1.0 2016-09-30 22:30:11 UTC 2020-05-11 20:36:57 UTC BMDB0000407 BMDB00407 2-Hydroxy-3-methylbutyric acid (S)-(+)-2-Hydroxy-3-methylbutanoic acid (S)-(+)-2-Hydroxy-3-methylbutyric acid 2-Hydroxy-3-methyl-(S)-(+)-butyric acid 2-Hydroxyisovalerate 2-Oxyisovalerate a-Hydroxyisovaleric acid L-(+)-2-Hydroxyisovaleric acid L-(+)-alpha-Hydroxyisovaleric acid (S)-(+)-2-Hydroxy-3-methylbutanoate (S)-(+)-2-Hydroxy-3-methylbutyrate 2-Hydroxy-3-methyl-(S)-(+)-butyrate 2-Hydroxyisovaleric acid 2-Oxyisovaleric acid a-Hydroxyisovalerate L-(+)-2-Hydroxyisovalerate L-(+)-a-Hydroxyisovalerate L-(+)-a-Hydroxyisovaleric acid L-(+)-alpha-Hydroxyisovalerate L-(+)-Α-hydroxyisovalerate L-(+)-Α-hydroxyisovaleric acid 2-Hydroxy-3-methylbutyrate (S)-2-Hydroxy-3-methylbutyrate C5H10O3 118.132 118.062994182 (2S)-2-hydroxy-3-methylbutanoic acid α-hydroxyisovaleric acid [H][C@](O)(C(C)C)C(O)=O InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1 NGEWQZIDQIYUNV-BYPYZUCNSA-N belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Hydroxy fatty acids Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds (2S)-2-hydroxy monocarboxylic acid Hydroxy fatty acids Solid logp 0.10 ALOGPS logs 0.26 ALOGPS logp 0.42 ChemAxon pka_strongest_acidic 4.14 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac (2S)-2-hydroxy-3-methylbutanoic acid ChemAxon average_mass 118.132 ChemAxon mono_mass 118.062994182 ChemAxon smiles [H][C@](O)(C(C)C)C(O)=O ChemAxon formula C5H10O3 ChemAxon inchi InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1 ChemAxon inchikey NGEWQZIDQIYUNV-BYPYZUCNSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 27.84 ChemAxon polarizability 11.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 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::CMs 34086 Specdb::CMs 48971 Specdb::MsMs 890053 Specdb::MsMs 890054 Specdb::MsMs 890055 Specdb::MsMs 932257 Specdb::MsMs 932258 Specdb::MsMs 932259 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 853180 60631 Perekalin, V. V.; Petryaeva, A. K.; Zobacheva, M. M.; Metelkina, E. L. A new method of synthesis of a-hydroxy and a-oxo acids. Doklady Akademii Nauk SSSR (1966), 166(5), 1129-31.