1.0 2010-04-08 22:05:16 UTC 2019-11-26 02:57:08 UTC FDB002186 O-Oxalylhomoserine O-oxalylhomoserine is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). O-oxalylhomoserine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). O-oxalylhomoserine can be found in grass pea, which makes O-oxalylhomoserine a potential biomarker for the consumption of this food product. O-Oxalylhomoserine C6H9NO6 191.1388 191.042987025 2-amino-4-[(carboxycarbonyl)oxy]butanoic acid 2-amino-4-[(carboxycarbonyl)oxy]butanoic acid 4096-48-4 NC(CCOC(=O)C(O)=O)C(O)=O InChI=1S/C6H9NO6/c7-3(4(8)9)1-2-13-6(12)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11) VKKDEHWBBKSWQQ-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 Amino acids Carbonyl compounds Carboxylic acid esters Carboxylic acids Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Tricarboxylic acids and derivatives Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Carbonyl group Carboxylic acid Carboxylic acid ester Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Tricarboxylic acid or derivatives logp -3.29 ALOGPS logs -1.31 ALOGPS solubility 9.30e+00 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 1.44 ChemAxon pka_strongest_basic 9.46 ChemAxon iupac 2-amino-4-[(carboxycarbonyl)oxy]butanoic acid ChemAxon average_mass 191.1388 ChemAxon mono_mass 191.042987025 ChemAxon smiles NC(CCOC(=O)C(O)=O)C(O)=O ChemAxon formula C6H9NO6 ChemAxon inchi InChI=1S/C6H9NO6/c7-3(4(8)9)1-2-13-6(12)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11) ChemAxon inchikey VKKDEHWBBKSWQQ-UHFFFAOYSA-N ChemAxon polar_surface_area 126.92 ChemAxon refractivity 37.85 ChemAxon polarizability 16.36 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 77742 Specdb::MsMs 77743 Specdb::MsMs 77744 Specdb::MsMs 137934 Specdb::MsMs 137935 Specdb::MsMs 137936 Specdb::MsMs 3599062 Specdb::MsMs 3599063 Specdb::MsMs 3599064 Specdb::MsMs 3599065 Specdb::MsMs 3599066 Specdb::MsMs 3599067 Grass pea Type 1 specific Lathyrus sativus 3860