Metabolites
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Nicotinic acidCas#: 59-67-6 Compound CID: 938Formula: C6H5NO2 Molecular Weight: 123.11IUPAC Name: pyridine-3-carboxylic acidSMILES: C1=CC(=CN=C1)C(=O)OInChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-NInChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)Synonyms: P.P. factor-pellagra preventive factor | niacin | vitamin B3 | 3-Picolinic acid | Kyselina nikotinova [Czech] | Niaci...
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D-erythro-sphingosine-1-phosphate, Agonist of GPR12;Agonist of GPR3;Agonist of GPR63;Agonist of GPR6;Agonist of P2RY10;Agonist of S1P 1 receptor;Agonist of S1P 2 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptorCas#: 26993-30-6 Compound CID: 5283560Formula: C18H38NO5P Molecular Weight: 379.472IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphateSMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)OInChIKey: DUYSYHSSBDVJSM-KRWOKUGFSA-NInChI: 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/s1Synonyms: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate | 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen p...
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Ethinyl Estradiol, Estrogen receptor alpha agonistCas#: 57-63-6 Compound CID: 5991Formula: C20H24O2 Molecular Weight: 296.4IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diolSMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OInChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-NInChI: InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1Synonyms: Ethinylestradiol (Standard) | Ethynyloestradiol | Estigyn | 17-Ethinylestradiol | CHEBI:4903 | Ethinyl Estradiol [USP...
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Adenosine 3′,5′-cyclic monophosphate, Activator of CNGA2;Activator of CNGA3;Activator of HCN1;Activator of HCN2;Activator of protein kinase ACas#: 60-92-4 Compound CID: 6076Formula: C10H12N5O6P Molecular Weight: 329.21IUPAC Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-olSMILES: C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)OInChIKey: IVOMOUWHDPKRLL-KQYNXXCUSA-NInChI: 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/s1Synonyms: cAMP | bmse000071 | cAMP | Cyclic Monophosphate, Adenosine | 3',5'-cyclic AMP | Adenosine 3',5'-cyclic phosphate | AD...
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DL-3-Hydroxybutyric Acid (contains Polymolecular esterification product), Agonist of HCA 2 receptorCas#: 300-85-6 Compound CID: 441Formula: C4H8O3 Molecular Weight: 104.11IUPAC Name: 3-hydroxybutanoic acidSMILES: CC(CC(=O)O)OInChIKey: WHBMMWSBFZVSSR-UHFFFAOYSA-NInChI: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)Synonyms: 3-hydroxybutyric acid|3-hydroxybutanoic acid|300-85-6|Butanoic acid, 3-hydroxy-|beta-Hydroxybutyric acid|625-71-8|3 H...
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Nicotinic acid, Agonist of HCA 1 receptor;Agonist of HCA 2 receptor;Agonist of HCA 3 receptorCas#: 59-67-6 Compound CID: 938Formula: C6H5NO2 Molecular Weight: 123.11IUPAC Name: pyridine-3-carboxylic acidSMILES: C1=CC(=CN=C1)C(=O)OInChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-NInChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)Synonyms: AI3-18994 | Akotin | Nicagin | Nicotinsaure | Nicovasen | NSC 169454 | SR-01000722017 | BRN 0109591 | Vitaplex N | m-...
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Nicotinic acidCas#: 59-67-6 Compound CID: 938Formula: C6H5NO2 Molecular Weight: 123.11IUPAC Name: pyridine-3-carboxylic acidSMILES: C1=CC(=CN=C1)C(=O)OInChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-NInChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)Synonyms: AI3-18994 | Akotin | Nicagin | Nicotinsaure | Nicovasen | NSC 169454 | SR-01000722017 | BRN 0109591 | Vitaplex N | m-...
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Nicotinic acidCas#: 59-67-6 Compound CID: 938Formula: C6H5NO2 Molecular Weight: 123.11IUPAC Name: pyridine-3-carboxylic acidSMILES: C1=CC(=CN=C1)C(=O)OInChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-NInChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)Synonyms: Vitamin B3 | Niacin | 3-Pyridinecarboxylic acid
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Nicotinic acidCas#: 59-67-6 Compound CID: 938Formula: C6H5NO2 Molecular Weight: 123.11IUPAC Name: pyridine-3-carboxylic acidSMILES: C1=CC(=CN=C1)C(=O)OInChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-NInChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)Synonyms: AI3-18994 | Akotin | Nicagin | Nicotinsaure | Nicovasen | NSC 169454 | SR-01000722017 | BRN 0109591 | Vitaplex N | m-...
