1.0 2016-09-30 23:22:10 UTC 2020-04-22 15:17:29 UTC BMDB0006462 BMDB06462 Homocysteinesulfinic acid Homocysteinesulfinate Homocysteinesulphinate Homocysteinesulphinic acid Homocysteine sulfinic acid Homocysteinesulfinic acid, (D)-isomer Homocysteinesulfinic acid, (L)-isomer 2-amino-4-Sulfino-butanoate 2-amino-4-Sulfino-butanoic acid 2-amino-4-Sulfino-butyric acid 2-amino-4-Sulfinobutyric acid 2-Amino-4-sulfinobutanoate 2-Amino-4-sulphinobutanoate 2-Amino-4-sulphinobutanoic acid Homocysteinesulfinic 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). Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids 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 Aliphatic acyclic compounds Solid logp -2.12 ALOGPS logs -0.75 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 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 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 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::CMs 26325 Specdb::CMs 39018 Specdb::CMs 167252 FDB023922 142032 161712 137439 olles-Bergeret, Bernadette. Synthesis and properties of L- and DL-homocysteine sulfinic and L-homocysteic acids. Bulletin de la Societe de Chimie Biologique (1966), 48(11), 1265-78.