{"ymdb_id":"YMDB01582","created_at":"2011-08-31T03:24:54.000Z","updated_at":"2016-09-12T20:57:10.000Z","name":"2-Dehydro-D-gluconate","cas":null,"state":"Solid","melting_point":null,"description":"2-Dehydro-D-gluconate is a substrate for the enzyme dehydrogluconokinase [EC 2.7.1.13].","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"2229","hmdb_id":null,"kegg_id":"C01218","pubchem_id":"37","cs_id":"21864901","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexanoate","traditional_iupac":"2-dehydro-D-gluconate","logp":"-2.4901897010000003","pka":"11.707347147009507","alogps_solubility":"3.63e+02 g/l","alogps_logp":"-2.03","alogps_logs":"0.24","acceptor_count":"7","donor_count":"4","rotatable_bond_count":"5","polar_surface_area":"138.12","refractivity":"48.491600000000005","polarizability":"16.058742534725347","formal_charge":"-1","physiological_charge":"-1","pka_strongest_basic":"-2.974510717467533","pka_strongest_acidic":"2.674777431403159","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-Dehydro-D-gluconate 6-phosphate","6-O-phosphono-D-fructosonic acid","6-Phospho-2-dehydro-D-gluconate"],"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."}],"proteins":[]}