1.0 2011-09-21 01:54:21 UTC 2015-07-21 06:59:41 UTC FDB029346 Decanoylcholine Decanoylcholine is a fatty acid-choline as the ester product of Decanoic acid and cholinel. The pharmacological effects of a series of fatty acid-choline esters have been studied on the isolated rabbit heart, the isolated guinea-pig ileum and the rat stomach. The effect changed with increasing chain length, and three different types of response were observed. The shortchain compounds produced depression of the isolated rabbit heart and spasm of the isolated guinea-pig ileum. Only one, butyrylcholine, had an erratic stimulating effect on hydrochloric acid secretion by the partially vagotomized rat stomach. Medium-chain compounds had a stimulating effect on the isolated rabbit heart, a mixed spasmogenic and relaxant effect on the isolated guinea-pig ileum, and no effect on the rat stomach. Long-chain compounds blocked the effect of acetylcholine on the isolated rabbit heart and the isolated guinea-pig ileum; they also depressed spontaneous hydrochloric acid secretion by the rat stomach. [HMDB] C15H32NO2 258.4201 258.243304273 [2-(decanoyloxy)ethyl]trimethylazanium [2-(decanoyloxy)ethyl]trimethylazanium CCCCCCCCCC(=O)OCC[N+](C)(C)C InChI=1S/C15H32NO2/c1-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2,3)4/h5-14H2,1-4H3/q+1 VZSPWUMYXMBAJB-UHFFFAOYSA-N belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH. Acyl cholines Organic compounds Organic nitrogen compounds Organonitrogen compounds Quaternary ammonium salts Aliphatic acyclic compounds Amines Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic cations Organic oxides Organic salts Organopnictogen compounds Tetraalkylammonium salts Acyl choline Aliphatic acyclic compound Amine Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic cation Organic oxide Organic oxygen compound Organic salt Organooxygen compound Organopnictogen compound Tetraalkylammonium salt acylcholine Solid logp -0.14 ALOGPS logs -6.54 ALOGPS solubility 8.41e-05 g/l ALOGPS logp -0.41 ChemAxon pka_strongest_basic -7 ChemAxon iupac [2-(decanoyloxy)ethyl]trimethylazanium ChemAxon average_mass 258.4201 ChemAxon mono_mass 258.243304273 ChemAxon smiles CCCCCCCCCC(=O)OCC[N+](C)(C)C ChemAxon formula C15H32NO2 ChemAxon inchi InChI=1S/C15H32NO2/c1-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2,3)4/h5-14H2,1-4H3/q+1 ChemAxon inchikey VZSPWUMYXMBAJB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 88.18 ChemAxon polarizability 33.3 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 130757 Specdb::CMs 138491 Specdb::NmrOneD 99338 Specdb::NmrOneD 99339 Specdb::NmrOneD 99340 Specdb::NmrOneD 99341 Specdb::NmrOneD 99342 Specdb::NmrOneD 99343 Specdb::NmrOneD 99344 Specdb::NmrOneD 99345 Specdb::NmrOneD 99346 Specdb::NmrOneD 99347 Specdb::NmrOneD 99348 Specdb::NmrOneD 99349 Specdb::NmrOneD 99350 Specdb::NmrOneD 99351 Specdb::NmrOneD 99352 Specdb::NmrOneD 99353 Specdb::NmrOneD 99354 Specdb::NmrOneD 99355 Specdb::NmrOneD 99356 Specdb::NmrOneD 99357 HMDB13228