Name_neutral	Formula_Neutral	InChI_neutral	InChIKey_neutral	SMILES_neutral	ChEBI_neutral	KEGG_neutral	MetaCyc_neutral	HMDB_neutral	LipidMaps_neutral	SwissLipids_neutral	Wikidata_neutral	Pubchem_neutral	Metabolights_neutral	Chemspider_neutral
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
(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
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
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										
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
(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
(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
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
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
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										
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
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
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-											
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
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
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
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
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
(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
(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
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
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										
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
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
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
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		
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
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
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
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
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
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
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
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
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
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
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
(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
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
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
(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
(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
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
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
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
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
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
(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
(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
(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
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
(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
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
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
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
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
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
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
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
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
(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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
(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
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
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
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
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
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
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
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
(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
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
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
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
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
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
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
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
(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
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										
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
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
(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
(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
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
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
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
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
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
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
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
(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
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
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
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
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
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
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
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									
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
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
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
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
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
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
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										
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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			
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
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
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
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		
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
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
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
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
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
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
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
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
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
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
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
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										
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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									
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
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
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
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
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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									
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
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
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									
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
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)	IJFOVOXYTMJNNT-OMZVDAQLSA	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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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-	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									
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
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-	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									
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
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
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/s	CCLLNHFPRJSACA-PXGZYQLKSA	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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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-	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									
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
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									
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
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									
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
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
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									
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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									
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									
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
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									
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									
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									
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									
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									
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
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									
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
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									
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									
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
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									
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
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-	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									
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
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-	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									
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
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/s	IITVBXVYXBIMDR-PYTUUMMTSA-	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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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	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									
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									
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									
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									
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
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									
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									
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-	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									
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									
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-	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									
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
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									
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
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									
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									
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
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									
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
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/s	ZEXWFLNGXVGPOQ-DVNLUXLOSA-	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									
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
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									
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
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									
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
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-	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									
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
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									
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
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									
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
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									
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
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									
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
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/s	KCXFBMBOIZUQTN-AIZSDTMFSA-	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									
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										
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									
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										
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
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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									
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
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
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
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
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
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
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
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
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
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
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
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
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
O-decanoyl-L-carnitine	C17H33NO4	InChI=1/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-/s2	InChIKey=LZOSYCMHQXPBFU-GGYSOQFKNA-N	CCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C										
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
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
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										
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
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										
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
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										
O-palmitoleyl-L-carnitine	C23H43NO4	InChI=1/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-/s2	InChIKey=JFAGPSOZZSTLRF-GYKXUYELNA-N	CCCCCC\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C										
O-stearoyl-L-carnitine	C25H49NO4	InChI=1/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-/s2	InChIKey=FNPHNLNTJNMAEE-QWVACARCNA-N	CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C										
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										
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		CHEBI:89742			HMDB13338			Q27161932	53481695		30776715
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
O-gamma-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/h9-10,12-13,15-16,23H,5-8,11,14,17-22H2,1-4H3/b10-9-,13-12-,16-15-/t23-/s2	InChIKey=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										
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										
O-Stearidonyl-L-carnitine	C25H41NO4	InChI=1/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-/s2	InChIKey=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										
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
O-dihomo-gamma-linolenyl-L-carnitine	C27H47NO4	InChI=1/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-/s2	InChIKey=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										
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										
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										
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										
O-timnodonyl-L-carnitine	C27H43NO4	InChI=1/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-/s2	InChIKey=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										
O-docosanoyl-L-carnitine	C29H57NO4	InChI=1/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-/s2	InChIKey=IUMXSSOVGPXXJL-XUESUEPENA-N	CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C										
O-tetracosanoyl-L-carnitine	C31H61NO4	InChI=1/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-/s2	InChIKey=YDUFZFUYBBPVLJ-KSTXGFNDNA-N	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C										
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										
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
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
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
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
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		
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
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
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
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
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
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
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
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
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
(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
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
(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
(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
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
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
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
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
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										
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
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
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
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
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
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
carbon monoxide	CO	InChI=1S/CO/c1-2	UGFAIRIUMAVXCW-UHFFFAOYSA-N	[C-]#[O+]	CHEBI:17245	C00237		HMDB01361;HMDB0001361			Q2025	281		275
carbon dioxide	CO2	InChI=1S/CO2/c2-1-3	CURLTUGMZLYLDI-UHFFFAOYSA-N	O=C=O	CHEBI:16526	C00011		HMDB01967;HMDB0001967			Q1997	280		274
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		
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
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										
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										
(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
(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										
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										
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
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
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										
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
(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										
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
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
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										
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
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										
(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
(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										
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
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
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										
(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
(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										
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										
(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										
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										
(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										
(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										
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
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
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										
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
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										
(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
(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										
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									
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
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										
(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
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		
(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		
(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										
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										
(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										
(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		
(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										
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
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										
(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										
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										
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										
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
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										
(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
(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										
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
(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
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										
(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		
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		
(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		
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
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										
(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										
(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		
(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
(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										
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										
(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										
(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										
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										
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
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										
(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
(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										
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
(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
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
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
(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										
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
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										
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
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		
(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		
(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
(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
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
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
(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										
(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
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
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
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										
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
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										
(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
(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										
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
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
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										
(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
(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
(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
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
(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
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										
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
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										
(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										
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
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
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										
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										
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
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										
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
(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										
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
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
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										
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										
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
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
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										
(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
(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
(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										
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
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
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										
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										
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		
(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										
(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										
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
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
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										
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										
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
(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										
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
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
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
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										
(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
(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										
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										
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
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
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										
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
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
(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
(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										
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										
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										
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
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										
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
(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
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
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
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
Hydrogen cyanide	CHN	InChI=1S/CHN/c1-2/h1H	LELOWRISYMNNSU-UHFFFAOYSA-N	C#N	CHEBI:18407	C01326		HMDB60292;HMDB0060292			Q26075	768		748;19951400
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									
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
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
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
(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
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
(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
(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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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		
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
(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
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
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
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		
(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
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
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
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
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
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
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
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
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										
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
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
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									
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
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
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
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
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
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
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
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
(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
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
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
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
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
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
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										
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
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
(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
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
ethanolamine	C2H7NO	InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2	HZAXFHJVJLSVMW-UHFFFAOYSA-N	NCCO	CHEBI:16000	C00189		HMDB0000149;HMDB00149			Q410387	700		13835336
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
ethanol	C2H6O	InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3	LFQSCWFLJHTTHZ-UHFFFAOYSA-N	CCO	CHEBI:16236	C00469		HMDB00108;HMDB0000108			Q153	702		682
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
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
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
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
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
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
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
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
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
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
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
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
(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
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											
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											
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	InChIKey=HZZZPXYJZMCKMS-BHDDXSALSA-N	[H][C@]1(CCCCCC)C[C@@]1([H])CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C										
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
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
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
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
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
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											
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											
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	InChIKey=JNTWSORSSDLYPI-HEYJASKDSA-N	[H]C1(CCCCCC)C[C@@]1([H])CCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C										
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
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
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
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
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
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
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
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
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
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
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
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
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
formaldehyde	CH2O	InChI=1S/CH2O/c1-2/h1H2	WSFSSNUMVMOOMR-UHFFFAOYSA-N	[H]C([H])=O	CHEBI:16842	C00067		HMDB0001426;HMDB01426			Q161210	712		692
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
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
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										
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
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
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
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		CHEBI:80654	C16674					Q27149701	20802017		30791776
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
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										
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
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
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
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
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
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
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
(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		
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
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
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
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
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
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
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
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
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
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
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										
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
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
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
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
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
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
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
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
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
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			C05695		HMDB10716;HMDB0010716				440760		389629
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		
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
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
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
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
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
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
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									
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
water	H2O	InChI=1S/H2O/h1H2	XLYOFNOQVPJJNP-UHFFFAOYSA-N	[H]O[H]	CHEBI:15377	C00001		HMDB02111;HMDB0002111			Q283	962		937
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
hydrogen sulfide	H2S	InChI=1S/H2S/h1H2	RWSOTUBLDIXVET-UHFFFAOYSA-N	[H]S[H]	CHEBI:16136	C00283		HMDB0003276;HMDB03276			Q170591	402		391
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
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
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			
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
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
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
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
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
(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
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
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
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
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
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
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
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
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
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										
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										
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										
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										
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									
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
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
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										
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										
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
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										
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
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										
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
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										
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
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
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
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
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
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-	O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O	CHEBI:17202									
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
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
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
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
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
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
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
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
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
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
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
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
(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
(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
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
(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
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		
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
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
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
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
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
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
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
(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
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
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
(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
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
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
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
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
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
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
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
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										
(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		
(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		
(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		
(Mannosyl)6-(N-acetylglucosaminyl)2-diphosphodolichol	C132H220N2O47P2	InChI=1S/C132H220N2O47P2/c1-75(2)35-20-36-76(3)37-21-38-77(4)39-22-40-78(5)41-23-42-79(6)43-24-44-80(7)45-25-46-81(8)47-26-48-82(9)49-27-50-83(10)51-28-52-84(11)53-29-54-85(12)55-30-56-86(13)57-31-58-87(14)59-32-60-88(15)61-33-62-89(16)63-34-64-90(17)65-66-165-182(160,161)181-183(162,163)180-126-102(134-92(19)143)110(151)119(99(73-141)172-126)174-125-101(133-91(18)142)109(150)120(98(72-140)171-125)175-130-118(159)122(108(149)100(173-130)74-164-127-117(158)121(107(148)97(71-139)166-127)176-128-115(156)111(152)103(144)93(67-135)167-128)177-131-124(114(155)106(147)95(69-137)169-131)179-132-123(113(154)105(146)96(70-138)170-132)178-129-116(157)112(153)104(145)94(68-136)168-129/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,90,93-132,135-141,144-159H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-74H2,1-19H3,(H,133,142)(H,134,143)(H,160,161)(H,162,163)/b76-37+,77-39+,78-41+,79-43+,80-45+,81-47+,82-49+,83-51+,84-53+,85-55+,86-57+,87-59+,88-61+,89-63+/t90?,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+,127+,128-,129-,130+,131-,132-/m1/s1	IOYSGTVJJKIUCN-MGGUUVKLSA-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@]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				HMDB12122;HMDB0012122				53481374		
(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		
(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		
(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		
(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
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										
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
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			
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
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
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
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
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										
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
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
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
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
methanol	CH4O	InChI=1S/CH4O/c1-2/h2H,1H3	OKKJLVBELUTLKV-UHFFFAOYSA-N	CO	CHEBI:17790	C00132		HMDB0001875;HMDB01875			Q14982	887		864
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
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					HMDB06512;HMDB0006512				193536		167948
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
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
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										
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
(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										
Methylselenol	CH4Se	InChI=1S/CH4Se/c1-2/h2H,1H3	APKHDKJWSHYLEU-UHFFFAOYSA-N	C[SeH]	CHEBI:64685	C05703		HMDB60488;HMDB0060488				440764		
(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
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
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
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
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
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
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
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
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
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
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
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
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
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
(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
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
(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
(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
(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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
ammonia	NH3	InChI=1S/H3N/h1H3	QGZKDVFQNNGYKY-UHFFFAOYSA-N	[H]N([H])[H]	CHEBI:16134	C00014		HMDB00051;HMDB0000051			Q4087	222		217
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
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
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
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
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
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
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
(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
dioxygen	O2	InChI=1S/O2/c1-2	MYMOFIZGZYHOMD-UHFFFAOYSA-N	O=O	CHEBI:15379	C00007		HMDB0001377;HMDB01377			Q5203615	977		952
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
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
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
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
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
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									
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									
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									
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
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
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									
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
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									
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									
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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
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									
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									
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
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									
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
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		
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
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
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
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
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
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
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
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
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
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
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
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
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
(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
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
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										
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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									
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									
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
sulfur atom	S	InChI=1S/S	NINIDFKCEFEMDL-UHFFFAOYSA-N	[S]										
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
(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
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
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
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
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
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
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
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
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										
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
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		
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			
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
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
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
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
(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
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
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
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
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
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
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
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
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
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
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
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
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
(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
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
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
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
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
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
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
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
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
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						
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
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
thiocyanic acid	CHNS	InChI=1S/CHNS/c2-1-3/h3H	ZMZDMBWJUHKJPS-UHFFFAOYSA-N	SC#N	CHEBI:29200	C01755					Q25792	781		760
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
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
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
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
(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		
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
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
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
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
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
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
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
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
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		
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
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					HMDB0006514;HMDB06514				52922050		
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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		
(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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
