Metabolites
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Retinol, Agonist of Testicular receptor 4Cas#: 68-26-8 Compound CID: 445354Formula: C20H30O Molecular Weight: 286.45IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-olSMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)CInChIKey: FPIPGXGPPPQFEQ-OVSJKPMPSA-NInChI: 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+Synonyms: Chocola A | Vitamin A (Natural) | Vitamin A1, all-trans- | Vitpex | 2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-t...
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Tetrahydrobiopterin, Activator of L-Phenylalanine hydroxylaseCas#: 17528-72-2 Compound CID: 135402045Formula: C9H15N5O3 Molecular Weight: 241.25IUPAC Name: 2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-oneSMILES: CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)OInChIKey: FNKQXYHWGSIFBK-UHFFFAOYSA-NInChI: 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)Synonyms: tetrahydrobiopterin | HY-107383 | 1-(2-amino-4-hydroxy-5,6,7,8-tetrahydropteridin-6-yl)propane-1,2-diol | 5-26-18-004...
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Kynurenic acid, Agonist of GPR35Cas#: 492-27-3 Compound CID: 3845Formula: C10H7NO3 Molecular Weight: 189.17IUPAC Name: 4-oxo-1H-quinoline-2-carboxylic acidSMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)OInChIKey: HCZHHEIFKROPDY-UHFFFAOYSA-NInChI: 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)Synonyms: AMY18102 | BDBM81975 | Oprea1_032085 | Tox21_500716 | HCZHHEIFKROPDY-UHFFFAOYSA- | LP00716 | KYA | 4-Hydroxy-2-quinol...
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α-Methyl-DL-phenylalanine, Inhibitor of L-Phenylalanine hydroxylaseCas#: 1132-26-9 Compound CID: 108055Formula: C10H13NO2 Molecular Weight: 179.22IUPAC Name: 2-amino-2-methyl-3-phenylpropanoic acidSMILES: CC(CC1=CC=CC=C1)(C(=O)O)NInChIKey: HYOWVAAEQCNGLE-UHFFFAOYSA-NInChI: InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)Synonyms: alpha-Methyl-DL-phenylalanine|1132-26-9|2-amino-2-methyl-3-phenylpropanoic acid|2-Amino-2-methyl-3-phenylpropionic ac...
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Kynurenic acid, Agonist of GPR35Cas#: 492-27-3 Compound CID: 3845Formula: C10H7NO3 Molecular Weight: 189.17IUPAC Name: 4-oxo-1H-quinoline-2-carboxylic acidSMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)OInChIKey: HCZHHEIFKROPDY-UHFFFAOYSA-NInChI: 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)Synonyms: kynurenic acid|4-Hydroxyquinoline-2-carboxylic acid|492-27-3|13593-94-7|4-oxo-1,4-dihydroquinoline-2-carboxylic acid|...
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Retinol, Agonist of Testicular receptor 4Cas#: 68-26-8 Compound CID: 445354Formula: C20H30O Molecular Weight: 286.45IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-olSMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)CInChIKey: FPIPGXGPPPQFEQ-OVSJKPMPSA-NInChI: 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+Synonyms: retinol|Vitamin A|all-trans-Retinol|68-26-8|Vitamin A1|Alphalin|Chocola A|Alphasterol|Apostavit|Aquasynth|Axerophthol...
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2-oleoyl-LPA, Agonist of GPR35;Agonist of LPA 1 receptor;Agonist of LPA 2 receptor;Agonist of LPA 3 receptorIUPAC Name: {3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propoxy}phosphonic acidSMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(COP(=O)(O)O)COInChIKey: ZOOLJLSXNRZLDH-KTKRTIGZSA-NInChI: InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-
