{"ymdb_id":"YMDB01374","created_at":"2011-07-25T20:24:04.000Z","updated_at":"2016-09-08T18:36:36.000Z","name":"3-Methylbutyl pentadecanoate","cas":null,"state":null,"melting_point":null,"description":"3-Methylbutyl pentadecanoate is a volatile alkyl ester found in wine and produced during fermentation by yeast. Alkyl esters are formed by the reaction of an alcohol with a fatty acid. The concentrations of alkyl esters decrease over time as a wine ages due to spontaneous hydrolysis.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"18004049","cs_id":"19970715","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-methylbutyl pentadecanoate","traditional_iupac":"3-methylbutyl pentadecanoate","logp":"7.568826279666668","pka":null,"alogps_solubility":"3.08e-05 g/l","alogps_logp":"8.19","alogps_logs":"-7.01","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"17","polar_surface_area":"26.3","refractivity":"95.67389999999997","polarizability":"42.617652839658724","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.032747581683913","pka_strongest_acidic":null,"bioavailability":"0","number_of_rings":"0","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":20151225,"citation":"Tsakiris, A., Koutinas, A. A., Psarianos, C., Kourkoutas, Y., Bekatorou, A. (2010). \"A new process for wine production by penetration of yeast in uncrushed frozen grapes.\" Appl Biochem Biotechnol 162:1109-1121."}],"proteins":[]}