{"ymdb_id":"YMDB00796","created_at":"2011-05-29T18:53:47.000Z","updated_at":"2016-10-18T17:11:36.000Z","name":"(R)-pantolactone","cas":"599-04-2","state":"Solid","melting_point":"92 oC","description":"(R)-Pantolactone is an intermediate in phosphopantothenate biosynthesis pathway. [Biocyc PWY-3961]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"16719","hmdb_id":null,"kegg_id":"C01012","pubchem_id":"439368","cs_id":"388488","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(3R)-3-hydroxy-4,4-dimethyloxolan-2-one","traditional_iupac":"pantolactone","logp":"0.17736652133333358","pka":null,"alogps_solubility":"3.61e+02 g/l","alogps_logp":"0.27","alogps_logs":"0.44","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"46.53","refractivity":"30.516","polarizability":"12.76929755050946","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.0111706534367775","pka_strongest_acidic":"12.228233531237361","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(3R)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-Furanone","(D)-Pantolactone","(R)-(-)-Pantolactone","(R)-Pantolactone","(R)-Pantoyl lactone","2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, (R)-","2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-, D-(-)-","3-Hydroxy-4,4-dimethyldihydro-2(3H)-furanone","D-(-)-Pantoic acid lactone","D-(-)-Pantolactone","D-(-)-Pantolyl lactone","D-(-)Pantoyl lactone","D-1-Hydroxy-2,2-dimethyl-3-butyrolactone","Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone, pantolactone","Pantolyl lactone","Pantothenic lactone","Pantoyl lactone","Pentoyl lactone","Pentoyl lactone clene"],"pathways":[],"growth_conditions":[{"growth_media":"Must from Vitis vinifera,  cv.  Pedro Ximrnez (Sherry Wine)","concentration":"61.47132","concentration_units":"\u0026#181;M","error":"7.68391"},{"growth_media":"Must from Vitis vinifera,  cv.  Pedro Ximrnez (Sherry Wine)","concentration":"61.47132","concentration_units":"\u0026#181;M","error":"15.36783"}],"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":17616208,"citation":"Loscos, N., Hernandez-Orte, P., Cacho, J., Ferreira, V. (2007). \"Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions.\" J Agric Food Chem 55:6674-6684."},{"pubmed_id":null,"citation":" Zea, L., Moreno, J., Ortega, J. M., Mauricio, J. C., Medina, M. (1995) \"Comparative study of the _-butyrolactone and pantolactone contents in cells and musts during vinification by three Saccharomyces cerevisiae races.\" Biotechnology Letters. Volume 17, Number 12, 1351-1356"}],"proteins":[]}