{"ymdb_id":"YMDB01419","created_at":"2011-07-25T20:35:29.000Z","updated_at":"2016-09-08T18:36:39.000Z","name":"Ethyl 4-hydroxybutanoate","cas":null,"state":null,"melting_point":null,"description":"Ethyl 4-hydroxybutanoate 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":"357772","cs_id":"317608","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl 4-hydroxybutanoate","traditional_iupac":"ethyl 4-hydroxybutanoate","logp":"-0.0122178083333331","pka":null,"alogps_solubility":"2.20e+02 g/l","alogps_logp":"0.43","alogps_logs":"0.22","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"46.53","refractivity":"33.318","polarizability":"14.252643873124189","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.3817167659158365","pka_strongest_acidic":"15.953551061006316","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["ethyl 4-hydroxybutyrate"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":10552428,"citation":"Antonelli, A., Castellari, L., Zambonelli, C., Carnacini, A. (1999). \"Yeast influence on volatile composition of wines.\" J Agric Food Chem 47:1139-1144."}],"proteins":[]}