{"ymdb_id":"YMDB01402","created_at":"2011-07-25T20:33:22.000Z","updated_at":"2016-09-08T18:36:38.000Z","name":"monoethyl succinate","cas":"1070-34-4","state":"Liquid","melting_point":"8 oC","description":"Monoethyl succinate is one of the major volatile compound found in wine and produced during fermentation. It is formed by the reaction of a single ethanol with succinic acid.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"70610","cs_id":"63778","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"4-ethoxy-4-oxobutanoic acid","traditional_iupac":"4-ethoxy-4-oxobutanoic acid","logp":"0.10421904333333341","pka":null,"alogps_solubility":"7.24e+01 g/l","alogps_logp":"0.24","alogps_logs":"-0.30","acceptor_count":"3","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"63.6","refractivity":"33.0547","polarizability":"14.203943206513877","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-7.037889311664773","pka_strongest_acidic":"4.211263792778997","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["4-Ethoxy-4-oxobutanoic acid","Butanedioic acid, monoethyl ester","monoethyl butanedioate","succinic acid monoethyl ester"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":12236692,"citation":"Patel, S., Shibamoto, T. (2002). \"Effect of different strains of Saccharomyces cerevisiae on production of volatiles in Napa Gamay wine and Petite Sirah wine.\" J Agric Food Chem 50:5649-5653."}],"proteins":[]}