45)10-11-38-32(49)29(48)35(2,3)17-59-66(55,56)63-65(53,54)58-16-23-28(62-64(50,51)52)27(47)33(61-23)42-19-41-26-30(36)39-18-40-31(26)42/h18-23,27-29,33-34,43-44,47-48H,4-17H2,1-3H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/t20-,21+,22+,23+,27+,28+,29-,33+,34+/m0/s1",LNESMCNAVCENOY-VWQWRKPCSA-N,C[C@@H]1O[C@@H](OCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:139976,,,,,,,
WJ000982,oscr#15,C16H28O6,"InChI=1S/C16H28O6/c1-12-13(17)11-14(18)16(22-12)21-10-8-6-4-2-3-5-7-9-15(19)20/h7,9,12-14,16-18H,2-6,8,10-11H2,1H3,(H,19,20)/b9-7+/t12-,13+,14+,16+/m0/s1",LNUSDHULQVPZFO-RYJVCDSQSA-N,C[C@@H]1O[C@@H](OCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79137,,,,Q27148196,86289775,31150705,
WJ000983,oscr#15-CoA,C37H62N7O21P3S,"InChI=1S/C37H62N7O21P3S/c1-22-23(45)17-24(46)36(62-22)59-15-10-8-6-4-5-7-9-11-27(48)69-16-14-39-26(47)12-13-40-34(51)31(50)37(2,3)19-61-68(57,58)65-67(55,56)60-18-25-30(64-66(52,53)54)29(49)35(63-25)44-21-43-28-32(38)41-20-42-33(28)44/h9,11,20-25,29-31,35-36,45-46,49-50H,4-8,10,12-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/b11-9+/t22-,23+,24+,25+,29+,30+,31-,35+,36+/m0/s1",LMCSNKVRWFPNBK-RJINDJSTSA-N,C[C@@H]1O[C@@H](OCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:139979,,,,,,,
WJ000984,oscr#16,C16H30O6,"InChI=1S/C16H30O6/c1-12-13(17)11-14(18)16(22-12)21-10-8-6-4-2-3-5-7-9-15(19)20/h12-14,16-18H,2-11H2,1H3,(H,19,20)/t12-,13+,14+,16+/m0/s1",KRXDKQWKJIZPMU-DSJMHWKBSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79138,,,,Q27148198,86289776,31150706,
WJ000985,oscr#16-CoA,C37H64N7O21P3S,"InChI=1S/C37H64N7O21P3S/c1-22-23(45)17-24(46)36(62-22)59-15-10-8-6-4-5-7-9-11-27(48)69-16-14-39-26(47)12-13-40-34(51)31(50)37(2,3)19-61-68(57,58)65-67(55,56)60-18-25-30(64-66(52,53)54)29(49)35(63-25)44-21-43-28-32(38)41-20-42-33(28)44/h20-25,29-31,35-36,45-46,49-50H,4-19H2,1-3H3,(H,39,47)(H,40,51)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/t22-,23+,24+,25+,29+,30+,31-,35+,36+/m0/s1",IWCGIYWOOJAKFW-RDOYHACNSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:139982,,,,,,,
WJ000986,oscr#17,C17H30O6,"InChI=1S/C17H30O6/c1-13-14(18)12-15(19)17(23-13)22-11-9-7-5-3-2-4-6-8-10-16(20)21/h8,10,13-15,17-19H,2-7,9,11-12H2,1H3,(H,20,21)/b10-8+/t13-,14+,15+,17+/m0/s1",FDWVWTCEWSMDGI-DSKDDBFVSA-N,C[C@@H]1O[C@@H](OCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79139,,,,Q27148199,86289777,31150707,
WJ000987,oscr#17-CoA,C38H64N7O21P3S,"InChI=1S/C38H64N7O21P3S/c1-23-24(46)18-25(47)37(63-23)60-16-11-9-7-5-4-6-8-10-12-28(49)70-17-15-40-27(48)13-14-41-35(52)32(51)38(2,3)20-62-69(58,59)66-68(56,57)61-19-26-31(65-67(53,54)55)30(50)36(64-26)45-22-44-29-33(39)42-21-43-34(29)45/h10,12,21-26,30-32,36-37,46-47,50-51H,4-9,11,13-20H2,1-3H3,(H,40,48)(H,41,52)(H,56,57)(H,58,59)(H2,39,42,43)(H2,53,54,55)/b12-10+/t23-,24+,25+,26+,30+,31+,32-,36+,37+/m0/s1",GHHPCXNTFSLEKS-NBZNUMONSA-N,C[C@@H]1O[C@@H](OCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:139985,,,,,,,
WJ000988,oscr#18,C17H32O6,"InChI=1S/C17H32O6/c1-13-14(18)12-15(19)17(23-13)22-11-9-7-5-3-2-4-6-8-10-16(20)21/h13-15,17-19H,2-12H2,1H3,(H,20,21)/t13-,14+,15+,17+/m0/s1",GEMAYWCAMMUVTD-KLZNWCGWSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79140,,,,Q27148200,86289778,31150708,
WJ000989,oscr#18-CoA,C38H66N7O21P3S,"InChI=1S/C38H66N7O21P3S/c1-23-24(46)18-25(47)37(63-23)60-16-11-9-7-5-4-6-8-10-12-28(49)70-17-15-40-27(48)13-14-41-35(52)32(51)38(2,3)20-62-69(58,59)66-68(56,57)61-19-26-31(65-67(53,54)55)30(50)36(64-26)45-22-44-29-33(39)42-21-43-34(29)45/h21-26,30-32,36-37,46-47,50-51H,4-20H2,1-3H3,(H,40,48)(H,41,52)(H,56,57)(H,58,59)(H2,39,42,43)(H2,53,54,55)/t23-,24+,25+,26+,30+,31+,32-,36+,37+/m0/s1",JNWMSLBBCWLNKD-LVUHESDLSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:139988,,,,,,,
WJ000990,oscr#19,C18H32O6,"InChI=1S/C18H32O6/c1-14-15(19)13-16(20)18(24-14)23-12-10-8-6-4-2-3-5-7-9-11-17(21)22/h9,11,14-16,18-20H,2-8,10,12-13H2,1H3,(H,21,22)/b11-9+/t14-,15+,16+,18+/m0/s1",CBFGNQUTSUMTTO-XIWSQWRSSA-N,C[C@@H]1O[C@@H](OCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79141,,,,Q27148201,86289779,31150709,
WJ000991,oscr#19-CoA,C39H66N7O21P3S,"InChI=1S/C39H66N7O21P3S/c1-24-25(47)19-26(48)38(64-24)61-17-12-10-8-6-4-5-7-9-11-13-29(50)71-18-16-41-28(49)14-15-42-36(53)33(52)39(2,3)21-63-70(59,60)67-69(57,58)62-20-27-32(66-68(54,55)56)31(51)37(65-27)46-23-45-30-34(40)43-22-44-35(30)46/h11,13,22-27,31-33,37-38,47-48,51-52H,4-10,12,14-21H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/b13-11+/t24-,25+,26+,27+,31+,32+,33-,37+,38+/m0/s1",AGJNHWXQEDNTLB-UZROWNAUSA-N,C[C@@H]1O[C@@H](OCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:139991,,,,,,,
WJ000992,oscr#1-CoA,C34H58N7O21P3S,"InChI=1S/C34H58N7O21P3S/c1-19-20(42)14-21(43)33(59-19)56-12-7-5-4-6-8-24(45)66-13-11-36-23(44)9-10-37-31(48)28(47)34(2,3)16-58-65(54,55)62-64(52,53)57-15-22-27(61-63(49,50)51)26(46)32(60-22)41-18-40-25-29(35)38-17-39-30(25)41/h17-22,26-28,32-33,42-43,46-47H,4-16H2,1-3H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/t19-,20+,21+,22+,26+,27+,28-,32+,33+/m0/s1",OVQXUWRJYQBXHL-DOBPLDRNSA-N,C[C@@H]1O[C@@H](OCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:139993,,,,,,,
WJ000993,oscr#20,C18H34O6,"InChI=1S/C18H34O6/c1-14-15(19)13-16(20)18(24-14)23-12-10-8-6-4-2-3-5-7-9-11-17(21)22/h14-16,18-20H,2-13H2,1H3,(H,21,22)/t14-,15+,16+,18+/m0/s1",HTPFVTWQRWJPNG-BVIKNXMNSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79142,,,,Q27148202,86289780,31150710,
WJ000994,oscr#20-CoA,C39H68N7O21P3S,"InChI=1S/C39H68N7O21P3S/c1-24-25(47)19-26(48)38(64-24)61-17-12-10-8-6-4-5-7-9-11-13-29(50)71-18-16-41-28(49)14-15-42-36(53)33(52)39(2,3)21-63-70(59,60)67-69(57,58)62-20-27-32(66-68(54,55)56)31(51)37(65-27)46-23-45-30-34(40)43-22-44-35(30)46/h22-27,31-33,37-38,47-48,51-52H,4-21H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/t24-,25+,26+,27+,31+,32+,33-,37+,38+/m0/s1",JURFBLSMNHCOJT-AOYMGUKVSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:139996,,,,,,,
WJ000995,oscr#21,C19H34O6,"InChI=1S/C19H34O6/c1-15-16(20)14-17(21)19(25-15)24-13-11-9-7-5-3-2-4-6-8-10-12-18(22)23/h10,12,15-17,19-21H,2-9,11,13-14H2,1H3,(H,22,23)/b12-10+/t15-,16+,17+,19+/m0/s1",DEQPIGLSNWHDFR-VATKAKJBSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79143,,,,Q27148203,86289781,31150711,
WJ000996,oscr#21-CoA,C40H68N7O21P3S,"InChI=1S/C40H68N7O21P3S/c1-25-26(48)20-27(49)39(65-25)62-18-13-11-9-7-5-4-6-8-10-12-14-30(51)72-19-17-42-29(50)15-16-43-37(54)34(53)40(2,3)22-64-71(60,61)68-70(58,59)63-21-28-33(67-69(55,56)57)32(52)38(66-28)47-24-46-31-35(41)44-23-45-36(31)47/h12,14,23-28,32-34,38-39,48-49,52-53H,4-11,13,15-22H2,1-3H3,(H,42,50)(H,43,54)(H,58,59)(H,60,61)(H2,41,44,45)(H2,55,56,57)/b14-12+/t25-,26+,27+,28+,32+,33+,34-,38+,39+/m0/s1",NLXRDQDURDPQJS-OMVAVZHESA-N,C[C@@H]1O[C@@H](OCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:139999,,,,,,,
WJ000997,oscr#22,C19H36O6,"InChI=1S/C19H36O6/c1-15-16(20)14-17(21)19(25-15)24-13-11-9-7-5-3-2-4-6-8-10-12-18(22)23/h15-17,19-21H,2-14H2,1H3,(H,22,23)/t15-,16+,17+,19+/m0/s1",BMAOWSPJJLOKGM-DODZYUBVSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79144,,,,Q27148204,86289782,31150712,
WJ000998,oscr#22-CoA,C40H70N7O21P3S,"InChI=1S/C40H70N7O21P3S/c1-25-26(48)20-27(49)39(65-25)62-18-13-11-9-7-5-4-6-8-10-12-14-30(51)72-19-17-42-29(50)15-16-43-37(54)34(53)40(2,3)22-64-71(60,61)68-70(58,59)63-21-28-33(67-69(55,56)57)32(52)38(66-28)47-24-46-31-35(41)44-23-45-36(31)47/h23-28,32-34,38-39,48-49,52-53H,4-22H2,1-3H3,(H,42,50)(H,43,54)(H,58,59)(H,60,61)(H2,41,44,45)(H2,55,56,57)/t25-,26+,27+,28+,32+,33+,34-,38+,39+/m0/s1",DTVLDKUERDZHEY-CHHPSRDKSA-N,[C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCC(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)=O,CHEBI:140002,,,,,,,
WJ000999,oscr#23,C20H36O6,"InChI=1S/C20H36O6/c1-16-17(21)15-18(22)20(26-16)25-14-12-10-8-6-4-2-3-5-7-9-11-13-19(23)24/h11,13,16-18,20-22H,2-10,12,14-15H2,1H3,(H,23,24)/b13-11+/t16-,17+,18+,20+/m0/s1",DIYWZICECWKTIT-XKCSVMQCSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79145,,,,Q27148205,86289783,31150713,
WJ001000,oscr#23-CoA,C41H70N7O21P3S,"InChI=1S/C41H70N7O21P3S/c1-26-27(49)21-28(50)40(66-26)63-19-14-12-10-8-6-4-5-7-9-11-13-15-31(52)73-20-18-43-30(51)16-17-44-38(55)35(54)41(2,3)23-65-72(61,62)69-71(59,60)64-22-29-34(68-70(56,57)58)33(53)39(67-29)48-25-47-32-36(42)45-24-46-37(32)48/h13,15,24-29,33-35,39-40,49-50,53-54H,4-12,14,16-23H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/b15-13+/t26-,27+,28+,29+,33+,34+,35-,39+,40+/m0/s1",PAKGTMACELCLNY-RWZDZKQQSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140005,,,,,,,
WJ001001,oscr#24,C20H38O6,"InChI=1S/C20H38O6/c1-16-17(21)15-18(22)20(26-16)25-14-12-10-8-6-4-2-3-5-7-9-11-13-19(23)24/h16-18,20-22H,2-15H2,1H3,(H,23,24)/t16-,17+,18+,20+/m0/s1",ODXIHYQVXXYLQK-JRBPQWBISA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79146,,,,Q27148206,86289784,31150714,
WJ001002,oscr#24-CoA,C41H72N7O21P3S,"InChI=1S/C41H72N7O21P3S/c1-26-27(49)21-28(50)40(66-26)63-19-14-12-10-8-6-4-5-7-9-11-13-15-31(52)73-20-18-43-30(51)16-17-44-38(55)35(54)41(2,3)23-65-72(61,62)69-71(59,60)64-22-29-34(68-70(56,57)58)33(53)39(67-29)48-25-47-32-36(42)45-24-46-37(32)48/h24-29,33-35,39-40,49-50,53-54H,4-23H2,1-3H3,(H,43,51)(H,44,55)(H,59,60)(H,61,62)(H2,42,45,46)(H2,56,57,58)/t26-,27+,28+,29+,33+,34+,35-,39+,40+/m0/s1",OFGPNJKKYRFFPP-SKJBWMQWSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140008,,,,,,,
WJ001003,oscr#25,C21H38O6,"InChI=1S/C21H38O6/c1-17-18(22)16-19(23)21(27-17)26-15-13-11-9-7-5-3-2-4-6-8-10-12-14-20(24)25/h12,14,17-19,21-23H,2-11,13,15-16H2,1H3,(H,24,25)/b14-12+/t17-,18+,19+,21+/m0/s1",FOEYOFVRRORADU-KMIVUYPQSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79147,,,,Q27148207,86289785,31150715,
WJ001004,oscr#25-CoA,C42H72N7O21P3S,"InChI=1S/C42H72N7O21P3S/c1-27-28(50)22-29(51)41(67-27)64-20-15-13-11-9-7-5-4-6-8-10-12-14-16-32(53)74-21-19-44-31(52)17-18-45-39(56)36(55)42(2,3)24-66-73(62,63)70-72(60,61)65-23-30-35(69-71(57,58)59)34(54)40(68-30)49-26-48-33-37(43)46-25-47-38(33)49/h14,16,25-30,34-36,40-41,50-51,54-55H,4-13,15,17-24H2,1-3H3,(H,44,52)(H,45,56)(H,60,61)(H,62,63)(H2,43,46,47)(H2,57,58,59)/b16-14+/t27-,28+,29+,30+,34+,35+,36-,40+,41+/m0/s1",KDCIKDSBHWEIJJ-ODGANHKRSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140011,,,,,,,
WJ001005,oscr#26,C21H40O6,"InChI=1S/C21H40O6/c1-17-18(22)16-19(23)21(27-17)26-15-13-11-9-7-5-3-2-4-6-8-10-12-14-20(24)25/h17-19,21-23H,2-16H2,1H3,(H,24,25)/t17-,18+,19+,21+/m0/s1",PWLVZSHZFIGCNL-QEUVDIPISA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79148,,,,Q27148208,86289786,31150716,
WJ001006,oscr#26-CoA,C42H74N7O21P3S,"InChI=1S/C42H74N7O21P3S/c1-27-28(50)22-29(51)41(67-27)64-20-15-13-11-9-7-5-4-6-8-10-12-14-16-32(53)74-21-19-44-31(52)17-18-45-39(56)36(55)42(2,3)24-66-73(62,63)70-72(60,61)65-23-30-35(69-71(57,58)59)34(54)40(68-30)49-26-48-33-37(43)46-25-47-38(33)49/h25-30,34-36,40-41,50-51,54-55H,4-24H2,1-3H3,(H,44,52)(H,45,56)(H,60,61)(H,62,63)(H2,43,46,47)(H2,57,58,59)/t27-,28+,29+,30+,34+,35+,36-,40+,41+/m0/s1",FAVHHBQJQSZSBU-MZQHRNGTSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140014,,,,,,,
WJ001007,oscr#27,C22H40O6,"InChI=1S/C22H40O6/c1-18-19(23)17-20(24)22(28-18)27-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-21(25)26/h13,15,18-20,22-24H,2-12,14,16-17H2,1H3,(H,25,26)/b15-13+/t18-,19+,20+,22+/m0/s1",BEKLYIAFACFFDO-UPBMBJRSSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79149,,,,Q27148209,86289787,31150717,
WJ001008,oscr#27-CoA,C43H74N7O21P3S,"InChI=1S/C43H74N7O21P3S/c1-28-29(51)23-30(52)42(68-28)65-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-33(54)75-22-20-45-32(53)18-19-46-40(57)37(56)43(2,3)25-67-74(63,64)71-73(61,62)66-24-31-36(70-72(58,59)60)35(55)41(69-31)50-27-49-34-38(44)47-26-48-39(34)50/h15,17,26-31,35-37,41-42,51-52,55-56H,4-14,16,18-25H2,1-3H3,(H,45,53)(H,46,57)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/b17-15+/t28-,29+,30+,31+,35+,36+,37-,41+,42+/m0/s1",DBOIUUAZTAJZKQ-FHNNOFDASA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140017,,,,,,,
WJ001009,oscr#28,C22H42O6,"InChI=1S/C22H42O6/c1-18-19(23)17-20(24)22(28-18)27-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-21(25)26/h18-20,22-24H,2-17H2,1H3,(H,25,26)/t18-,19+,20+,22+/m0/s1",RARJQAOGTFMPFZ-GPQLQYNLSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79150,,,,Q27148210,86289788,31150718,
WJ001010,oscr#28-CoA,C43H76N7O21P3S,"InChI=1S/C43H76N7O21P3S/c1-28-29(51)23-30(52)42(68-28)65-21-16-14-12-10-8-6-4-5-7-9-11-13-15-17-33(54)75-22-20-45-32(53)18-19-46-40(57)37(56)43(2,3)25-67-74(63,64)71-73(61,62)66-24-31-36(70-72(58,59)60)35(55)41(69-31)50-27-49-34-38(44)47-26-48-39(34)50/h26-31,35-37,41-42,51-52,55-56H,4-25H2,1-3H3,(H,45,53)(H,46,57)(H,61,62)(H,63,64)(H2,44,47,48)(H2,58,59,60)/t28-,29+,30+,31+,35+,36+,37-,41+,42+/m0/s1",SPQAPMAVWBBSLB-NTLUYEGJSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140020,,,,,,,
WJ001011,oscr#29,C23H42O6,"InChI=1S/C23H42O6/c1-19-20(24)18-21(25)23(29-19)28-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(26)27/h14,16,19-21,23-25H,2-13,15,17-18H2,1H3,(H,26,27)/b16-14+/t19-,20+,21+,23+/m0/s1",HJPCXYKWUOGDSW-KRSIWRBNSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79151,,,,Q27148211,86289789,31150719,
WJ001012,oscr#29-CoA,C44H76N7O21P3S,"InChI=1S/C44H76N7O21P3S/c1-29-30(52)24-31(53)43(69-29)66-22-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-34(55)76-23-21-46-33(54)19-20-47-41(58)38(57)44(2,3)26-68-75(64,65)72-74(62,63)67-25-32-37(71-73(59,60)61)36(56)42(70-32)51-28-50-35-39(45)48-27-49-40(35)51/h16,18,27-32,36-38,42-43,52-53,56-57H,4-15,17,19-26H2,1-3H3,(H,46,54)(H,47,58)(H,62,63)(H,64,65)(H2,45,48,49)(H2,59,60,61)/b18-16+/t29-,30+,31+,32+,36+,37+,38-,42+,43+/m0/s1",PNUYOAIQMPSVSF-FVITZMBHSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140023,,,,,,,
WJ001013,oscr#3,C15H26O6,"InChI=1S/C15H26O6/c1-11-12(16)10-13(17)15(21-11)20-9-7-5-3-2-4-6-8-14(18)19/h6,8,11-13,15-17H,2-5,7,9-10H2,1H3,(H,18,19)/b8-6+/t11-,12+,13+,15+/m0/s1",CYRZSEWKKCHVSI-XHDDSBKUSA-N,C[C@@H]1O[C@@H](OCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79131,,,,Q27148190,86289769,31150699,
WJ001014,oscr#30,C23H44O6,"InChI=1S/C23H44O6/c1-19-20(24)18-21(25)23(29-19)28-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(26)27/h19-21,23-25H,2-18H2,1H3,(H,26,27)/t19-,20+,21+,23+/m0/s1",CESZWWHNRSDDNY-ZZLPTCMGSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79152,,,,Q27148212,86289790,31150720,
WJ001015,oscr#30-CoA,C44H78N7O21P3S,"InChI=1S/C44H78N7O21P3S/c1-29-30(52)24-31(53)43(69-29)66-22-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-34(55)76-23-21-46-33(54)19-20-47-41(58)38(57)44(2,3)26-68-75(64,65)72-74(62,63)67-25-32-37(71-73(59,60)61)36(56)42(70-32)51-28-50-35-39(45)48-27-49-40(35)51/h27-32,36-38,42-43,52-53,56-57H,4-26H2,1-3H3,(H,46,54)(H,47,58)(H,62,63)(H,64,65)(H2,45,48,49)(H2,59,60,61)/t29-,30+,31+,32+,36+,37+,38-,42+,43+/m0/s1",NFHBZTOXWBZNFL-OVBGKJABSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140027,,,,,,,
WJ001016,oscr#31,C24H44O6,"InChI=1S/C24H44O6/c1-20-21(25)19-22(26)24(30-20)29-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23(27)28/h15,17,20-22,24-26H,2-14,16,18-19H2,1H3,(H,27,28)/b17-15+/t20-,21+,22+,24+/m0/s1",VXOVWFJOWNESCS-PGYXGQNHSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79153,,,,Q27148213,86289791,31150721,
WJ001017,oscr#31-CoA,C45H78N7O21P3S,"InChI=1S/C45H78N7O21P3S/c1-30-31(53)25-32(54)44(70-30)67-23-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-35(56)77-24-22-47-34(55)20-21-48-42(59)39(58)45(2,3)27-69-76(65,66)73-75(63,64)68-26-33-38(72-74(60,61)62)37(57)43(71-33)52-29-51-36-40(46)49-28-50-41(36)52/h17,19,28-33,37-39,43-44,53-54,57-58H,4-16,18,20-27H2,1-3H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/b19-17+/t30-,31+,32+,33+,37+,38+,39-,43+,44+/m0/s1",CQFCWTFGTVZYLJ-YHIYKHASSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140030,,,,,,,
WJ001018,oscr#32,C24H46O6,"InChI=1S/C24H46O6/c1-20-21(25)19-22(26)24(30-20)29-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23(27)28/h20-22,24-26H,2-19H2,1H3,(H,27,28)/t20-,21+,22+,24+/m0/s1",IBSHVVRARSKTDE-JVNMPXIPSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79154,,,,Q27148214,86289792,31150722,
WJ001019,oscr#32-CoA,C45H80N7O21P3S,"InChI=1S/C45H80N7O21P3S/c1-30-31(53)25-32(54)44(70-30)67-23-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-35(56)77-24-22-47-34(55)20-21-48-42(59)39(58)45(2,3)27-69-76(65,66)73-75(63,64)68-26-33-38(72-74(60,61)62)37(57)43(71-33)52-29-51-36-40(46)49-28-50-41(36)52/h28-33,37-39,43-44,53-54,57-58H,4-27H2,1-3H3,(H,47,55)(H,48,59)(H,63,64)(H,65,66)(H2,46,49,50)(H2,60,61,62)/t30-,31+,32+,33+,37+,38+,39-,43+,44+/m0/s1",BJOUIQKXTWDKHE-HWURDKBHSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140033,,,,,,,
WJ001020,oscr#33,C25H46O6,"InChI=1S/C25H46O6/c1-21-22(26)20-23(27)25(31-21)30-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-24(28)29/h16,18,21-23,25-27H,2-15,17,19-20H2,1H3,(H,28,29)/b18-16+/t21-,22+,23+,25+/m0/s1",JXUDLBNWOUZIRD-KBTOCMJJSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79155,,,,Q27148215,86289793,31150723,
WJ001021,oscr#33-CoA,C46H80N7O21P3S,"InChI=1S/C46H80N7O21P3S/c1-31-32(54)26-33(55)45(71-31)68-24-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-36(57)78-25-23-48-35(56)21-22-49-43(60)40(59)46(2,3)28-70-77(66,67)74-76(64,65)69-27-34-39(73-75(61,62)63)38(58)44(72-34)53-30-52-37-41(47)50-29-51-42(37)53/h18,20,29-34,38-40,44-45,54-55,58-59H,4-17,19,21-28H2,1-3H3,(H,48,56)(H,49,60)(H,64,65)(H,66,67)(H2,47,50,51)(H2,61,62,63)/b20-18+/t31-,32+,33+,34+,38+,39+,40-,44+,45+/m0/s1",WZVQWQTVGATIDP-AEAONTGWSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140036,,,,,,,
WJ001022,oscr#34,C25H48O6,"InChI=1S/C25H48O6/c1-21-22(26)20-23(27)25(31-21)30-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-24(28)29/h21-23,25-27H,2-20H2,1H3,(H,28,29)/t21-,22+,23+,25+/m0/s1",DUCJPMRHUUCBAA-XJTUCQONSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79156,,,,Q27148217,86289794,31150724,
WJ001023,oscr#34-CoA,C46H82N7O21P3S,"InChI=1S/C46H82N7O21P3S/c1-31-32(54)26-33(55)45(71-31)68-24-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-36(57)78-25-23-48-35(56)21-22-49-43(60)40(59)46(2,3)28-70-77(66,67)74-76(64,65)69-27-34-39(73-75(61,62)63)38(58)44(72-34)53-30-52-37-41(47)50-29-51-42(37)53/h29-34,38-40,44-45,54-55,58-59H,4-28H2,1-3H3,(H,48,56)(H,49,60)(H,64,65)(H,66,67)(H2,47,50,51)(H2,61,62,63)/t31-,32+,33+,34+,38+,39+,40-,44+,45+/m0/s1",SYFCNFVPUJTCLL-OTIHBAEMSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140039,,,,,,,
WJ001024,oscr#35,C26H48O6,"InChI=1S/C26H48O6/c1-22-23(27)21-24(28)26(32-22)31-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-25(29)30/h17,19,22-24,26-28H,2-16,18,20-21H2,1H3,(H,29,30)/b19-17+/t22-,23+,24+,26+/m0/s1",AIUNLQUMHTUTNR-YHGVQZPQSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79157,,,,Q27148218,86289795,31150725,
WJ001025,oscr#35-CoA,C47H82N7O21P3S,"InChI=1S/C47H82N7O21P3S/c1-32-33(55)27-34(56)46(72-32)69-25-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-37(58)79-26-24-49-36(57)22-23-50-44(61)41(60)47(2,3)29-71-78(67,68)75-77(65,66)70-28-35-40(74-76(62,63)64)39(59)45(73-35)54-31-53-38-42(48)51-30-52-43(38)54/h19,21,30-35,39-41,45-46,55-56,59-60H,4-18,20,22-29H2,1-3H3,(H,49,57)(H,50,61)(H,65,66)(H,67,68)(H2,48,51,52)(H2,62,63,64)/b21-19+/t32-,33+,34+,35+,39+,40+,41-,45+,46+/m0/s1",OHCFXYRJFYDIDU-NDHIWMSKSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140042,,,,,,,
WJ001026,oscr#36,C26H50O6,"InChI=1S/C26H50O6/c1-22-23(27)21-24(28)26(32-22)31-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-25(29)30/h22-24,26-28H,2-21H2,1H3,(H,29,30)/t22-,23+,24+,26+/m0/s1",NALXHMIWEUPQCH-POMLREGLSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79158,,,,Q27148219,86289796,31150726,
WJ001027,oscr#36-CoA,C47H84N7O21P3S,"InChI=1S/C47H84N7O21P3S/c1-32-33(55)27-34(56)46(72-32)69-25-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-37(58)79-26-24-49-36(57)22-23-50-44(61)41(60)47(2,3)29-71-78(67,68)75-77(65,66)70-28-35-40(74-76(62,63)64)39(59)45(73-35)54-31-53-38-42(48)51-30-52-43(38)54/h30-35,39-41,45-46,55-56,59-60H,4-29H2,1-3H3,(H,49,57)(H,50,61)(H,65,66)(H,67,68)(H2,48,51,52)(H2,62,63,64)/t32-,33+,34+,35+,39+,40+,41-,45+,46+/m0/s1",CTDISUDSHUNLOZ-LTSXADRNSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140045,,,,,,,
WJ001028,oscr#37,C27H50O6,"InChI=1S/C27H50O6/c1-23-24(28)22-25(29)27(33-23)32-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-26(30)31/h18,20,23-25,27-29H,2-17,19,21-22H2,1H3,(H,30,31)/b20-18+/t23-,24+,25+,27+/m0/s1",YMUPCHCSOKFFDA-SFLGVXOSSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79159,,,,Q27148220,86289797,31150727,
WJ001029,oscr#37-CoA,C48H84N7O21P3S,"InChI=1S/C48H84N7O21P3S/c1-33-34(56)28-35(57)47(73-33)70-26-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-38(59)80-27-25-50-37(58)23-24-51-45(62)42(61)48(2,3)30-72-79(68,69)76-78(66,67)71-29-36-41(75-77(63,64)65)40(60)46(74-36)55-32-54-39-43(49)52-31-53-44(39)55/h20,22,31-36,40-42,46-47,56-57,60-61H,4-19,21,23-30H2,1-3H3,(H,50,58)(H,51,62)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/b22-20+/t33-,34+,35+,36+,40+,41+,42-,46+,47+/m0/s1",JKBOXTKVZYBYDR-AYXSMRJJSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140048,,,,,,,
WJ001030,oscr#38,C27H52O6,"InChI=1S/C27H52O6/c1-23-24(28)22-25(29)27(33-23)32-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-26(30)31/h23-25,27-29H,2-22H2,1H3,(H,30,31)/t23-,24+,25+,27+/m0/s1",QTWKPFXARCNFRK-AMBDWCSGSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79160,,,,Q27148221,86289798,31150728,
WJ001031,oscr#38-CoA,C48H86N7O21P3S,"InChI=1S/C48H86N7O21P3S/c1-33-34(56)28-35(57)47(73-33)70-26-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-38(59)80-27-25-50-37(58)23-24-51-45(62)42(61)48(2,3)30-72-79(68,69)76-78(66,67)71-29-36-41(75-77(63,64)65)40(60)46(74-36)55-32-54-39-43(49)52-31-53-44(39)55/h31-36,40-42,46-47,56-57,60-61H,4-30H2,1-3H3,(H,50,58)(H,51,62)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/t33-,34+,35+,36+,40+,41+,42-,46+,47+/m0/s1",BZTMDVZMLLOZOH-IQHOFBPQSA-N,C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140051,,,,,,,
WJ001032,oscr#3-CoA,C36H60N7O21P3S,"InChI=1S/C36H60N7O21P3S/c1-21-22(44)16-23(45)35(61-21)58-14-9-7-5-4-6-8-10-26(47)68-15-13-38-25(46)11-12-39-33(50)30(49)36(2,3)18-60-67(56,57)64-66(54,55)59-17-24-29(63-65(51,52)53)28(48)34(62-24)43-20-42-27-31(37)40-19-41-32(27)43/h8,10,19-24,28-30,34-35,44-45,48-49H,4-7,9,11-18H2,1-3H3,(H,38,46)(H,39,50)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/b10-8+/t21-,22+,23+,24+,28+,29+,30-,34+,35+/m0/s1",HDPRLFGUCIUTAV-FVVVJHBGSA-N,C[C@@H]1O[C@@H](OCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140053,,,,,,,
WJ001033,oscr#7,C13H22O6,"InChI=1S/C13H22O6/c1-9-10(14)8-11(15)13(19-9)18-7-5-3-2-4-6-12(16)17/h4,6,9-11,13-15H,2-3,5,7-8H2,1H3,(H,16,17)/b6-4+/t9-,10+,11+,13+/m0/s1",PECXANWMSPKDGB-XROMHLQASA-N,C[C@@H]1O[C@@H](OCCCC\C=C\C(O)=O)[C@H](O)C[C@H]1O,CHEBI:79132,,,,Q27148191,86289770,31150700,
WJ001034,oscr#7-CoA,C34H56N7O21P3S,"InChI=1S/C34H56N7O21P3S/c1-19-20(42)14-21(43)33(59-19)56-12-7-5-4-6-8-24(45)66-13-11-36-23(44)9-10-37-31(48)28(47)34(2,3)16-58-65(54,55)62-64(52,53)57-15-22-27(61-63(49,50)51)26(46)32(60-22)41-18-40-25-29(35)38-17-39-30(25)41/h6,8,17-22,26-28,32-33,42-43,46-47H,4-5,7,9-16H2,1-3H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/b8-6+/t19-,20+,21+,22+,26+,27+,28-,32+,33+/m0/s1",ZQRUHCIHYLDUGE-YAOUEKBHSA-N,C[C@@H]1O[C@@H](OCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140056,,,,,,,
WJ001035,oscr#9,C11H20O6,"InChI=1S/C11H20O6/c1-7-8(12)6-9(13)11(17-7)16-5-3-2-4-10(14)15/h7-9,11-13H,2-6H2,1H3,(H,14,15)/t7-,8+,9+,11+/m0/s1",RGLRYSHQCRBEIV-YSSBGUOXSA-N,C[C@@H]1O[C@@H](OCCCCC(O)=O)[C@H](O)C[C@H]1O,CHEBI:79133,,,,Q27148192,86289771,31150701,
WJ001036,oscr#9-CoA,C32H54N7O21P3S,"InChI=1S/C32H54N7O21P3S/c1-17-18(40)12-19(41)31(57-17)54-10-5-4-6-22(43)64-11-9-34-21(42)7-8-35-29(46)26(45)32(2,3)14-56-63(52,53)60-62(50,51)55-13-20-25(59-61(47,48)49)24(44)30(58-20)39-16-38-23-27(33)36-15-37-28(23)39/h15-20,24-26,30-31,40-41,44-45H,4-14H2,1-3H3,(H,34,42)(H,35,46)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/t17-,18+,19+,20+,24+,25+,26-,30+,31+/m0/s1",OJJVYBQJWBBERR-XKGQWQQESA-N,C[C@@H]1O[C@@H](OCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=NC3=C2N=CN=C3N)[C@H](O)C[C@H]1O,CHEBI:140059,,,,Q27456522,121493984,,
WJ001037,oxalic acid,C2H2O4,"InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)",MUBZPKHOEPUJKR-UHFFFAOYSA-N,OC(=O)C(O)=O,CHEBI:44583;CHEBI:16995,C00209,HMDB02329;HMDB0002329,LMFA01170031,Q184832,971,946,DTXSID0025816
WJ001038,2-phenylacetamide,C8H9NO,"InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)",LSBDFXRDZJMBSC-UHFFFAOYSA-N,NC(=O)CC1=CC=CC=C1,CHEBI:16562,C02505,HMDB10715;HMDB0010715,,Q27101974,7680,7397,DTXSID1059282
WJ001039,pantetheine 4'-phosphate,C11H23N2O7PS,"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)",JDMUPRLRUUMCTL-UHFFFAOYSA-N,CC(C)(COP(O)(O)=O)C(O)C(=O)NCCC(=O)NCCS,CHEBI:16858,C01134,HMDB01416;HMDB0001416,,Q27102113,987,962,
WJ001040,"adenosine 3',5'-bismonophosphate",C10H15N5O10P2,"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)/t4-,6-,7-,10-/m1/s1",WHTCPDAXWFLDIH-KQYNXXCUSA-N,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,CHEBI:17985,C00054,HMDB00061;HMDB0000061,,Q2825485,159296,140102,
WJ001041,3'-phospho-5'-adenylyl sulfate,C10H15N5O13P2S,"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)/t4-,6-,7-,10-/m1/s1",GACDQMDRPRGCTN-KQYNXXCUSA-N,NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O,CHEBI:17980,C00053,HMDB0001134;HMDB01134,,Q229811,10214,9799,DTXSID40894869
WJ001042,O-propanoyl-L-carnitine,C10H19NO4,"InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1",UFAHZIUFPNSHSL-MRVPVSSYSA-N,CCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,CHEBI:53210,,HMDB62514;HMDB0062514,LMFA07070005,Q27104808,188824,164090,DTXSID40173883
WJ001043,pyridoxine 5'-phosphate,C8H12NO6P,"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)",WHOMFKWHIQZTHY-UHFFFAOYSA-N,CC1=C(O)C(CO)=C(COP(O)(O)=O)C=N1,CHEBI:28803;CHEBI:45202,C00627,HMDB01319;HMDB0001319,,Q27093255,1055,1026,DTXSID80196278
WJ001044,2-phenylethylamine,C8H11N,"InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2",BHHGXPLMPWCGHP-UHFFFAOYSA-N,NCCC1=CC=CC=C1,CHEBI:18397,C05332,HMDB0012275;HMDB12275;HMDB0060276;HMDB60276,,Q407411,1001,13856352,DTXSID5058773
WJ001045,phosphoenolpyruvic acid,C3H5O6P,"InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)",DTBNBXWJWCWCIK-UHFFFAOYSA-N,OC(=O)C(=C)OP(O)(O)=O,CHEBI:44897,C00074,HMDB00263;HMDB0000263,,Q412139,1005,980,DTXSID80861797
WJ001046,L-phenylalanine,C9H11NO2,"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",COLNVLDHVKWLRT-QMMMGPOBSA-N,N[C@@H](CC1=CC=CC=C1)C(O)=O,CHEBI:17295;CHEBI:8089;CHEBI:58095,C00079,HMDB0000159;HMDB00159,,Q170545,6140,5910,DTXSID4040763
WJ001047,ferroheme b,C34H32FeN4O4,"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-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;",KABFMIBPWCXCRK-RGGAHWMASA-L,CC1=C(CCC(O)=O)C2=CC3=[N+]4C(=CC5=C(C)C(C=C)=C6C=C7C(C)=C(C=C)C8=[N+]7[Fe--]4(N2C1=C8)N56)C(C)=C3CCC(O)=O,CHEBI:17627;CHEBI:26355,C00032,HMDB0003178;HMDB03178,,Q620084,444098,16739950,DTXSID90889386
WJ001048,keto-phenylpyruvic acid,C9H8O3,"InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)",BTNMPGBKDVTSJY-UHFFFAOYSA-N,OC(=O)C(=O)CC1=CC=CC=C1,CHEBI:30851;CHEBI:45005,C00166,HMDB0000205;HMDB00205,,Q425030,997,972,DTXSID1042281
WJ001049,phosphoric acid,H3PO4,"InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)",NBIIXXVUZAFLBC-UHFFFAOYSA-N,[H]OP(=O)(O[H])O[H],CHEBI:26078,C00009,HMDB02142;HMDB0000973;HMDB0002105;HMDB01429;HMDB02105;HMDB00973;HMDB0001429;HMDB0002142,,Q184782,1004,979,DTXSID5024263
WJ001050,(R)-pantothenic acid,C9H17NO5,"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)/t7-/m0/s1",GHOKWGTUZJEAQD-ZETCQYMHSA-N,CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O,CHEBI:46905,C00864,HMDB0000210;HMDB00210,,,6613,6361,DTXSID9023417
WJ001051,propionic acid,C3H6O2,"InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)",XBDQKXXYIPTUBI-UHFFFAOYSA-N,CCC(O)=O,CHEBI:30768,C00163,HMDB0000237;HMDB00237,LMFA01010003,Q422956,1032,1005,DTXSID8025961
WJ001052,propionyl-CoA,C24H40N7O17P3S,"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)/t13-,17-,18-,19+,23-/m1/s1",QAQREVBBADEHPA-IEXPHMLFSA-N,CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,,,,,,,,DTXSID10185594
WJ001053,diphosphoric acid,H4O7P2,"InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)",XPPKVPWEQAFLFU-UHFFFAOYSA-N,OP(O)(=O)OP(O)(O)=O,CHEBI:29888,C00013,HMDB00250;HMDB0000250,,Q411092,1023,996,DTXSID4075035
WJ001054,Bisdiphosphoinositol tetrakisphosphate,C6H20O30P8,"InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+/m1/s1",GXPFHIDIIMSLOF-YORTWTKJSA-N,OP(O)(=O)O[C@H]1[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)OP(O)(O)=O)[C@@H]1OP(O)(O)=O,CHEBI:52965,,HMDB06230;HMDB0006230,,Q27104800,25245165,26333173,
WJ001055,5-diphospho-1D-myo-inositol pentakisphosphate,C6H19O27P7,"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)/t1-,2+,3-,4-,5+,6+",UPHPWXPNZIOZJL-KXXVROSKSA-N,OP(O)(=O)O[C@@H]1[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@@H]1OP(O)(O)=O,CHEBI:30164,C11526,HMDB0006229;HMDB06229,,Q27104114,,17216357,
WJ001056,triphosphoric acid,H5O10P3,"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)",UNXRWKVEANCORM-UHFFFAOYSA-N,OP(O)(=O)OP(O)(=O)OP(O)(O)=O,CHEBI:39949,C00536;C02174,HMDB0003379;HMDB03379;HMDB0012282;HMDB12282,,Q2823316,983,958,DTXSID7047483
WJ001057,5-phospho-beta-D-ribosylamine,C5H12NO7P,"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)/t2-,3-,4-,5-/m1/s1",SKCBPEVYGOQGJN-TXICZTDVSA-N,N[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,CHEBI:37737,C03090,HMDB0001128;HMDB01128,,Q27104425,439905,388939,
WJ001058,L-proline,C5H9NO2,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1",ONIBWKKTOPOVIA-BYPYZUCNSA-N,OC(=O)[C@@H]1CCCN1,CHEBI:17203,C00148,HMDB00162;HMDB0000162,,Q20035886,145742,128566,DTXSID5044021
WJ001059,prostaglandin D2,C20H32O5,"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)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1",BHMBVRSPMRCCGG-OUTUXVNYSA-N,CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O,CHEBI:15555,C00696,HMDB0001403;HMDB01403,LMFA03010004,Q419750,448457,395250,DTXSID30897162
WJ001060,prostaglandin E2,C20H32O5,"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)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1",XEYBRNLFEZDVAW-ARSRFYASSA-N,CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,CHEBI:15551,C00584,HMDB01220;HMDB0001220,LMFA03010003,Q416554,5280360,4444059,DTXSID4022947
WJ001061,prostaglandin H2,C20H32O5,"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)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1",YIBNHAJFJUQSRA-YNNPMVKQSA-N,CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O,CHEBI:15554,C00427,HMDB01381;HMDB0001381,LMFA03010010,Q416567,445049,21237661;1008;392800,DTXSID80903949
WJ001062,acryloyl-CoA,C24H38N7O17P3S,"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)/t13-,17-,18-,19+,23-/m1/s1",POODSGUMUCVRTR-IEXPHMLFSA-N,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=C,CHEBI:15513,C00894,,LMFA07050282,Q27089495,9543026,7821999,
WJ001063,5-O-phosphono-alpha-D-ribofuranosyl diphosphate,C5H13O14P3,"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)/t2-,3-,4-,5-/m1/s1",PQGCEDQWHSBAJP-TXICZTDVSA-N,O[C@H]1[C@@H](O)[C@@H](OP(O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O,CHEBI:20625;CHEBI:2121;CHEBI:17111;CHEBI:45139,C00119,HMDB00280;HMDB0000280,,Q420633,7339,7062,DTXSID40895038
WJ001064,pseudouridine 5'-phosphate,C9H13N2O9P,"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",MOBMOJGXNHLLIR-GBNDHIKLSA-N,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)C1=CNC(=O)NC1=O,CHEBI:18116,C01168,HMDB01271;HMDB0001271,,Q27102833,439424,388535,
WJ001065,pseudouridine,C9H12N2O6,"InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1",PTJWIQPHWPFNBW-GBNDHIKLSA-N,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC(=O)NC1=O,CHEBI:17802,C02067,HMDB00767;HMDB0000767,,Q420445,15047,14319,
WJ001066,O-phospho-L-serine,C3H8NO6P,"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-/m0/s1",BZQFBWGGLXLEPQ-REOHCLBHSA-N,N[C@@H](COP(O)(O)=O)C(O)=O,CHEBI:15811;CHEBI:37712,C01005,HMDB00272;HMDB01721;HMDB0000272,,Q2701649,68841,62074,DTXSID1046348
WJ001067,presqualene diphosphate,C30H52O7P2,"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)/b25-17+,26-19+,27-21+/t28-,29-,30-/m0/s1",ATZKAUGGNMSCCY-VYCBRMPGSA-N,[H][C@]1(COP(O)(=O)OP(O)(O)=O)[C@]([H])(\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@]1(C)CC\C=C(/C)CCC=C(C)C,CHEBI:15442;CHEBI:8401,C03428,HMDB0001278;HMDB01278,,Q27088444,5280592,4444207,
WJ001068,putrescine,C4H12N2,InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2,KIDHWZJUCRJVML-UHFFFAOYSA-N,NCCCCN,CHEBI:17148,C02896;C00134,HMDB0001414;HMDB01414,,Q410190,1045,13837702,DTXSID4041107
WJ001069,pyridoxamine 5'-phosphate,C8H13N2O5P,"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)",ZMJGSOSNSPKHNH-UHFFFAOYSA-N,CC1=C(O)C(CN)=C(COP(O)(O)=O)C=N1,CHEBI:18335,C00647,HMDB0001555;HMDB01555,,Q27093205,1053,1024,DTXSID3046825
WJ001070,pyridoxamine,C8H12N2O2,"InChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3",NHZMQXZHNVQTQA-UHFFFAOYSA-N,CC1=C(O)C(CN)=C(CO)C=N1,CHEBI:16410,C00534,HMDB0001431;HMDB01431,,Q2541149,1052,1023,DTXSID6046929
WJ001071,pyridoxal,C8H9NO3,"InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3",RADKZDMFGJYCBB-UHFFFAOYSA-N,[H]C(=O)C1=C(CO)C=NC(C)=C1O,CHEBI:17310,C00250,HMDB0001545;HMDB01545,,Q3065731,1050,1021,DTXSID4046020
WJ001072,pyridoxal 5'-phosphate,C8H10NO6P,"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)",NGVDGCNFYWLIFO-UHFFFAOYSA-N,[H]C(=O)C1=C(COP(O)(O)=O)C=NC(C)=C1O,CHEBI:18405,C00018,HMDB01491;HMDB0001491,,Q418957,1051,1022,DTXSID4048351
WJ001073,pyridoxine,C8H11NO3,"InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3",LXNHXLLTXMVWPM-UHFFFAOYSA-N,CC1=C(O)C(CO)=C(CO)C=N1,CHEBI:16709,C00314,HMDB00239;HMDB0000239,,Q423746,1054,1025,DTXSID4023541
WJ001074,pyruvic acid,C3H4O3,"InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)",LCTONWCANYUPML-UHFFFAOYSA-N,CC(=O)C(O)=O,CHEBI:45253;CHEBI:32816,C00022,HMDB0000243;HMDB00243,LMFA01060077,Q213580,1060,1031,DTXSID2021650
WJ001075,ubiquinone-8,C49H74O4,"InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+",ICFIZJQGJAJRSU-SGHXUWJISA-N,COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O,CHEBI:61683,C17569,,LMPR02010005,Q27131283,5283546,4446659,
WJ001076,ubiquinol-8,C49H76O4,"InChI=1S/C49H76O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34,50-51H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+",LOJUQFSPYHMHEO-SGHXUWJISA-N,COC1=C(O)C(C)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(O)=C1OC,CHEBI:61682,C00390,HMDB01060;HMDB0001060,,Q27131282,22833558;25074411,24603698,
WJ001077,ubiquinone-9,C54H82O4,"InChI=1S/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+",UUGXJSBPSRROMU-WJNLUYJISA-N,COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O,CHEBI:18160,C01967,HMDB06707;HMDB0006707,LMPR02010004,Q27102857,5280473,4444118,
WJ001078,ubiquinol-9,C54H84O4,"InChI=1S/C54H84O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(7)32-19-33-46(8)34-20-35-47(9)36-21-37-48(10)38-39-50-49(11)51(55)53(57-12)54(58-13)52(50)56/h22,24,26,28,30,32,34,36,38,55-56H,14-21,23,25,27,29,31,33,35,37,39H2,1-13H3/b41-24+,42-26+,43-28+,44-30+,45-32+,46-34+,47-36+,48-38+",NPCOQXAVBJJZBQ-WJNLUYJISA-N,COC1=C(OC)C(O)=C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)C(C)=C1O,CHEBI:84424,,,,Q27157748,45281170,24603697,
WJ001079,quinolinic acid,C7H5NO4,"InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)",GJAWHXHKYYXBSV-UHFFFAOYSA-N,OC(=O)C1=CC=CN=C1C(O)=O,CHEBI:44529;CHEBI:16675,C03722,HMDB0000232;HMDB00232,,Q411945,1066,1037,DTXSID8041327
WJ001080,alpha-D-ribose 1-phosphate,C5H11O8P,"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)/t2-,3-,4-,5-/m1/s1",YXJDFQJKERBOBM-TXICZTDVSA-N,OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O,CHEBI:16300;CHEBI:45429,C00620,HMDB0001489;HMDB01489,,Q18213356,439236,388373,
WJ001081,alpha-D-ribofuranose 5-phosphate,C5H11O8P,"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)/t2-,3-,4-,5+/m1/s1",KTVPXOYAKDPRHY-AIHAYLRMSA-N,O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O,CHEBI:18189,,,,Q27102887,440101,389102,
WJ001082,raffinose,C18H32O16,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,CHEBI:16634,C00492,HMDB03213,,Q410005,439242,388379,DTXSID8041111
WJ001083,all-trans-retinal,C20H28O,"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+",NCYCYZXNIZJOKI-OVSJKPMPSA-N,[H]C(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,CHEBI:45487;CHEBI:17898,,HMDB0001358;HMDB01358,LMPR01090002,Q28529715,6436079;638015,4940755,DTXSID5025998
WJ001084,9-cis-retinal,C20H28O,"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+",NCYCYZXNIZJOKI-MKOSUFFBSA-N,C/C(/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C\C=O,CHEBI:78273;CHEBI:45487,C16681,HMDB0006218;HMDB06218,LMPR01090017,Q27074046,6436079;6436082,4940758;4940755,DTXSID00891233
WJ001085,9-cis-retinol,C20H30O,"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+",FPIPGXGPPPQFEQ-MKOSUFFBSA-N,C\C(=C/CO)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C,CHEBI:78272;CHEBI:45479,C16682;C19962,HMDB0006217;HMDB06217,LMPR01090009,Q27147725,9904001;9947823,8079655;8123435,
WJ001086,all-trans-retinol,C20H30O,"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+",FPIPGXGPPPQFEQ-OVSJKPMPSA-N,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,CHEBI:45479;CHEBI:17336,C17276;C19962,HMDB00305;HMDB0000305,LMPR01090001,Q424976,9904001;445354,8079655;393012,DTXSID3023556
WJ001087,11-cis-retinol,C20H30O,"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+",FPIPGXGPPPQFEQ-IOUUIBBYSA-N,C\C(=C/CO)\C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,CHEBI:45479;CHEBI:16302,C19962,HMDB06216;HMDB0006216,LMPR01090005,Q27070756,9904001;5280382,8079655;4444073,
WJ001088,retinoic acid,C20H28O2,"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)",SHGAZHPCJJPHSC-UHFFFAOYSA-N,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O,CHEBI:26536,,,,Q27109903,5538,5337,
WJ001089,1-O-all-trans-retinoyl-beta-glucuronic acid,C26H36O8,"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)/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1",MTGFYEHKPMOVNE-NEFMKCFNSA-N,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O,CHEBI:28870,C11061,HMDB0003141;HMDB03141,,Q27103934,5281877,4445170,DTXSID40274187
WJ001090,all-trans-retinyl palmitate,C36H60O2,"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+",VYGQUTWHTHXGQB-FFHKNEKCSA-N,CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C,CHEBI:17616,C02588,HMDB0003648;HMDB03648,LMPR01090013,Q7316807,5280531,10618934;4444162,DTXSID1021241
WJ001091,11-cis-retinyl palmitate,C36H60O2,"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+",VYGQUTWHTHXGQB-SXFSSFKVSA-N,CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C,CHEBI:19121;CHEBI:729;CHEBI:16254,C03455,HMDB0060338;HMDB60338,LMPR01090052,Q27101816,5459829,4573590,
WJ001092,riboflavin,C17H20N4O6,"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",AUNGANRZJHBGPY-SCRDCRAPSA-N,CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1,CHEBI:17015;CHEBI:45214;CHEBI:529204,C00255,HMDB0000244;HMDB00244,,Q130365,493570,431981,DTXSID8021777
WJ001093,N-ribosylnicotinamide,C11H15N2O5,"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",JLEBZPBDRKPWTD-TURQNECASA-O,NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,CHEBI:15927;CHEBI:7337;CHEBI:47589,C03150,HMDB00855;HMDB0000855,,Q3334152,439924,388956,DTXSID501010039
WJ001094,Rhodoquinone-9,C53H81NO3,"InChI=1S/C53H81NO3/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)51(55)50(54)53(57-12)52(49)56/h21,23,25,27,29,31,33,35,37H,13-20,22,24,26,28,30,32,34,36,38,54H2,1-12H3/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+",GCQAFBRARRTBAO-NSCWJZNLSA-N,COC1=C(N)C(=O)C(C)=C(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C1=O,CHEBI:140751,,,,,,,
WJ001095,Rhodoquinonol-9,C53H83NO3,"InChI=1S/C53H83NO3/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)51(55)50(54)53(57-12)52(49)56/h21,23,25,27,29,31,33,35,37,55-56H,13-20,22,24,26,28,30,32,34,36,38,54H2,1-12H3/b40-23+,41-25+,42-27+,43-29+,44-31+,45-33+,46-35+,47-37+",QUZSYLCMPALEDQ-NSCWJZNLSA-N,COC1=C(O)C(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)=C(C)C(O)=C1N,CHEBI:140752,,,,,,,
WJ001096,D-ribulose 5-phosphate,C5H11O8P,"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)/t4-,5+/m1/s1",FNZLKVNUWIIPSJ-UHNVWZDZSA-N,OCC(=O)[C@H](O)[C@H](O)COP(O)(O)=O,CHEBI:17363,C00199,HMDB00618;HMDB0000618,,Q35671055,439184,388327,
WJ001097,sulfur atom,S,InChI=1S/S,NINIDFKCEFEMDL-UHFFFAOYSA-N,[S],,,,,,,,DTXSID9034941
WJ001098,"sedoheptulose 1,7-bisphosphate",C7H16O13P2,"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)/t3-,5-,6-,7-/m1/s1",OKHXOUGRECCASI-SHUUEZRQSA-N,O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)COP(O)(O)=O,CHEBI:17969,C00447,HMDB0060274;HMDB60274,,Q27102740,164735,144412,
WJ001099,(S)-3-hydroxybutyric acid,C4H8O3,"InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1",WHBMMWSBFZVSSR-VKHMYHEASA-N,C[C@H](O)CC(O)=O,CHEBI:17290,C03197,HMDB0000442;HMDB00758;HMDB00442,LMFA01050463,Q27075158,94318,85121,DTXSID80904613
WJ001100,sedoheptulose 7-phosphate,C7H15O10P,"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)/t4-,5-,6-,7+/m1/s1",JDTUMPKOJBQPKX-GBNDHIKLSA-N,OCC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O,CHEBI:15721;CHEBI:9083,C00281;C05382,HMDB01068,,Q3040325,165007,144663,
WJ001101,L-saccharopine,C11H20N2O6,"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)/t7-,8-/m0/s1",ZDGJAHTZVHVLOT-YUMQZZPRSA-N,N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O,CHEBI:16927,C00449,HMDB0000279;HMDB00279,,Q3132238,160556,141086,
WJ001102,sarcosine,C3H7NO2,"InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)",FSYKKLYZXJSNPZ-UHFFFAOYSA-N,CNCC(O)=O,CHEBI:45531;CHEBI:57433;CHEBI:15611,C00213,HMDB00271;HMDB0000271,,Q414157,1088,1057,DTXSID1047025
WJ001103,D-glucitol,C6H14O6,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1",FBPFZTCFMRRESA-JGWLITMVSA-N,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,CHEBI:17924;CHEBI:15093;CHEBI:30911;CHEBI:9201;CHEBI:45559,C00794,HMDB0000247;HMDB00247,,Q245280,5780,5576,DTXSID5023588
WJ001104,L-adenosylselenomethionine,C15H23N6O5Se,"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",GGJFWMOVUFBSIN-AIRLBKTGSA-O,C[Se+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12,CHEBI:9066;CHEBI:62227,C05691,,,Q27108259,49787001,25058833,
WJ001105,sedoheptulose,C7H14O7,"InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6-,7-/m1/s1",HSNZZMHEPUFJNZ-SHUUEZRQSA-N,[H][C@@](O)(CO)[C@@]([H])(O)[C@@]([H])(O)[C@]([H])(O)C(=O)CO,CHEBI:16802,C08355,,,Q1091415,5459879,4573620,
WJ001106,selenic acid,H2O4Se,"InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)",QYHFIVBSNOWOCQ-UHFFFAOYSA-N,[H]O[Se](=O)(=O)O[H],CHEBI:18170;CHEBI:15075,C05697,HMDB0062761;HMDB62761,,Q413349,26473;1089,1058,DTXSID2064818
WJ001107,selenocysteine,C3H7NO2Se,"InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)",ZKZBPNGNEQAJSX-UHFFFAOYSA-N,NC(C[SeH])C(O)=O,,,,,,,,
WJ001108,L-selenocystathionine,C7H14N2O4Se,"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)/t4-,5-/m0/s1",ZNWYDQPOUQRDLY-WHFBIAKZSA-N,N[C@@H](CC[Se]C[C@H](N)C(O)=O)C(O)=O,CHEBI:62226;CHEBI:21384;CHEBI:6297;CHEBI:27760,C05699,HMDB0062527;HMDB62527,,Q27103310,441455,390187,
WJ001109,L-selenohomocysteine zwitterion,C4H9NO2Se,"InChI=1S/C4H9NO2Se/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1",RCWCGLALNCIQNM-VKHMYHEASA-N,N[C@@H](CC[SeH])C(O)=O,,,,,Q60998705,49787004,,DTXSID80678544
WJ001110,L-selenomethionine,C5H11NO2Se,"InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1",RJFAYQIBOAGBLC-BYPYZUCNSA-N,C[Se]CC[C@H](N)C(O)=O,CHEBI:30021,,,,Q27096144,,,DTXSID8046824
WJ001111,selenophosphoric acid,H3O3PSe,"InChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)",JRPHGDYSKGJTKZ-UHFFFAOYSA-N,OP(O)(O)=[Se],CHEBI:29269,C05172,HMDB03840;HMDB0003840;HMDB06407;HMDB0006407,,,1092,1061,
WJ001112,selenous acid,H2O3Se,"InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)",MCAHWIHFGHIESP-UHFFFAOYSA-N,O[Se](O)=O,CHEBI:26642,,HMDB11119;HMDB0011119,,Q413722,1091,1060,DTXSID9024300
WJ001113,L-serine,C3H7NO3,"InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1",MTCFGRXMJLQNBG-REOHCLBHSA-N,N[C@@H](CO)C(O)=O,CHEBI:9116;CHEBI:17115,C00065,HMDB0000187;HMDB00187,,Q183290,5951,5736,DTXSID60883230
WJ001114,S-formylglutathione,C11H17N3O7S,"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)/t6-,7-/m0/s1",FHXAGOICBFGEBF-BQBZGAKWSA-N,N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(O)=O)C(O)=O,CHEBI:8956;CHEBI:16225,C01031,HMDB01550;HMDB0001550,,Q27101805,189122,164320,DTXSID50964663
WJ001115,(S)-2-O-sulfolactic acid,C3H6O6S,"InChI=1S/C3H6O6S/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H,6,7,8)/t2-/m0/s1",CSRZVBCXQYEYKY-REOHCLBHSA-N,C[C@H](OS(O)(=O)=O)C(O)=O,CHEBI:17943,,,,Q27102733,5459941,4573661,
WJ001116,Se-methyl-L-selenocysteine,C4H9NO2Se,"InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1",XDSSPSLGNGIIHP-VKHMYHEASA-N,C[Se]C[C@H](N)C(O)=O,CHEBI:27812,C05689,HMDB0004113;HMDB04113,,Q21099600,147004,129633,
WJ001117,sulfurous acid,H2O3S,"InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)",LSNNMFCWUKXFEE-UHFFFAOYSA-N,OS(O)=O,CHEBI:48854,C00094,HMDB00240;HMDB01033;HMDB0034829;HMDB34829;HMDB0000240;HMDB0001033,,Q206778,1100,1069,DTXSID7042435
WJ001118,sulfuric acid,H2O4S,"InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)",QAOWNCQODCNURD-UHFFFAOYSA-N,[H]OS(=O)(=O)O[H],CHEBI:45693;CHEBI:26836,C00059,HMDB0001448;HMDB01448,,Q4118,1118,1086,DTXSID5029683
WJ001119,sphingosine-1-phosphocholine,C23H49N2O5P,"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/b18-17+/t22-,23+/m0/s1",JLVSPVFPBBFMBE-HXSWCURESA-N,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP([O-])(=O)OCC[N+](C)(C)C,CHEBI:17689,,,LMSP01060001,Q27088851,9847290,8023004,
WJ001120,sphinganine 1-phosphate,C18H40NO5P,"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)/t17-,18+/m0/s1",YHEDRJPUIRMZMP-ZWKOTPCHSA-N,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O,CHEBI:16893,C01120,HMDB01383;HMDB0001383,LMSP01050002,Q27077062,644260,559277,
WJ001121,sphinganine,C18H39NO2,"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/t17-,18+/m0/s1",OTKJDMGTUTTYMP-ZWKOTPCHSA-N,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO,CHEBI:16566,C00836,HMDB0000269;HMDB00269,LMSP01020001,Q27088847,91486,82609,
WJ001122,sphingosine,C18H37NO2,"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/b15-14+/t17-,18+/m0/s1",WWUZIQQURGPMPG-KRWOKUGFSA-N,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO,CHEBI:16393;CHEBI:45719,C00319,HMDB00252,LMSP01010001,Q46298,5280335,4444047,DTXSID90861763
WJ001123,sphingosine 1-phosphate,C18H38NO5P,"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)/b15-14+/t17-,18+/m0/s1",DUYSYHSSBDVJSM-KRWOKUGFSA-N,CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O,CHEBI:37550,C06124,HMDB0000277;HMDB00277,LMSP01050001,Q418267,5283560,4446673,DTXSID4037166
WJ001124,spermidine,C7H19N3,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",ATHGHQPFGPMSJY-UHFFFAOYSA-N,NCCCCNCCCN,CHEBI:15097;CHEBI:45647;CHEBI:16610,C00315,HMDB0001257;HMDB01257,,Q418834,1102,1071,DTXSID4036645
WJ001125,spermine,C10H26N4,"InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2",PFNFFQXMRSDOHW-UHFFFAOYSA-N,NCCCNCCCCNCCCN,CHEBI:15746;CHEBI:45583,C00750,HMDB0001256;HMDB01256,,Q424597,1103,1072,DTXSID9058781
WJ001126,squalene,C30H50,"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+",YYGNTYWPHWGJRM-AAJYLUCBSA-N,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C,CHEBI:15440,C00751,HMDB00256,LMPR0106010002,Q407560,638072,553635,DTXSID0026044
WJ001127,serotonin,C10H12N2O,"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",QZAYGJVTTNCVMB-UHFFFAOYSA-N,NCCC1=CNC2=C1C=C(O)C=C2,CHEBI:28790;CHEBI:49894,C00780,HMDB0000259;HMDB00259,,Q167934,5202,5013,DTXSID8075330
WJ001128,"(S)-2,3-epoxysqualene",C30H50O,"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",QYIMSPSDBYKPPY-RSKUXYSASA-N,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C,CHEBI:15441,C01054,HMDB0001188;HMDB59621;HMDB0059621;HMDB01188,LMPR0106010010,Q27453274,5459811;53477723,4573579,
WJ001129,sitosterol,C29H50O,"InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1",KZJWDPNRJALLNS-VJSFXXLFSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C,CHEBI:27693,C01753,HMDB0000852;HMDB00852,,,222284,192962,DTXSID5022481
WJ001130,stachyose,C24H42O21,"InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1",UQZIYBXSHAGNOE-XNSRJBNMSA-N,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,CHEBI:17164,C01613,HMDB03553;HMDB0003553,,Q283435,439531,388624,
WJ001131,stearidonic acid,C18H28O2,"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)/b4-3-,7-6-,10-9-,13-12-",JIWBIWFOSCKQMA-LTKCOYKYSA-N,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O,CHEBI:32389,C16300,HMDB0006547;HMDB06547,LMFA01030357,Q2739877,5312508,4471933,DTXSID20920493
WJ001132,stearidonyl coenzyme A,C39H62N7O17P3S,"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)/b6-5-,9-8-,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1",DDHCSALWDPRVCN-USWKVXSKSA-N,CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:63545,C16163,,LMFA07050123,Q27132681,56928001,26606359,
WJ001133,succinic acid,C4H6O4,"InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)",KDYFGRWQOYBRFD-UHFFFAOYSA-N,OC(=O)CCC(O)=O,CHEBI:37952;CHEBI:45639;CHEBI:15741,C00042,HMDB0000254;HMDB00254,LMFA01170043,Q213050,1110,1078,DTXSID6023602
WJ001134,succinyl-CoA,C25H40N7O19P3S,"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)/t13-,18-,19-,20+,24-/m1/s1",VNOYUJKHFWYWIR-ITIYDSSPSA-N,CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O,CHEBI:45541;CHEBI:15380,C00091,HMDB01022,LMFA07050370,Q419560,92133,83179,
WJ001135,sucrose,C12H22O11,"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",CZMRCDWAGMRECN-UGDNZRGBSA-N,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,CHEBI:17992,C00089,HMDB0000258;HMDB00258,,Q4027534,5988,5768,DTXSID2021288
WJ001136,succinic semialdehyde,C4H6O3,"InChI=1S/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)",UIUJIQZEACWQSV-UHFFFAOYSA-N,[H]C(=O)CCC(O)=O,CHEBI:16265;CHEBI:15126,C00232,HMDB0001259;HMDB01259,LMFA06000118,Q4602542,1112,1080,DTXSID00219231
WJ001137,4-coumaric acid,C9H8O3,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",NGSWKAQJJWESNS-UHFFFAOYSA-N,[H]C(=CC1=CC=C(O)C=C1)C(O)=O,,,HMDB0128076,,,,,DTXSID6064660
WJ001138,taurine,C2H7NO3S,"InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)",XOAAWQZATWQOTB-UHFFFAOYSA-N,NCCS(O)(=O)=O,CHEBI:507393;CHEBI:15891,C00245,HMDB00251;HMDB0000251,,Q207051,1123,1091,DTXSID3021304
WJ001139,taurocholic acid,C26H45NO7S,"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",WBWWGRHZICKQGZ-HZAMXZRMSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCS(O)(=O)=O,CHEBI:28865,C05122,HMDB0000036;HMDB00036,LMST05040001,Q2659931,6675,6423,DTXSID00883259
WJ001140,thiocyanic acid,CHNS,InChI=1S/CHNS/c2-1-3/h3H,ZMZDMBWJUHKJPS-UHFFFAOYSA-N,SC#N,CHEBI:29200,C01755,,,Q25792,781,760,DTXSID7047221
WJ001141,"5,6,7,8-tetrahydrobiopterin",C9H15N5O3,"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)",FNKQXYHWGSIFBK-UHFFFAOYSA-N,CC(O)C(O)C1CNC2=C(N1)C(=O)NC(N)=N2,CHEBI:15372,C00272,HMDB0000027;HMDB00027,,Q61014518,1125,1093,DTXSID80872469
WJ001142,Tetrahydrobiopterin-4a-carbinolamine,C9H13N5O3,"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)/t3-,4+,6-/m0/s1",ZHQJVZLJDXWFFX-RPDRRWSUSA-N,C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)C2=N1,,C00268,HMDB0002215;HMDB02215,,,133246,117564,
WJ001143,"3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al",C27H46O4,"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",USFJGINJGUIFSY-XZULNKEGSA-N,[H]C(=O)C(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C,CHEBI:11896;CHEBI:1696;CHEBI:16466,C01301,HMDB0003533;HMDB03533,LMST04030164,Q27101923,439479,388578,DTXSID30959294
WJ001144,"3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid",C27H46O5,"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)/t15-,16?,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1",CNWPIIOQKZNXBB-VCVMUKOKSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C(O)=O,CHEBI:18402,,HMDB03873;HMDB0000601;HMDB00601,LMST04030001,Q27103052,122312,109066,DTXSID80862168
WJ001145,"(6S)-5,6,7,8-tetrahydrofolic acid",C19H23N7O6,"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)/t11-,12-/m0/s1",MSTNYGQPCMXVAQ-RYUDHWBXSA-N,NC1=NC2=C(N[C@@H](CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1,CHEBI:15635,C00101,,,Q27098158,5460413,,
WJ001146,thiamine(1+),C12H17N4OS,"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",JZRWCGZRTZMZEH-UHFFFAOYSA-N,CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N,CHEBI:18385,C00378,HMDB0000235;HMDB00235,,Q83187,1130,1098,DTXSID50220251
WJ001147,thiamine(1+) diphosphate(1-),C12H18N4O7P2S,"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)",AYEKOFBPNLCAJY-UHFFFAOYSA-N,CC1=C(CCOP(O)(=O)OP(O)([O-])=O)SC=[N+]1CC1=C(N)N=C(C)N=C1,CHEBI:45931,,HMDB62636;HMDB0062636,,Q27093081,5431,5238,
WJ001148,1-piperideine-6-carboxylic acid,C6H9NO2,"InChI=1S/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)",CSDPVAKVEWETFG-UHFFFAOYSA-N,OC(=O)C1CCCC=N1,CHEBI:49015;CHEBI:16987,,HMDB12130;HMDB0012130;HMDB01084;HMDB0062589;HMDB62589,,Q27104644,165067;5460090,144715,DTXSID50952722
WJ001149,L-threonine,C4H9NO3,"InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1",AYFVYJQAPQTCCC-GBXIJSLDSA-N,C[C@@H](O)[C@H](N)C(O)=O,CHEBI:16857;CHEBI:57926;CHEBI:45843,C00188,HMDB0000167;HMDB00167,,Q186521,6288,6051,DTXSID2046412
WJ001150,thymine,C5H6N2O2,"InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)",RWQNBRDOKXIBIV-UHFFFAOYSA-N,CC1=CNC(=O)NC1=O,CHEBI:17821;CHEBI:46017,C00178,HMDB00262;HMDB0000262,,Q171973,1135,1103,DTXSID4052342
WJ001151,thymidine,C10H14N2O5,"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",IQFYYKKMVGJFEH-XLPZGREQSA-N,CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O,CHEBI:17748;CHEBI:45834,C00214,HMDB00273;HMDB0000273,,Q422464,5789,5585,DTXSID5023661
WJ001152,trimethylamine,C3H9N,InChI=1S/C3H9N/c1-4(2)3/h1-3H3,GETQZCLCWQTVFV-UHFFFAOYSA-N,CN(C)C,CHEBI:18139,C00565,HMDB00906;HMDB0000906,,Q423953,1146,1114,DTXSID2026238
WJ001153,trimethylamine N-oxide,C3H9NO,"InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3",UYPYRKYUKCHHIB-UHFFFAOYSA-N,C[N+](C)(C)[O-],CHEBI:15724,C01104,HMDB00925;HMDB0000925,,Q419802,1145,1113,DTXSID8049678
WJ001154,"N(6),N(6),N(6)-trimethyl-L-lysine",C9H21N2O2,"InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1",MXNRLFUSFKVQSK-QMMMGPOBSA-O,C[N+](C)(C)CCCC[C@H](N)C(O)=O,CHEBI:17311,,HMDB01325,,Q28529719,440121,,
WJ001155,Timnodonic acid,C20H30O2,"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)/b4-3-,7-6-,10-9-,13-12-,16-15-",JAZBEHYOTPTENJ-JLNKQSITSA-N,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O,CHEBI:28364,C06428,HMDB01999;HMDB0001999,LMFA01030759,Q409990,446284,393682,DTXSID9041023
WJ001156,timnodonyl CoA,C41H64N7O17P3S,"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)/b6-5-,9-8-,12-11-,15-14-,18-17-/t30-,34?,35+,36+,40-/m1/s1",JWZLRYCDDXHXDL-BCYDWBPESA-N,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCN=C(CCN=C([C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@@H](C([C@H](n2cnc3c(N)ncnc23)O1)O)OP(=O)(O)O)O)O)O,,,HMDB0006514;HMDB06514,,,52922050,,
WJ001157,"alpha,alpha-trehalose",C12H22O11,"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",HDTRYLNUVZCQOY-LIZSDCNHSA-N,OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,CHEBI:16551,C01083,HMDB0000975;HMDB00975,,Q421773,7427,7149,DTXSID3048102
WJ001158,"alpha,alpha-trehalose 6-phosphate",C12H23O14P,"InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)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",LABSPYBHMPDTEL-LIZSDCNHSA-N,OC[C@H]1O[C@H](O[C@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,CHEBI:18283,C00689,HMDB0001124;HMDB01124,,Q27102967,122336,109086,
WJ001159,L-tryptophan,C11H12N2O2,"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",QIVBCDIJIAJPQS-VIFPVBQESA-N,N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O,CHEBI:16828;CHEBI:21407;CHEBI:57912,C00078,HMDB0000929;HMDB00929,,Q181003,6305,6066,DTXSID5021419
WJ001160,tryptamine,C10H12N2,"InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2",APJYDQYYACXCRM-UHFFFAOYSA-N,NCCC1=CNC2=CC=CC=C12,CHEBI:16765,C00398,HMDB0000303;HMDB00303,,Q409439,1150,1118,DTXSID2075340
WJ001161,testosterone,C19H28O2,"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",MUMGGOZAMZWBJJ-DYKIIFRCSA-N,[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C,CHEBI:42534;CHEBI:17347;CHEBI:45798,,HMDB0000234;HMDB00234,LMST02020002,Q1318776,6013;10204,9789;5791,DTXSID8022371
WJ001162,sulfurothioic S-acid,H2O3S2,"InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)",DHCDFWKWKRSZHF-UHFFFAOYSA-N,[H]OS(=O)(=O)S[H],CHEBI:29279;CHEBI:5587,C05529,HMDB60293;HMDB0000257;HMDB0060293;HMDB00257,,Q420074,1085;24478,22886,DTXSID00159981
WJ001163,"2-cis,6-trans,10-trans-geranylgeranyl diphosphate",C20H36O7P2,"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)/b18-11+,19-13+,20-15-",OINNEUNVOZHBOX-KWBDAJKESA-N,CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/COP(O)(=O)OP(O)(O)=O,CHEBI:10698,C11356,HMDB0060108;HMDB60108,LMPR0104010003,Q27108671,5281909,4445193,
WJ001164,tyramine,C8H11NO,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",DZGWFCGJZKJUFP-UHFFFAOYSA-N,NCCC1=CC=C(O)C=C1,CHEBI:15760,C00483,HMDB00306;HMDB0000306,,Q165930,5610,5408,DTXSID2043874
WJ001165,L-tyrosine,C9H11NO3,"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",OUYCCCASQSFEME-QMMMGPOBSA-N,N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,CHEBI:17895;CHEBI:46161,C00082,HMDB0000158;HMDB00158,,Q188017,6057,5833,DTXSID1023730
WJ001166,UDP-N-acetyl-alpha-D-glucosamine,C17H27N3O17P2,"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)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1",LFTYTUAZOPRMMI-CFRASDGPSA-N,CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,CHEBI:9823;CHEBI:16264,C00043,HMDB00290;HMDB0000290,,Q312208,445675,393240,
WJ001167,UDP,C9H14N2O12P2,"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)/t4-,6-,7-,8-/m1/s1",XCCTYIAWTASOJW-XVFCMESISA-N,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,CHEBI:17659,C00015,HMDB00295;HMDB0000295,,Q412593,6031,5809,
WJ001168,UDP-4-dehydro-6-deoxy-alpha-D-glucose,C15H22N2O16P2,"InChI=1S/C15H22N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6-,9-,10+,11-,12-,13-,14-/m1/s1",DDWGQQADOIMFOI-JPHISPRKSA-N,C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)C1=O,CHEBI:85804,C04089,,,Q27158733,23724475,30791409,
WJ001169,UDP-N-acetyl-D-galactosamine,C17H27N3O17P2,"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)/t7-,8-,10-,11+,12-,13-,14-,15-,16?/m1/s1",LFTYTUAZOPRMMI-LDDHHVEYSA-N,CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,CHEBI:16650;CHEBI:9820,,,,Q27102012,6419712,4925346,
WJ001170,UDP-D-glucose,C15H24N2O17P2,"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)/t5-,6-,8-,9-,10+,11-,12-,13-,14?/m1/s1",HSCJRCZFDFQWRP-RDKQLNKOSA-N,OC[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O,CHEBI:18066,,,,Q27102800,439156,388302,
WJ001171,UDP-D-galactose,C15H24N2O17P2,"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)/t5-,6-,8+,9-,10+,11-,12-,13-,14?/m1/s1",HSCJRCZFDFQWRP-LNYDKVEPSA-N,OC[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)[C@H](O)[C@@H](O)[C@H]1O,CHEBI:18307,,HMDB00302,,Q27102985,6857410,5256749,
WJ001172,UDP-alpha-D-glucuronic acid,C15H22N2O18P2,"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)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1",HDYANYHVCAPMJV-LXQIFKJMSA-N,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,CHEBI:17200;CHEBI:9846,C00167,HMDB00935;HMDB0000935,,Q277638,17473,16522,DTXSID00903961
WJ001173,UDP-alpha-D-xylose,C14H22N2O16P2,"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)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1",DQQDLYVHOTZLOR-OCIMBMBZSA-N,O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O,CHEBI:16082,C00190,HMDB01018,,Q27089069,19235,18152,
WJ001174,uridine 5'-monophosphate,C9H13N2O9P,"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)/t4-,6-,7-,8-/m1/s1",DJJCXFVJDGTHFX-XVFCMESISA-N,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O,CHEBI:46362;CHEBI:16695;CHEBI:46347,C00105,HMDB0000288;HMDB00288,,Q27074278,6030,5808,DTXSID20883211
WJ001175,uracil,C4H4N2O2,"InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",ISAKRJDGNUQOIC-UHFFFAOYSA-N,O=C1NC=CC(=O)N1,CHEBI:46375;CHEBI:17568,C00106,HMDB0000300;HMDB00300,,Q182990,1174,1141,DTXSID4021424
WJ001176,trans-urocanic acid,C6H6N2O2,"InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+",LOIYMIARKYCTBW-OWOJBTEDSA-N,OC(=O)\C=C\C1=CNC=N1,CHEBI:30817,C00785,HMDB0000301;HMDB00301,,,736715,643824,DTXSID5041148
WJ001177,urea,CH4N2O,"InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)",XSQUKJJJFZCRTK-UHFFFAOYSA-N,NC(N)=O,CHEBI:16199,C00086,HMDB00294;HMDB0000294,,Q48318,1176,1143,DTXSID4021426
WJ001178,uridine,C9H12N2O6,"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",DRTQHJPVMGBUCF-XVFCMESISA-N,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O,CHEBI:16704,C00299,HMDB00296;HMDB0000296,,Q422573,6029,5807,DTXSID40891555
WJ001179,UTP,C9H15N2O15P3,"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)/t4-,6-,7-,8-/m1/s1",PGAVKCOVUIYSFO-XVFCMESISA-N,O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O,CHEBI:15713,C00075,HMDB00285;HMDB0000285,,Q32904692,6133,5903,DTXSID0041147
WJ001180,vaccenic acid,C18H34O2,"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)",UWHZIFQPPBDJPM-UHFFFAOYSA-N,[H]C(CCCCCC)=C([H])CCCCCCCCCC(O)=O,CHEBI:36023,,,,Q27116670,122325,,
WJ001181,(11Z)-octadecenoyl-CoA,C39H68N7O17P3S,"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",HEJOXXLSCAQQGQ-SAIINBSPSA-N,CCCCCC\C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N,CHEBI:75354,,HMDB06521,LMFA07050003,Q27145240,71668356,29368530,
WJ001182,L-valine,C5H11NO2,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",KZSNJWFQEVHDMF-BYPYZUCNSA-N,CC(C)[C@H](N)C(O)=O,CHEBI:57762;CHEBI:46418;CHEBI:46282;CHEBI:16414,C00183,HMDB0000883;HMDB00883,,Q483752,6287,6050,DTXSID40883233
WJ001183,9H-xanthine,C5H4N4O2,"InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)",LRFVTYWOQMYALW-UHFFFAOYSA-N,O=C1NC2=C(N=CN2)C(=O)N1,CHEBI:17712,C00385,HMDB00292;HMDB0000292,,Q50980,1188,1151,DTXSID4035120
WJ001184,xanthurenic acid,C10H7NO4,"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)",FBZONXHGGPHHIY-UHFFFAOYSA-N,OC(=O)C1=NC2=C(O)C=CC=C2C(O)=C1,CHEBI:10072,C02470,HMDB0000881;HMDB00881,,Q5961262,5699,5497,DTXSID90207728
WJ001185,5'-xanthylic acid,C10H13N4O9P,"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)/t3-,5-,6-,9-/m1/s1",DCTLYFZHFGENCW-UUOKFMHZSA-N,O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1NC(=O)NC2=O,CHEBI:15652,C00655,HMDB0001554;HMDB01554,,Q50362394,73323,66054,DTXSID40948098
WJ001186,25-hydroxycholesterol,C27H46O2,"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",INBGSXNNRGWLJU-ZHHJOTBYSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O,CHEBI:42977;CHEBI:42972,C15519,HMDB06247,LMST01010018,Q27071875,65094,58604,DTXSID5044023
WJ001187,"7alpha,25-dihydroxy-4-cholesten-3-one",C27H44O3,"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-/m1/s1",POUKDTOWHPHYQU-HENOKILYSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O,CHEBI:81013,C17332,HMDB0060425;HMDB60425,LMST04030107,Q27154972,5284267,4447355,
WJ001188,26-hydroxycholesterol,C27H46O2,"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",FYHRJWMENCALJY-CCDZVGGQSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO,CHEBI:17703,C15610,,LMST01010057,Q27102543,99470,89866,
WJ001189,"7alpha,26-dihydroxycholest-4-en-3-one",C27H44O3,"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-/m1/s1",KVJVJJWIEXCECB-GWUAJDSISA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO,CHEBI:48825,C17336,HMDB12459,LMST04030157,Q27121368,193396,167824,DTXSID50963651
WJ001190,7alpha-hydroxycholesterol,C27H46O2,"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/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1",OYXZMSRRJOYLLO-RVOWOUOISA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,CHEBI:17500,,,LMST01010013,Q155744,107722,96891,DTXSID40903965
WJ001191,7alpha-hydroxycholest-4-en-3-one,C27H44O2,"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",IOIZWEJGGCZDOL-RQDYSCIWSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C,CHEBI:2292;CHEBI:58317;CHEBI:17899,C05455,HMDB0001993;HMDB01993,LMST04030123,Q4644247,123743,110306,DTXSID10191938
WJ001192,"7alpha,12alpha-dihydroxycholest-4-en-3-one",C27H44O3,"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",UQPYXHJTHPHOMM-NIBOIBLTSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C,CHEBI:28477;CHEBI:2289,C17339,,LMST04030114,Q27103727,3081958,2339455,DTXSID80925121
WJ001193,"7alpha,12alpha-dihydroxy-5beta-cholestan-3-one",C27H46O3,"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",HHVQPBXBALLUDF-QORHGLQKSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C,CHEBI:2288,C05453,HMDB06887,LMST04030113,Q27105610,5284271,4447359,DTXSID00415291
WJ001194,"5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol",C27H48O4,"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",XJZGNVBLVFOSKJ-XZULNKEGSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)CO,CHEBI:17278;CHEBI:12178,C05446,HMDB01231;HMDB0001231,LMST04030014,Q27102298,193321,167758,DTXSID60862444
WJ001195,"7alpha,25-dihydroxycholesterol",C27H46O3,"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",BQMSKLCEWBSPPY-IKVTXIKFSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O,CHEBI:37623,C15520,HMDB06280;HMDB0006280,,Q27074018,11954197,10128492,
WJ001196,"7alpha,26-dihydroxycholesterol",C27H46O3,"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",RXMHNAKZMGJANZ-DTTSCKGMSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)CO,CHEBI:18431,C06341,HMDB06281;HMDB0006281,LMST04030081,Q28487682,440985,389810,
WJ001197,"5beta-cholestane-3alpha,7alpha,12alpha-triol",C27H48O3,"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",RIVQQZVHIVNQFH-XJZYBRFWSA-N,[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C,CHEBI:16496,C05454,HMDB0001457;HMDB01457,LMST04030035,Q28529721,160520,141053,DTXSID70969998
WJ001198,xanthosine,C10H12N4O6,"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",UBORTCNDUKBEOP-UUOKFMHZSA-N,OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1NC(=O)NC2=O,CHEBI:18107,C01762,HMDB0000299;HMDB00299,,Q408788,64959,58484,
WJ001199,D-xylulose 5-phosphate,C5H11O8P,"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)/t4-,5-/m1/s1",FNZLKVNUWIIPSJ-RFZPGFLSSA-N,OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O,CHEBI:16332,C00231,HMDB00868;HMDB0000868,,Q27094888,439190,388330,
WJ001200,aldehydo-D-xylose,C5H10O5,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1",PYMYPHUHKUWMLA-VPENINKCSA-N,OC[C@@H](O)[C@H](O)[C@@H](O)C=O,CHEBI:15936;CHEBI:53455,C00181,HMDB0060254;HMDB60254,,Q27077130,135191;644160,559198;119104,
WJ001201,xylitol,C5H12O5,"InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+",HEBKCHPVOIAQTA-SCDXWVJYSA-N,OC[C@H](O)[C@@H](O)[C@H](O)CO,CHEBI:17151,C00379,HMDB02917,,Q212093,6912,6646,DTXSID7042514
WJ001202,D-xylulose,C5H10O5,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1",ZAQJHHRNXZUBTE-WUJLRWPWSA-N,OC[C@@H](O)[C@H](O)C(=O)CO,CHEBI:17140,C00310,HMDB0001644;HMDB01644,,Q28529722,5289590,4451524,DTXSID70415364
WJ001203,L-xylulose,C5H10O5,"InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m0/s1",ZAQJHHRNXZUBTE-WVZVXSGGSA-N,OC[C@H](O)[C@@H](O)C(=O)CO,CHEBI:17399,C00312,HMDB0000751;HMDB00751,,Q423204,22253,20892,