{"ymdb_id":"YMDB02323","created_at":"2012-06-08T21:52:21.000Z","updated_at":"2016-09-08T18:37:50.000Z","name":"Stearic acid-propyl ester","cas":null,"state":null,"melting_point":null,"description":"Stearic acid-propyl ester is a volatile ester formed from the reaction of stearic acid with propanol.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"77190","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"propyl octadecanoate","traditional_iupac":"octadecanoic acid propyl ester","logp":"8.170944513333334","pka":null,"alogps_solubility":"2.39e-05 g/l","alogps_logp":"8.99","alogps_logs":"-7.14","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"19","polar_surface_area":"26.3","refractivity":"100.32729999999998","polarizability":"44.860902455179044","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.032707675067303","pka_strongest_acidic":null,"bioavailability":"0","number_of_rings":"0","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17439666,"citation":"Castrillo, J. I., Zeef, L. A., Hoyle, D. C., Zhang, N., Hayes, A., Gardner, D. C., Cornell, M. J., Petty, J., Hakes, L., Wardleworth, L., Rash, B., Brown, M., Dunn, W. B., Broadhurst, D., O'Donoghue, K., Hester, S. S., Dunkley, T. P., Hart, S. R., Swainston, N., Li, P., Gaskell, S. J., Paton, N. W., Lilley, K. S., Kell, D. B., Oliver, S. G. (2007). \"Growth control of the eukaryote cell: a systems biology study in yeast.\" J Biol 6:4."}],"proteins":[]}