{"ymdb_id":"YMDB00788","created_at":"2011-05-29T18:53:06.000Z","updated_at":"2016-09-08T18:35:54.000Z","name":"S-Methyl 3-phospho-1-thio-D-glycerate","cas":null,"state":null,"melting_point":null,"description":"S-Methyl 3-phospho-1-thio-D-glycerate is a substrate for the methylphosphothioglycerate phosphatase. [KEGG]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"15880","hmdb_id":null,"kegg_id":"C04399","pubchem_id":"440324","cs_id":"389294","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"[(2R)-2-hydroxy-3-(methylsulfanyl)-3-oxopropoxy]phosphonic acid","traditional_iupac":"(2R)-2-hydroxy-3-(methylsulfanyl)-3-oxopropoxyphosphonic acid","logp":"-0.7417819529999998","pka":"6.383215881667843","alogps_solubility":"2.46e+01 g/l","alogps_logp":"-1.19","alogps_logs":"-0.94","acceptor_count":"5","donor_count":"3","rotatable_bond_count":"5","polar_surface_area":"104.06000000000002","refractivity":"42.321200000000005","polarizability":"17.76385119039999","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"-4.008634774048779","pka_strongest_acidic":"1.3570112306195887","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["S-Methyl-3-phospho-1-thio-D-glycerate"],"pathways":[],"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."},{"pubmed_id":13345808,"citation":"BLACK, S., WRIGHT, N. G. (1956). \"Enzymatic formation of glyceryl and phosphoglyceryl methylthiol esters.\" J Biol Chem 221:171-180."}],"proteins":[]}