1.0 2010-04-08 22:06:40 UTC 2025-11-18 22:59:12 UTC FDB005418 Guanidino succinic acid Guanidino succinic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Guanidino succinic acid can be found in apple and loquat, which makes guanidino succinic acid a potential biomarker for the consumption of these food products. C5H7N3O4 173.129 173.044752877 2-carbamimidamidobutanedioate guanidinosuccinate NC(=N)NC(CC([O-])=O)C([O-])=O InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/p-2 VVHOUVWJCQOYGG-UHFFFAOYSA-L belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Aspartic acid and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Dicarboxylic acids and derivatives Fatty acids and conjugates Guanidines Hydrocarbon derivatives Organic anions Organic oxides Organopnictogen compounds Aliphatic acyclic compound Aspartic acid or derivatives Carbonyl group Carboximidamide Carboxylic acid Dicarboxylic acid or derivatives Fatty acid Guanidine Hydrocarbon derivative Organic anion Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound logp -1.24 ALOGPS logs -1.24 ALOGPS solubility 1.20e+01 g/l ALOGPS logp -3.3 ChemAxon pka_strongest_acidic 2.98 ChemAxon pka_strongest_basic 12.23 ChemAxon iupac 2-carbamimidamidobutanedioate ChemAxon average_mass 173.129 ChemAxon mono_mass 173.044752877 ChemAxon smiles NC(=N)NC(CC([O-])=O)C([O-])=O ChemAxon formula C5H7N3O4 ChemAxon inchi InChI=1S/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)/p-2 ChemAxon inchikey VVHOUVWJCQOYGG-UHFFFAOYSA-L ChemAxon polar_surface_area 142.16 ChemAxon refractivity 68.92 ChemAxon polarizability 14.26 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge -2 ChemAxon Specdb::MsMs 88755 Specdb::MsMs 88756 Specdb::MsMs 88757 Specdb::MsMs 151548 Specdb::MsMs 151549 Specdb::MsMs 151550 Apple Type 1 specific Malus pumila 283210 Loquat Type 1 specific Eriobotrya japonica 32224