{"ymdb_id":"YMDB01408","created_at":"2011-07-25T20:34:06.000Z","updated_at":"2016-09-08T18:36:39.000Z","name":"hydroxyl diethyl succinate","cas":null,"state":null,"melting_point":null,"description":"Hydroxyl diethyl succinate is a volatile ester found in wine and produced during fermentation. It is produced from the reaction of ethanol with citramalate.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":"29191","hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":"22619","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"1,4-diethyl 2-hydroxybutanedioate","traditional_iupac":"1,4-diethyl 2-hydroxybutanedioate","logp":"-0.10823740666666679","pka":null,"alogps_solubility":"9.65e+01 g/l","alogps_logp":"0.34","alogps_logs":"-0.29","acceptor_count":"3","donor_count":"1","rotatable_bond_count":"7","polar_surface_area":"72.83","refractivity":"43.9106","polarizability":"18.75039341481834","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.9173623972859923","pka_strongest_acidic":"12.442701423671714","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["hydroxyl","hydroxyl radical"],"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":[]}