{"ymdb_id":"YMDB02318","created_at":"2012-06-08T21:51:49.000Z","updated_at":"2016-09-08T18:37:50.000Z","name":"D-Leucic acid","cas":"13748-90-8","state":"Solid","melting_point":"78-80 oC","description":"Hydroxyisocaproic acid is derived from the metabolism of the branched-chain amino acids. It belongs to 2-hydroxycarboxylic acid group of amino acid metabolites (PMID 6434570).","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"58992","hmdb_id":"HMDB00746","kegg_id":null,"pubchem_id":"83697","cs_id":"83753","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-hydroxy-4-methylpentanoic acid","traditional_iupac":"leucate","logp":"0.7822806383333333","pka":"14.276112311717824","alogps_solubility":"1.24e+02 g/l","alogps_logp":"0.50","alogps_logs":"-0.03","acceptor_count":"3","donor_count":"2","rotatable_bond_count":"3","polar_surface_area":"57.53","refractivity":"32.513400000000004","polarizability":"13.649767203036058","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-3.801045430820605","pka_strongest_acidic":"4.257807082104199","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(+)-2-Hydroxyisocaproate","(+)-2-Hydroxyisocaproic acid","(+)-a-Hydroxyisocaproate","(+)-a-Hydroxyisocaproic acid","(+)-alpha-Hydroxyisocaproate","(+)-alpha-Hydroxyisocaproic acid","(2S)-2-Hydroxy-4-methylpentanoate","(2S)-2-Hydroxy-4-methylpentanoic acid","(S)-(-)-2-Hydroxyisocaproic acid","(S)-2-hydroxy-4-methyl-Pentanoate","(S)-2-hydroxy-4-methyl-Pentanoic acid","(S)-2-Hydroxyisocaproate","(S)-2-Hydroxyisocaproic acid","(S)-Leucate","(S)-Leucic acid","2-Hydroxy-4-methylvaleric acid","6-methyl catacid","Hydroxyisocaproate","Hydroxyisocaproic acid","L-2-Hydroxy-4-methylpentanoic acid","L-2-Hydroxy-4-methylvalerate","L-2-Hydroxy-4-methylvaleric acid","L-2-Hydroxyisocaproate","L-2-Hydroxyisocaproic acid","L-a-Hydroxyisocaproate","L-a-Hydroxyisocaproic acid","L-alpha-Hydroxyisocaproate","L-alpha-Hydroxyisocaproic acid","L-Leucate","L-Leucic acid","S-2-Hydroxy-4-methylpentanoate","S-2-Hydroxy-4-methylpentanoic acid"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17439666,"citation":"Castrillo, J. I., Zeef, L. A., Hoyle, D. C., Zhang, N., Hayes, A., Gardner, D. C., Cornell, M. J., Petty, J., Hakes, L., Wardleworth, L., Rash, B., Brown, M., Dunn, W. B., Broadhurst, D., O'Donoghue, K., Hester, S. S., Dunkley, T. P., Hart, S. R., Swainston, N., Li, P., Gaskell, S. J., Paton, N. W., Lilley, K. S., Kell, D. B., Oliver, S. G. (2007). \"Growth control of the eukaryote cell: a systems biology study in yeast.\" J Biol 6:4."}],"proteins":[]}