1.0 2011-09-21 01:54:57 UTC 2015-07-21 06:59:42 UTC FDB029384 2-Octenoylcarnitine A human metabolite taken as a putative food compound of mammalian origin [HMDB] Octenoyl-L-carnitine C15H27NO4 285.3792 285.194008357 (4S)-4-[(2E)-oct-2-enoyloxy]-4-(trimethylazaniumyl)butanoate (4S)-4-[(2E)-oct-2-enoyloxy]-4-(trimethylammonio)butanoate CCCCC\C=C\C(=O)O[C@@H](CCC([O-])=O)[N+](C)(C)C InChI=1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(16(2,3)4)11-12-14(17)18/h9-10,13H,5-8,11-12H2,1-4H3/b10-9+/t13-/m0/s1 YMIVWYONPRZBEJ-LXKVQUBZSA-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 -1.05 ALOGPS logs -5.79 ALOGPS solubility 5.51e-04 g/l ALOGPS logp -0.97 ChemAxon pka_strongest_acidic 4.13 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac (4S)-4-[(2E)-oct-2-enoyloxy]-4-(trimethylazaniumyl)butanoate ChemAxon average_mass 285.3792 ChemAxon mono_mass 285.194008357 ChemAxon smiles CCCCC\C=C\C(=O)O[C@@H](CCC([O-])=O)[N+](C)(C)C ChemAxon formula C15H27NO4 ChemAxon inchi InChI=1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(16(2,3)4)11-12-14(17)18/h9-10,13H,5-8,11-12H2,1-4H3/b10-9+/t13-/m0/s1 ChemAxon inchikey YMIVWYONPRZBEJ-LXKVQUBZSA-N ChemAxon polar_surface_area 66.43 ChemAxon refractivity 101.29 ChemAxon polarizability 32.59 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18131 Specdb::MsMs 306190 Specdb::MsMs 306191 Specdb::MsMs 306192 Specdb::MsMs 349744 Specdb::MsMs 349745 Specdb::MsMs 349746 HMDB13324