{"ymdb_id":"YMDB01427","created_at":"2011-07-25T20:36:31.000Z","updated_at":"2016-09-08T18:36:40.000Z","name":"3-methylthiopropanol","cas":"505-10-2","state":null,"melting_point":null,"description":"3-Methylthiopropanol is a volatile compound found in wine and produced during fermentation. It is responsible for cabbage like aromas in spoiled wines.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":"49019","hmdb_id":null,"kegg_id":null,"pubchem_id":"10448","cs_id":"10016","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-(methylsulfanyl)propan-1-ol","traditional_iupac":"methionol","logp":"0.4896592643333335","pka":null,"alogps_solubility":"3.31e+01 g/l","alogps_logp":"0.32","alogps_logs":"-0.51","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"20.23","refractivity":"30.098599999999998","polarizability":"12.261882264899016","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.3844472731891972","pka_strongest_acidic":"15.947308474647468","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Propanol, 3-(methylthio)-","3-(Methylsulfanyl)-1-propanol","3-(methylsulfanyl)propanol","3-(methylsulfanyl)propanol (methionol)","3-(Methylthio)-1-propanol","3-(Methylthio)propanol","3-(Methylthio)propyl alcohol","3-Hydroxypropyl methyl sulfide","3-Methylmercapto-1-propanol","3-methylthiopropyl alcohol","gamma-Methylmercaptopropyl alcohol","Methionol"],"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."},{"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":[]}