{"ymdb_id":"YMDB01584","created_at":"2011-08-31T03:25:03.000Z","updated_at":"2016-09-12T20:57:10.000Z","name":"2-Hydroxy-2-methylbutanedioic acid","cas":"2306-22-1","state":"Solid","melting_point":null,"description":"2-Hydroxy-2-methylbutanedioic acid (citramalate) is broken down into aceta and pyruvate by the enzyme citramalate lyase [EC 4.1.3.22].","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":"","pubchem_id":"1081","cs_id":"1051","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-hydroxy-2-methylbutanedioic acid","traditional_iupac":"citramalate, (+-)-","logp":"-0.6808755420000001","pka":"5.3015290068332295","alogps_solubility":"2.97e+02 g/l","alogps_logp":"-0.91","alogps_logs":"0.30","acceptor_count":"5","donor_count":"3","rotatable_bond_count":"3","polar_surface_area":"94.83","refractivity":"29.5885","polarizability":"12.68540259019519","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"-3.967730895376275","pka_strongest_acidic":"3.3477157472119226","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-hydroxy-2-methylbutandis","Citramalate"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19889834,"citation":"Boer, V. M., Crutchfield, C. A., Bradley, P. H., Botstein, D., Rabinowitz, J. D. (2010). \"Growth-limiting intracellular metabolites in yeast growing under diverse nutrient limitations.\" Mol Biol Cell 21:198-211."},{"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":[]}