1.0 2016-09-30 22:44:49 UTC 2020-05-21 16:28:31 UTC BMDB0001368 BMDB01368 3-Mercaptopyruvic acid 3-3-3-mercaptopyruvic acid, also known as 3-mercaptopyruvic acid or 3-3-mercaptopyruvic acid, belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. 3-3-3-mercaptopyruvic acid is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3-3-3-mercaptopyruvic acid exists in all living organisms, ranging from bacteria to humans. 3-3-3-mercaptopyruvic acid participates in a number of enzymatic reactions, within cattle. In particular, 3-3-3-mercaptopyruvic acid and cyanide can be converted into pyruvic acid and thiocyanate through its interaction with the enzyme 3-3-mercaptopyruvic acid sulfurtransferase. In addition, 3-3-3-mercaptopyruvic acid can be biosynthesized from 3-mercaptolactic acid; which is catalyzed by the enzyme L-lactate dehydrogenase. In cattle, 3-3-mercaptopyruvic acid is involved in the metabolic pathway called the cysteine metabolism pathway. 3-Mercapto-2-oxopropanoic acid 3-Mercaptopyruvate Mercaptopyruvate 3-Mercapto-2-oxopropanoate Mercaptopyruvic acid 3-Mercapto-pyruvate 3-Mercapto-pyruvic acid beta-3-Mercapto-2-oxo-propanoate beta-3-Mercapto-2-oxo-propanoic acid beta-Mercaptopyruvate beta-Mercaptopyruvic acid beta-Thiopyruvate beta-Thiopyruvic acid Thiopyruvate 3-Mercaptopyruvate monosodium salt C3H4O3S 120.127 119.988114684 2-oxo-3-sulfanylpropanoic acid β-mercaptopyruvic acid 2464-23-5 OC(=O)C(=O)CS InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6) OJOLFAIGOXZBCI-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. Organic compounds Organic acids and derivatives Keto acids and derivatives Alpha-keto acids and derivatives Alpha-keto acids and derivatives Alkylthiols Alpha-hydroxy ketones Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Alkylthiol Alpha-hydroxy ketone Alpha-keto acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Aliphatic acyclic compounds 2-oxo monocarboxylic acid thiol Solid logp 0.15 ALOGPS logs -1.12 ALOGPS logp 0.29 ChemAxon pka_strongest_acidic 2.91 ChemAxon pka_strongest_basic -9.9 ChemAxon iupac 2-oxo-3-sulfanylpropanoic acid ChemAxon average_mass 120.127 ChemAxon mono_mass 119.988114684 ChemAxon smiles OC(=O)C(=O)CS ChemAxon formula C3H4O3S ChemAxon inchi InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6) ChemAxon inchikey OJOLFAIGOXZBCI-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 25.82 ChemAxon polarizability 10.15 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Cysteine Metabolism SMP0087189 Specdb::CMs 12794 Specdb::CMs 38041 Specdb::CMs 134735 Specdb::CMs 142469 Specdb::NmrTwoD 1630 Specdb::NmrOneD 1689 Specdb::MsIr 1224 Specdb::MsIr 1225 Specdb::MsIr 1226 Specdb::MsMs 1534 Specdb::MsMs 1535 Specdb::MsMs 1536 Specdb::MsMs 294094 Specdb::MsMs 294095 Specdb::MsMs 294096 Specdb::MsMs 334732 Specdb::MsMs 334733 Specdb::MsMs 334734 Specdb::MsMs 2256853 Specdb::MsMs 2258900 Specdb::MsMs 2259694 Specdb::MsMs 2677374 Specdb::MsMs 2677375 Specdb::MsMs 2677376 Specdb::MsMs 3028763 Specdb::MsMs 3028764 Specdb::MsMs 3028765 C00957 FDB030434 96 98 16208 C00007464 36476 3-Mercaptopyruvic_acid 6195 3-MERCAPTO-PYRUVATE BMDBP00114 Thiosulfate sulfurtransferase P00586 TST Enzyme BMDBP00567 Aspartate aminotransferase, cytoplasmic P33097 GOT1 Enzyme