{"ymdb_id":"YMDB01466","created_at":"2011-07-25T20:41:15.000Z","updated_at":"2016-09-08T18:36:43.000Z","name":"3-(Methylsulfanyl)Propanal","cas":"3268-49-3","state":"Solid","melting_point":"","description":"Volatile aroma compound found in yeast extracts","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"49017","hmdb_id":null,"kegg_id":null,"pubchem_id":"18635","cs_id":"17597","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-(methylsulfanyl)propanal","traditional_iupac":"methional","logp":"0.6761813296666669","pka":null,"alogps_solubility":"1.31e+01 g/l","alogps_logp":"1.22","alogps_logs":"-0.90","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"17.07","refractivity":"28.799500000000002","polarizability":"11.311066632000678","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.9627967263333685","pka_strongest_acidic":"16.452175384550326","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["3-(Methylmercapto)propionaldehyde","3-(Methylthio)propanal","3-(methylthio)propanal (methional)","3-(Methylthio)propionaldehyde","3-(methylthio)propionaldehyde (methional)","3-(methylthiol)propanal","3-(methythio)-propanal","3-Methylthio-1-propanal","3-Methylthiopropional","4-Thiapentanal","beta-(Methylmercapto)propionaldehyde","beta-(Methylthio)propionaldehyde","Methional","Methylmercaptopropionic aldehyde","Propanal, 3-(methylthio)-","Propionaldehyde, 3-(methylthio)-"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":10794639,"citation":"Perpete, P., Collin, S. (1999). \"Contribution of 3-methylthiopropionaldehyde to the worty flavor of alcohol-free beers.\" J Agric Food Chem 47:2374-2378."},{"pubmed_id":16968089,"citation":"Mahadevan, K., Farmer, L. (2006). \"Key odor impact compounds in three yeast extract pastes.\" J Agric Food Chem 54:7242-7250."}],"proteins":[]}