1.0 2011-09-21 00:22:29 UTC 2015-07-21 06:57:27 UTC FDB022965 beta-Sulfinyl pyruvate b-Sulfinyl pyruvate is a putative product. It decomposes to puruvate and SO2 spontaneously. (PMID: 6822523) [HMDB] 3-Sulfinopyruvic acid 3-Sulfinylpyruvic acid 3-Sulphinopyruvate 3-Sulphinopyruvic acid 3-Sulphinylpyruvate 3-Sulphinylpyruvic acid b-Sulfinyl pyruvate b-Sulfinyl pyruvic acid beta-Sulfinyl pyruvate beta-Sulfinyl pyruvic acid beta-sulfinyl- pyruvate C3H4O5S 152.126 151.977943928 2-oxo-3-sulfinopropanoic acid 3-sulfinylpyruvate 88947-38-0 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) JXYLQEMXCAAMOL-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. Alpha-keto acids and derivatives Organic compounds Organic acids and derivatives Keto acids and derivatives Alpha-keto acids and derivatives Aliphatic acyclic compounds Alkanesulfinic acids Alpha-hydroxy ketones Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organosulfur compounds Sulfinic acids Aliphatic acyclic compound Alkanesulfinic acid Alkanesulfinic acid or derivatives 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 Sulfinic acid Sulfinic acid derivative 2-oxo monocarboxylic acid organosulfinic acid sulfur-containing carboxylic acid Solid 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 152.126 ChemAxon mono_mass 151.977943928 ChemAxon smiles OC(=O)C(=O)CS(O)=O ChemAxon formula C3H4O5S ChemAxon inchi InChI=1S/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8) ChemAxon inchikey JXYLQEMXCAAMOL-UHFFFAOYSA-N 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 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::CMs 19499 Specdb::CMs 38369 Specdb::CMs 153480 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 Specdb::MsIr 1248 Specdb::MsIr 1249 Specdb::MsIr 1250 HMDB02332 #<Reference:0x000055ce300316b0> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Aspartate aminotransferase, cytoplasmic P17174 GOT1 Aspartate aminotransferase, mitochondrial P00505 GOT2