1.02011-09-21 01:54:19 UTC2019-11-26 03:21:31 UTCFDB029344CapryloylcholineCapryloylcholine is a fatty acid-choline as the ester product of Capryloic 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]C13H28NO2230.3669230.212004145trimethyl[2-(octanoyloxy)ethyl]azaniumtrimethyl[2-(octanoyloxy)ethyl]azaniumCCCCCCCC(=O)OCC[N+](C)(C)CInChI=1S/C13H28NO2/c1-5-6-7-8-9-10-13(15)16-12-11-14(2,3)4/h5-12H2,1-4H3/q+1AKYPZHWYYXDGEW-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 cholinesOrganic compoundsOrganic nitrogen compoundsOrganonitrogen compoundsQuaternary ammonium saltsAliphatic acyclic compoundsAminesCarbonyl compoundsCarboxylic acid estersFatty acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic cationsOrganic oxidesOrganic saltsOrganopnictogen compoundsTetraalkylammonium saltsAcyl cholineAliphatic acyclic compoundAmineCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterFatty acylHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic cationOrganic oxideOrganic oxygen compoundOrganic saltOrganooxygen compoundOrganopnictogen compoundTetraalkylammonium saltSolidlogp-1.15logs-5.78solubility4.46e-04 g/llogp-1.3pka_strongest_basic-7iupactrimethyl[2-(octanoyloxy)ethyl]azaniumaverage_mass230.3669mono_mass230.212004145smilesCCCCCCCC(=O)OCC[N+](C)(C)CformulaC13H28NO2inchiInChI=1S/C13H28NO2/c1-5-6-7-8-9-10-13(15)16-12-11-14(2,3)4/h5-12H2,1-4H3/q+1inchikeyAKYPZHWYYXDGEW-UHFFFAOYSA-Npolar_surface_area26.3refractivity78.98polarizability29.08rotatable_bond_count10acceptor_count1donor_count0physiological_charge1formal_charge1Specdb::CMs171655Specdb::NmrOneD99318Specdb::NmrOneD99319Specdb::NmrOneD99320Specdb::NmrOneD99321Specdb::NmrOneD99322Specdb::NmrOneD99323Specdb::NmrOneD99324Specdb::NmrOneD99325Specdb::NmrOneD99326Specdb::NmrOneD99327Specdb::NmrOneD99328Specdb::NmrOneD99329Specdb::NmrOneD99330Specdb::NmrOneD99331Specdb::NmrOneD99332Specdb::NmrOneD99333Specdb::NmrOneD99334Specdb::NmrOneD99335Specdb::NmrOneD99336Specdb::NmrOneD99337HMDB13225AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Milk (Cow)Type 2specificMountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823