1.0 2011-09-21 01:53:55 UTC 2015-07-21 06:59:41 UTC FDB029319 2-Hydroxylauroylcarnitine A human metabolite taken as a putative food compound of mammalian origin [HMDB] C19H37NO5 359.5008 359.267173299 3-[(2-hydroxydodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate 3-[(2-hydroxydodecanoyl)oxy]-4-(trimethylammonio)butanoate CCCCCCCCCCC(O)C(=O)OC(CC([O-])=O)C[N+](C)(C)C InChI=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,5-15H2,1-4H3 PBBJEGGNZPXIGJ-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 carnitines Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Amines Carbonyl compounds Carboxylic acid esters Carboxylic acid salts Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Monosaccharides Organic oxides Organic salts Organic zwitterions Organopnictogen compounds Secondary alcohols Tetraalkylammonium salts Acyl-carnitine Alcohol Aliphatic acyclic compound Amine Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Carboxylic acid salt Dicarboxylic acid or derivatives Hydrocarbon derivative Monosaccharide Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Quaternary ammonium salt Secondary alcohol Tetraalkylammonium salt Solid logp -1.19 ALOGPS logs -5.65 ALOGPS solubility 9.21e-04 g/l ALOGPS logp -0.62 ChemAxon pka_strongest_acidic 4.1 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 3-[(2-hydroxydodecanoyl)oxy]-4-(trimethylazaniumyl)butanoate ChemAxon average_mass 359.5008 ChemAxon mono_mass 359.267173299 ChemAxon smiles CCCCCCCCCCC(O)C(=O)OC(CC([O-])=O)C[N+](C)(C)C ChemAxon formula C19H37NO5 ChemAxon inchi InChI=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,5-15H2,1-4H3 ChemAxon inchikey PBBJEGGNZPXIGJ-UHFFFAOYSA-N ChemAxon polar_surface_area 86.66 ChemAxon refractivity 120.16 ChemAxon polarizability 42.69 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 40075 Specdb::CMs 172326 Specdb::MsMs 2495243 Specdb::MsMs 2495244 Specdb::MsMs 2495245 Specdb::NmrOneD 11902 Specdb::NmrOneD 11903 Specdb::NmrOneD 11904 Specdb::NmrOneD 11905 Specdb::NmrOneD 11906 Specdb::NmrOneD 11907 Specdb::NmrOneD 11908 Specdb::NmrOneD 11909 Specdb::NmrOneD 11910 Specdb::NmrOneD 11911 Specdb::NmrOneD 11912 Specdb::NmrOneD 11913 Specdb::NmrOneD 11914 Specdb::NmrOneD 11915 Specdb::NmrOneD 11916 Specdb::NmrOneD 11917 Specdb::NmrOneD 11918 Specdb::NmrOneD 11919 Specdb::NmrOneD 11920 Specdb::NmrOneD 11921 HMDB13164