{"ymdb_id":"YMDB01536","created_at":"2011-08-11T20:15:35.000Z","updated_at":"2016-10-18T17:12:04.000Z","name":"Butyrylcarnitine","cas":"25576-40-3","state":"Solid","melting_point":null,"description":"Butyrylcarnitine is an ester of carnitine with butyric acid, a C4 carboxylic acid. Carnitine is used for the transport of fatty acids during beta-oxidation, during what fatty acids are broken down to acetyl-CoA.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":"HMDB02013","kegg_id":"C02862","pubchem_id":"439829","cs_id":"388877","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(3R)-3-(butanoyloxy)-4-(trimethylazaniumyl)butanoate","traditional_iupac":"O-butanoylcarnitine","logp":"-3.3012761258050785","pka":null,"alogps_solubility":"5.23e-02 g/l","alogps_logp":"-2.10","alogps_logs":"-3.74","acceptor_count":"3","donor_count":"0","rotatable_bond_count":"8","polar_surface_area":"66.43","refractivity":"81.8647","polarizability":"24.796522551548037","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.057078620656008","pka_strongest_acidic":"4.26892391250365","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(3-Carboxy-2-hydroxypropyl)trimethyl-L-butyrate","(R)-3-Carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-1-propanaminium","Butylcarnitine","Butyryl-L-carnitine","Ester with (3-carboxy-2-hydroxypropyl)trimethylammonium  L-butyric acid","Ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium butyric acid","L-Carnitine butyryl ester","N-Butyryl-L(-)-carnitine","O-Butanoylcarnitine","O-Butyrylcarnitine"],"pathways":[],"growth_conditions":[{"growth_media":"YEB media with 0.5 mM glucose","concentration":"1.0","concentration_units":"\u0026#181;M","error":"0.0"}],"references":[],"proteins":[]}