1.02011-09-21 01:53:55 UTC2015-07-21 06:59:41 UTCFDB0293192-HydroxylauroylcarnitineA human metabolite taken as a putative food compound of mammalian origin [HMDB]C19H37NO5359.5008359.2671732993-[(2-hydroxydodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate3-[(2-hydroxydodecanoyl)oxy]-4-(trimethylammonio)butanoateCCCCCCCCCCC(O)C(=O)OC(CC([O-])=O)C[N+](C)(C)CInChI=1S/C19H37NO5/c1-5-6-7-8-9-10-11-12-13-17(21)19(24)25-16(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3PBBJEGGNZPXIGJ-UHFFFAOYSA-N belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond.Acyl carnitinesOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty acid estersAliphatic acyclic compoundsAminesCarbonyl compoundsCarboxylic acid estersCarboxylic acid saltsCarboxylic acidsDicarboxylic acids and derivativesHydrocarbon derivativesMonosaccharidesOrganic oxidesOrganic saltsOrganic zwitterionsOrganopnictogen compoundsSecondary alcoholsTetraalkylammonium saltsAcyl-carnitineAlcoholAliphatic acyclic compoundAmineCarbonyl groupCarboxylic acidCarboxylic acid derivativeCarboxylic acid esterCarboxylic acid saltDicarboxylic acid or derivativesHydrocarbon derivativeMonosaccharideOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganic saltOrganic zwitterionOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundQuaternary ammonium saltSecondary alcoholTetraalkylammonium saltSolidlogp-1.19logs-5.65solubility9.21e-04 g/llogp-0.62pka_strongest_acidic4.1pka_strongest_basic-3.8iupac3-[(2-hydroxydodecanoyl)oxy]-4-(trimethylazaniumyl)butanoateaverage_mass359.5008mono_mass359.267173299smilesCCCCCCCCCCC(O)C(=O)OC(CC([O-])=O)C[N+](C)(C)CformulaC19H37NO5inchiInChI=1S/C19H37NO5/c1-5-6-7-8-9-10-11-12-13-17(21)19(24)25-16(14-18(22)23)15-20(2,3)4/h16-17,21H,5-15H2,1-4H3inchikeyPBBJEGGNZPXIGJ-UHFFFAOYSA-Npolar_surface_area86.66refractivity120.16polarizability42.69rotatable_bond_count16acceptor_count4donor_count1physiological_charge0formal_charge0Specdb::MsMs2495243Specdb::MsMs2495244Specdb::MsMs2495245Specdb::CMs40075Specdb::CMs172326Specdb::NmrOneD11902Specdb::NmrOneD11903Specdb::NmrOneD11904Specdb::NmrOneD11905Specdb::NmrOneD11906Specdb::NmrOneD11907Specdb::NmrOneD11908Specdb::NmrOneD11909Specdb::NmrOneD11910Specdb::NmrOneD11911Specdb::NmrOneD11912Specdb::NmrOneD11913Specdb::NmrOneD11914Specdb::NmrOneD11915Specdb::NmrOneD11916Specdb::NmrOneD11917Specdb::NmrOneD11918Specdb::NmrOneD11919Specdb::NmrOneD11920Specdb::NmrOneD11921HMDB13164