{"ymdb_id":"YMDB00850","created_at":"2011-05-29T18:58:14.000Z","updated_at":"2016-09-08T18:35:59.000Z","name":"6-phospho-2-dehydro-D-gluconic acid","cas":null,"state":null,"melting_point":null,"description":"6-Phospho-2-dehydro-D-gluconic acid is involved in the pentose phosphate pathway. [KEGG]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"2229","hmdb_id":null,"kegg_id":"C01218","pubchem_id":"442","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-(phosphonooxy)hexanoic acid","traditional_iupac":"(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-(phosphonooxy)hexanoic acid","logp":"-2.6137557323333334","pka":"2.7908724855368914","alogps_solubility":"1.81e+01 g/l","alogps_logp":"-2.28","alogps_logs":"-1.18","acceptor_count":"9","donor_count":"6","rotatable_bond_count":"7","polar_surface_area":"181.81999999999996","refractivity":"48.52739999999999","polarizability":"20.837690653131133","formal_charge":"0","physiological_charge":"-3","pka_strongest_basic":"-3.5451291846761714","pka_strongest_acidic":"1.4634723290194778","bioavailability":"1","number_of_rings":"0","rule_of_five":"0","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":[{"name":"Pentose phosphate pathway","kegg_map_id":"00030"}],"growth_conditions":[],"references":[{"pubmed_id":21062828,"citation":"Scheer, M., Grote, A., Chang, A., Schomburg, I., Munaretto, C., Rother, M., Sohngen, C., Stelzer, M., Thiele, J., Schomburg, D. (2011). \"BRENDA, the enzyme information system in 2011.\" Nucleic Acids Res 39:D670-D676."}],"proteins":[]}