{"ymdb_id":"YMDB00856","created_at":"2011-05-29T18:58:41.000Z","updated_at":"2016-09-08T18:35:59.000Z","name":"2-Dehydropantolactone","cas":"13031-04-4","state":null,"melting_point":null,"description":"2-Dehydropantolactone is converted to (R)-pantolactone in the phosphopantothenate biosynthesis pathway. The product of this pathway, D-4'-phosphopantothenate, is the universal precursor for the synthesis of the 4'-phosphopantetheine moiety of coenzyme A and acyl carrier protein. Only plants and microorganisms can synthesize pantothenate de novo. [Biocyc PWY-3961]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"18395","hmdb_id":null,"kegg_id":"C01125","pubchem_id":"39","cs_id":"38","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"4,4-dimethyloxolane-2,3-dione","traditional_iupac":"ketopantolactone","logp":"1.4824436820000004","pka":null,"alogps_solubility":"3.97e+01 g/l","alogps_logp":"0.45","alogps_logs":"-0.51","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"43.370000000000005","refractivity":"29.974600000000002","polarizability":"12.030223879659617","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.772833971009851","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-Dehydropantolactone","2-Dehydropantoyl lactone","Dihydro-4,4-dimethyl-2,3-Furandione"],"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."}],"proteins":[]}