1.0 2016-09-30 22:52:36 UTC 2020-04-22 15:10:11 UTC BMDB0002205 BMDB02205 L-Homocysteic acid (2S)-2-Amino-4-sulfobutyric acid (S)-2-Amino-4-sulfobutanoic acid (S)-2-Amino-4-sulfobutyric acid Homocysteic acid L-2-Amino-4-sulfobutyric acid (2S)-2-Amino-4-sulfobutanoic acid (2S)-2-Amino-4-sulfobutyrate (2S)-2-Amino-4-sulphobutyrate (2S)-2-Amino-4-sulphobutyric acid (S)-2-Amino-4-sulfobutanoate (S)-2-Amino-4-sulphobutanoate (S)-2-Amino-4-sulphobutanoic acid (S)-2-Amino-4-sulfobutyrate (S)-2-Amino-4-sulphobutyrate (S)-2-Amino-4-sulphobutyric acid Homocysteate L-2-Amino-4-sulfobutyrate L-2-Amino-4-sulphobutyrate L-2-Amino-4-sulphobutyric acid (2S)-2-Amino-4-sulfobutanoate (2S)-2-Amino-4-sulphobutanoate (2S)-2-Amino-4-sulphobutanoic acid L-Homocysteate C4H9NO5S 183.183 183.020143093 (2S)-2-amino-4-sulfobutanoic acid L-homocysteic acid 14857-77-3 N[C@@H](CCS(O)(=O)=O)C(O)=O InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1 VBOQYPQEPHKASR-VKHMYHEASA-N belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues L-alpha-amino acids Alkanesulfonic acids Amino acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Organosulfonic acids Sulfonyls Thia fatty acids Aliphatic acyclic compound Alkanesulfonic acid Amine Amino acid Carbonyl group Carboxylic acid Fatty acid Fatty acyl Hydrocarbon derivative L-alpha-amino acid Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Primary aliphatic amine Primary amine Sulfonyl Thia fatty acid Aliphatic acyclic compounds non-proteinogenic alpha-amino acid Solid melting_point 261 °C logp -2.35 ALOGPS logs -0.45 ALOGPS logp -2.9 ChemAxon pka_strongest_acidic -1.3 ChemAxon pka_strongest_basic 9.51 ChemAxon iupac (2S)-2-amino-4-sulfobutanoic acid ChemAxon average_mass 183.183 ChemAxon mono_mass 183.020143093 ChemAxon smiles N[C@@H](CCS(O)(=O)=O)C(O)=O ChemAxon formula C4H9NO5S ChemAxon inchi InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1 ChemAxon inchikey VBOQYPQEPHKASR-VKHMYHEASA-N ChemAxon polar_surface_area 117.69 ChemAxon refractivity 35.3 ChemAxon polarizability 15.69 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 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::NmrTwoD 1802 Specdb::MsMs 2028 Specdb::MsMs 2029 Specdb::MsMs 2030 Specdb::MsMs 296710 Specdb::MsMs 296711 Specdb::MsMs 296712 Specdb::MsMs 338059 Specdb::MsMs 338060 Specdb::MsMs 338061 Specdb::MsMs 2801575 Specdb::MsMs 2801576 Specdb::MsMs 2801577 Specdb::MsMs 2877899 Specdb::MsMs 2877900 Specdb::MsMs 2877901 Specdb::CMs 13919 Specdb::CMs 38315 Specdb::CMs 162892 Specdb::MsIr 1681 Specdb::MsIr 1682 Specdb::MsIr 1683 Specdb::NmrOneD 1863 Specdb::NmrOneD 149200 Specdb::NmrOneD 149201 Specdb::NmrOneD 149202 Specdb::NmrOneD 149203 Specdb::NmrOneD 149204 Specdb::NmrOneD 149205 Specdb::NmrOneD 149206 Specdb::NmrOneD 149207 Specdb::NmrOneD 149208 Specdb::NmrOneD 149209 Specdb::NmrOneD 149210 Specdb::NmrOneD 149211 Specdb::NmrOneD 149212 Specdb::NmrOneD 149213 Specdb::NmrOneD 149214 Specdb::NmrOneD 149215 Specdb::NmrOneD 149216 Specdb::NmrOneD 149217 Specdb::NmrOneD 149218 Specdb::NmrOneD 149219 154529 FDB022905 C16511 177491 132223 Homocysteic_acid 6545 Jolles-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.