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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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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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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(S)-3-hydroxy-3-methylglutaryl-CoA, Inhibitor of hydroxymethylglutaryl-CoA synthase 1Cas#: 26926-09-0 Compound CID: 445127IUPAC Name: (3S)-5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-hydroxy-3-methyl-5-oxopentanoic acidSMILES: O=C(NCCSC(=O)C[C@](CC(=O)O)(O)C)CCNC(=O)[C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)OInChIKey: CABVTRNMFUVUDM-VRHQGPGLSA-NInChI: 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/s1Synonyms: S-(Hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A | S-(Hydrogen 3-hydroxy-3-methylpentanedioate | SCHEMBL1198 | S-(Hy...
