2.0 2012-05-31 13:51:51 -0600 2015-06-03 15:54:05 -0600 ECMDB01405 M2MDB000373 3-Sulfinylpyruvic acid 3-Sulfinylpyruvic acid is found in E.coli's cysteine amd methionine metobolic pathway. It is the deaminated form of Cysteine sulfinic acid (PMID: 3925121), which subsequently spontaneously reacts to form pyruvate while releasing sulfur dioxide. It is the byproduct of oxidoreductases (EC 1.4.1.-), and aspartate transaminase (EC 2.6.1.1). &beta;-sulfinylpyruvate &beta;-sulfinylpyruvic acid &beta;-sulphinylpyruvate &beta;-sulphinylpyruvic acid 3-Sulfinopyruvate 3-Sulfinopyruvic acid 3-Sulfinyl-pyruvate 3-Sulfinyl-pyruvic acid 3-Sulfinylpyruvate 3-Sulphinopyruvate 3-Sulphinopyruvic acid 3-Sulphinyl-pyruvate 3-Sulphinyl-pyruvic acid 3-Sulphinylpyruvate 3-Sulphinylpyruvic acid b-Sulfinylpyruvate b-Sulfinylpyruvic acid b-Sulphinylpyruvate b-Sulphinylpyruvic acid Beta-Sulfinylpyruvate Beta-Sulfinylpyruvic acid Beta-Sulphinylpyruvate Beta-Sulphinylpyruvic acid β-Sulfinylpyruvate β-Sulfinylpyruvic acid β-Sulphinylpyruvate β-Sulphinylpyruvic acid C3H3O5S 151.118 150.970118896 2-oxo-3-sulfinopropanoic acid 3-sulfinylpyruvate OC(=O)C(=O)CS([O-])=O InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)/p-1 JXYLQEMXCAAMOL-UHFFFAOYSA-M Solid Cytoplasm Periplasm logp -0.20 ALOGPS logs -1.19 ALOGPS solubility 9.89e+00 g/l ALOGPS logp -0.34 ChemAxon pka_strongest_acidic 1.71 ChemAxon pka_strongest_basic -9.9 ChemAxon iupac 2-oxo-3-sulfinopropanoic acid ChemAxon average_mass 151.118 ChemAxon mono_mass 150.970118896 ChemAxon smiles OC(=O)C(=O)CS([O-])=O ChemAxon formula C3H3O5S ChemAxon inchi InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)/p-1 ChemAxon inchikey JXYLQEMXCAAMOL-UHFFFAOYSA-M ChemAxon polar_surface_area 91.67 ChemAxon refractivity 26.89 ChemAxon polarizability 11.63 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Cysteine and methionine metabolism ec00270 Specdb::CMs 19499 Specdb::CMs 38369 Specdb::CMs 153480 Specdb::NmrOneD 95918 Specdb::NmrOneD 95919 Specdb::NmrOneD 95920 Specdb::NmrOneD 95921 Specdb::NmrOneD 95922 Specdb::NmrOneD 95923 Specdb::NmrOneD 95924 Specdb::NmrOneD 95925 Specdb::NmrOneD 95926 Specdb::NmrOneD 95927 Specdb::NmrOneD 95928 Specdb::NmrOneD 95929 Specdb::NmrOneD 95930 Specdb::NmrOneD 95931 Specdb::NmrOneD 95932 Specdb::NmrOneD 95933 Specdb::NmrOneD 95934 Specdb::NmrOneD 95935 Specdb::NmrOneD 95936 Specdb::NmrOneD 95937 Specdb::MsMs 309355 Specdb::MsMs 309356 Specdb::MsMs 309357 Specdb::MsMs 353770 Specdb::MsMs 353771 Specdb::MsMs 353772 Specdb::MsMs 2768342 Specdb::MsMs 2768343 Specdb::MsMs 2768344 Specdb::MsMs 2913485 Specdb::MsMs 2913486 Specdb::MsMs 2913487 HMDB01405 6398963 4911362 C05527 3-SULFINYL-PYRUVATE Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. 22080510 Kunert, J. (1985). "Metabolism of sulfur-containing amino acids in the dermatophyte Microsporum gypseum. II. Acidic amino acid derivatives." J Basic Microbiol 25:111-118. 3925121 Oparinde DP, Oghagbon EK, Okesina AB, Olatunji PO, Ojuawo AO: Role of hepatic enzymes in the biochemical assessment of the severity of sickle cell anemia. Trop Gastroenterol. 2006 Jul-Sep;27(3):118-21. 17310554 Aspartate aminotransferase P00509 AAT_ECOLI aspC http://ecmdb.ca/proteins/P00509.xml 3-Sulfinoalanine + alpha-Ketoglutarate <> 3-Sulfinylpyruvic acid + L-Glutamate R02619