1.0 2010-04-08 22:06:03 UTC 2019-11-26 02:59:44 UTC FDB004013 alpha-Amino-beta-hydroxybutyric acid Alpha-amino-beta-hydroxybutyric acid, also known as α-amino-β-hydroxybutyrate, 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). Alpha-amino-beta-hydroxybutyric acid is soluble (in water) and a moderately acidic compound (based on its pKa). Alpha-amino-beta-hydroxybutyric acid can be found in peanut, which makes alpha-amino-beta-hydroxybutyric acid a potential biomarker for the consumption of this food product. C4H9NO3 119.1192 119.058243159 2-amino-3-hydroxybutanoic acid threonine(L) CC(O)C(N)C(O)=O InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) AYFVYJQAPQTCCC-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Secondary alcohols Short-chain hydroxy acids and derivatives Alcohol Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Beta-hydroxy acid Carbonyl group Carboxylic acid Fatty acid Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary alcohol Short-chain hydroxy acid alpha-amino acid logp -3.01 ALOGPS logs 0.60 ALOGPS solubility 4.77e+02 g/l ALOGPS logp -3.5 ChemAxon pka_strongest_acidic 2.21 ChemAxon pka_strongest_basic 9 ChemAxon iupac 2-amino-3-hydroxybutanoic acid ChemAxon average_mass 119.1192 ChemAxon mono_mass 119.058243159 ChemAxon smiles CC(O)C(N)C(O)=O ChemAxon formula C4H9NO3 ChemAxon inchi InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8) ChemAxon inchikey AYFVYJQAPQTCCC-UHFFFAOYSA-N ChemAxon polar_surface_area 83.55 ChemAxon refractivity 26.46 ChemAxon polarizability 11.21 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 3294 Specdb::EiMs 1169 Specdb::CMs 1004 Specdb::CMs 1082 Specdb::CMs 84421 Specdb::CMs 120330 Specdb::CMs 868526 Specdb::CMs 868527 Specdb::CMs 868528 Specdb::CMs 868529 Specdb::CMs 868530 Specdb::CMs 868531 Specdb::CMs 868532 Specdb::CMs 868533 Specdb::CMs 868534 Specdb::CMs 868535 Specdb::CMs 868536 Specdb::CMs 868537 Specdb::CMs 868538 Specdb::CMs 868539 Specdb::MsMs 20999 Specdb::MsMs 21000 Specdb::MsMs 21001 Specdb::MsMs 22550 Specdb::MsMs 22551 Specdb::MsMs 22552 Specdb::MsMs 2236164 Specdb::MsMs 2236218 Specdb::MsMs 2237202 Specdb::MsMs 2238330 Specdb::MsMs 2239266 Specdb::MsMs 2240442 Specdb::MsMs 2240449 Specdb::MsMs 2241243 Specdb::MsMs 2241275 Specdb::MsMs 2242506 Specdb::MsMs 2242528 Specdb::MsMs 2243308 Specdb::MsMs 2243362 Specdb::MsMs 2244644 Specdb::MsMs 2245489 Specdb::MsMs 2252273 Specdb::MsMs 2254230 Specdb::MsMs 2256372 Specdb::MsMs 2258227 Peanut Type 1 specific Arachis hypogaea 3818