{"ymdb_id":"YMDB01392","created_at":"2011-07-25T20:32:07.000Z","updated_at":"2016-09-08T18:36:38.000Z","name":"butanoic acid","cas":"107-92-6","state":"Liquid","melting_point":"-5.7 oC","description":"Butanoic acid is a volatile compound found in wine and produced during fermentation. It has an unpleasant smell and acrid taste, with a sweetish aftertaste (similar to ether). It is responsible for rancid butter like aromas.","experimental_water_solubility":"60 mg/mL at 25 oC [HEMPHILL,L \u0026 SWANSON,WS (1964)]","experimental_logp_hydrophobicity":"0.79 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":"Shan, Zhiping.  Preparation of butyric acid by hydrogenation of maleic anhydride. U.S. Pat. Appl. Publ.  (2008),     6pp. ","chebi_id":"30772","hmdb_id":"HMDB00039","kegg_id":"C00246","pubchem_id":"264","cs_id":"259","foodb_id":null,"wikipedia_link":"Butyric_acid","biocyc_id":"BUTYRIC_ACID","iupac":"butanoic acid","traditional_iupac":"butyric acid","logp":"0.9217587976666666","pka":null,"alogps_solubility":"2.39e+02 g/l","alogps_logp":"0.78","alogps_logs":"0.43","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"37.3","refractivity":"21.8716","polarizability":"9.216958179769016","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"4.907922196332106","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-butanoate","1-butanoic acid","1-Butyrate","1-Butyric acid","1-Propanecarboxylate","1-Propanecarboxylic acid","acide butanoique","acide butyrique","BUA","Butanate","Butanic acid","butanoate","Butanoic acid","butoic acid","Buttersaeure","Butyrate","butyric acid","C4:0","Ethylacetate","Ethylacetic acid","Honey robber","Kyselina maselna","n-Butanoate","n-Butanoic acid","n-Butyrate","n-Butyric acid","n-C3H7COOH","Propanecarboxylate","Propanecarboxylic acid","Propylformate","Propylformic acid"],"pathways":[{"name":"Butanoate metabolism","kegg_map_id":"00650"},{"name":"Fatty acid biosynthesis","kegg_map_id":"00061"}],"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."},{"pubmed_id":1761208,"citation":"Kogan, G. L., Filipp, D., Arman, I. P., Leibovich, B. A., Beliaeva, E. S. (1991). \"[Cloning of segments of the Drosophila melanogaster genome using artificial chromosomes of the yeast Saccharomyces cerevisiae].\" Genetika 27:1316-1323."}],"proteins":[]}