{"ymdb_id":"YMDB01318","created_at":"2011-07-25T20:16:50.000Z","updated_at":"2016-09-08T18:36:31.000Z","name":"2-Hydroxy-3-methylbutyric acid","cas":"4026-18-0","state":"Solid","melting_point":null,"description":"2-Hydroxy-3-methylbutyric acid is an intermediate product of the catabolism of valine to isobutyl alcohol in S. cerevisiae.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":"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. ","chebi_id":"60645","hmdb_id":"HMDB00407","kegg_id":null,"pubchem_id":"99823","cs_id":"90190","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-hydroxy-3-methylbutanoic acid","traditional_iupac":"2-hydroxyisovaleric acid","logp":"0.4156657033333334","pka":"14.053181861607996","alogps_solubility":"2.15e+02 g/l","alogps_logp":"0.10","alogps_logs":"0.26","acceptor_count":"3","donor_count":"2","rotatable_bond_count":"2","polar_surface_area":"57.53","refractivity":"27.8354","polarizability":"11.76765686162724","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-3.8921886131871277","pka_strongest_acidic":"4.138361788089717","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-hydroxy-3-methyl-Butyric acid","2-Hydroxy-3-methylbutanoate","2-Hydroxy-3-methylbutanoic acid","2-Hydroxy-3-methylbutyrate","2-Hydroxyisopentanoate","2-Hydroxyisopentanoic acid","2-Hydroxyisovalerate","2-Hydroxyisovaleric acid","2-Oxyisovalerate","2-Oxyisovaleric acid","3-Methyl-2-hydroxybutyrate","3-Methyl-2-hydroxybutyric acid","A-hydroxyisovalerate","A-hydroxyisovaleric acid","alpha-hydroxyisovalerate","alpha-hydroxyisovaleric acid","DL-2-Hydroxy-3-methylbutanoate","DL-2-Hydroxy-3-methylbutanoic acid","DL-2-Hydroxyisovalerate","DL-2-Hydroxyisovaleric acid","DL-a-hydroxyisovalerate","DL-a-hydroxyisovaleric acid","DL-alpha-hydroxyisovalerate","DL-alpha-hydroxyisovaleric acid"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":9748245,"citation":"Dickinson, J. R., Harrison, S. J., Hewlins, M. J. (1998). \"An investigation of the metabolism of valine to isobutyl alcohol in Saccharomyces cerevisiae.\" J Biol Chem 273:25751-25756."}],"proteins":[]}