{"ymdb_id":"YMDB01349","created_at":"2011-07-25T20:20:50.000Z","updated_at":"2016-10-18T17:11:58.000Z","name":"Ethyl hexadecanoate","cas":"628-97-7","state":"Liquid","melting_point":"24 oC","description":"Ethyl hexadecanoate is a volatile ethyl ester found in wine and produced during fermentation by yeast. Ethyl esters are formed by the reaction of ethanol with a fatty acid. They typically have pleasant sweet aromas. The concentrations of ethyl ester 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":"13508494","cs_id":"11860","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl hexadecanoate","traditional_iupac":"ethyl palmitate","logp":"6.759284788333334","pka":null,"alogps_solubility":"5.56e-05 g/l","alogps_logp":"7.78","alogps_logs":"-6.71","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"16","polar_surface_area":"26.3","refractivity":"86.60129999999998","polarizability":"38.4782686296278","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.032123337017739","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":["Ethyl hexadecanoate (Ethyl palmitate)","ethyl n-hexadecanoate","Ethyl palmitate","Hexadecanoic acid, ethyl ester","Palmitic acid, ethyl ester"],"pathways":[],"growth_conditions":[{"growth_media":"Wickerman synthetiv medium","concentration":"0.0316","concentration_units":"uM","error":"0.0"},{"growth_media":"Wickerman synthetiv medium","concentration":"0.00703","concentration_units":"uM","error":"0.0"},{"growth_media":"Wickerman synthetiv medium","concentration":"0.0527","concentration_units":"uM","error":"0.0"},{"growth_media":"Wickerman synthetiv medium","concentration":"0.0387","concentration_units":"uM","error":"0.0"},{"growth_media":"Wickerman synthetiv medium","concentration":"0.664","concentration_units":"uM","error":"0.0"},{"growth_media":"Wickerman synthetiv medium","concentration":"0.123","concentration_units":"uM","error":"0.0"},{"growth_media":"Wickerman synthetiv medium","concentration":"0.257","concentration_units":"uM","error":"0.0"},{"growth_media":"Wickerman synthetiv medium","concentration":"0.116","concentration_units":"uM","error":"0.0"},{"growth_media":"Wickerman synthetiv medium","concentration":"0.197","concentration_units":"uM","error":"0.0"},{"growth_media":"Wickerman synthetiv medium","concentration":"0.12","concentration_units":"uM","error":"0.0"},{"growth_media":"Wickerman synthetiv medium","concentration":"0.278","concentration_units":"uM","error":"0.0"}],"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":[]}