1.0 2011-09-21 00:36:53 UTC 2015-07-21 06:57:56 UTC FDB023922 Homocysteinesulfinic acid Homocysteinesulfinic acid, is involved in many metabolic pathways including trans-sulfuration in cysteine synthesis, re-methylation in methionine synthesis, trans-methylation of DNA, proteins, and lipids, and biosynthesis of small hormonal and neuronal signaling molecules. [HMDB] 2-amino-4-sulfino-Butanoate 2-amino-4-sulfino-Butanoic acid 2-amino-4-sulfino-Butyric acid 2-Amino-4-sulfinobutyric acid C4H9NO4S 167.184 167.025228471 2-amino-4-sulfinobutanoic acid homocysteine sulfinic acid 31523-80-5 NC(CCS(O)=O)C(O)=O InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9) PDNJLMZEGXHSCU-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Alpha amino acids Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Alkanesulfinic acids Amino acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Organosulfur compounds Sulfinic acids Thia fatty acids Aliphatic acyclic compound Alkanesulfinic acid Alkanesulfinic acid or derivatives Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Fatty acid Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary aliphatic amine Primary amine Sulfinic acid Sulfinic acid derivative Thia fatty acid Solid logp -2.12 ALOGPS logs -0.75 ALOGPS solubility 3.00e+01 g/l ALOGPS logp -3 ChemAxon pka_strongest_acidic -0.27 ChemAxon pka_strongest_basic 9.54 ChemAxon iupac 2-amino-4-sulfinobutanoic acid ChemAxon average_mass 167.184 ChemAxon mono_mass 167.025228471 ChemAxon smiles NC(CCS(O)=O)C(O)=O ChemAxon formula C4H9NO4S ChemAxon inchi InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9) ChemAxon inchikey PDNJLMZEGXHSCU-UHFFFAOYSA-N ChemAxon polar_surface_area 100.62 ChemAxon refractivity 34.27 ChemAxon polarizability 14.93 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26325 Specdb::CMs 39018 Specdb::CMs 167252 Specdb::MsMs 324331 Specdb::MsMs 324332 Specdb::MsMs 324333 Specdb::MsMs 372712 Specdb::MsMs 372713 Specdb::MsMs 372714 Specdb::MsMs 2764500 Specdb::MsMs 2764501 Specdb::MsMs 2764502 Specdb::MsMs 2941768 Specdb::MsMs 2941769 Specdb::MsMs 2941770 Specdb::NmrOneD 74452 Specdb::NmrOneD 74453 Specdb::NmrOneD 74454 Specdb::NmrOneD 74455 Specdb::NmrOneD 74456 Specdb::NmrOneD 74457 Specdb::NmrOneD 74458 Specdb::NmrOneD 74459 Specdb::NmrOneD 74460 Specdb::NmrOneD 74461 Specdb::NmrOneD 74462 Specdb::NmrOneD 74463 Specdb::NmrOneD 74464 Specdb::NmrOneD 74465 Specdb::NmrOneD 74466 Specdb::NmrOneD 74467 Specdb::NmrOneD 74468 Specdb::NmrOneD 74469 Specdb::NmrOneD 74470 Specdb::NmrOneD 74471 HMDB06462 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