1.0 2011-09-21 01:55:01 UTC 2015-07-21 06:59:43 UTC FDB029389 trans-2-Tetradecenoylcarnitine A human metabolite taken as a putative food compound of mammalian origin [HMDB] 2E-Tetradecenoylcarnitine Tetradecenoyl-L-carnitine C21H39NO4 369.5387 369.287908741 (4S)-4-[(2E)-tetradec-2-enoyloxy]-4-(trimethylazaniumyl)butanoate (4S)-4-[(2E)-tetradec-2-enoyloxy]-4-(trimethylammonio)butanoate CCCCCCCCCCC\C=C\C(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(22(2,3)4)17-18-20(23)24/h15-16,19H,5-14,17-18H2,1-4H3/b16-15+/t19-/m0/s1 VDPVQRIJJXMKLV-VVLLFNJHSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid salts Carboxylic acids Dicarboxylic acids and derivatives Enoate esters Hydrocarbon derivatives Organic oxides Organic salts Organopnictogen compounds Tetraalkylammonium salts Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Carboxylic acid salt Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Tetraalkylammonium salt Solid logp 0.84 ALOGPS logs -7.49 ALOGPS solubility 1.37e-05 g/l ALOGPS logp 1.7 ChemAxon pka_strongest_acidic 4.13 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac (4S)-4-[(2E)-tetradec-2-enoyloxy]-4-(trimethylazaniumyl)butanoate ChemAxon average_mass 369.5387 ChemAxon mono_mass 369.287908741 ChemAxon smiles CCCCCCCCCCC\C=C\C(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O ChemAxon formula C21H39NO4 ChemAxon inchi InChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(22(2,3)4)17-18-20(23)24/h15-16,19H,5-14,17-18H2,1-4H3/b16-15+/t19-/m0/s1 ChemAxon inchikey VDPVQRIJJXMKLV-VVLLFNJHSA-N ChemAxon polar_surface_area 66.43 ChemAxon refractivity 128.9 ChemAxon polarizability 45.38 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16271 Specdb::MsMs 302044 Specdb::MsMs 302045 Specdb::MsMs 302046 Specdb::MsMs 344674 Specdb::MsMs 344675 Specdb::MsMs 344676 HMDB13329