1.0 2011-09-21 01:54:57 UTC 2015-07-21 06:59:43 UTC FDB029385 2-trans,4-cis-Decadienoylcarnitine A human metabolite taken as a putative food compound of mammalian origin [HMDB] C17H29NO4 311.4165 311.209658421 (4S)-4-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylazaniumyl)butanoate (4S)-4-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylammonio)butanoate CCCCC\C=C/C=C/C(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(18(2,3)4)13-14-16(19)20/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+/t15-/m0/s1 GDMITEPIMYKPHX-USKNYQQNSA-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 -0.73 ALOGPS logs -6.23 ALOGPS solubility 2.14e-04 g/l ALOGPS logp -0.44 ChemAxon pka_strongest_acidic 4.15 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac (4S)-4-[(2E,4Z)-deca-2,4-dienoyloxy]-4-(trimethylazaniumyl)butanoate ChemAxon average_mass 311.4165 ChemAxon mono_mass 311.209658421 ChemAxon smiles CCCCC\C=C/C=C/C(=O)O[C@H]([N+](C)(C)C)CCC([O-])=O ChemAxon formula C17H29NO4 ChemAxon inchi InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(18(2,3)4)13-14-16(19)20/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+/t15-/m0/s1 ChemAxon inchikey GDMITEPIMYKPHX-USKNYQQNSA-N ChemAxon polar_surface_area 66.43 ChemAxon refractivity 111.61 ChemAxon polarizability 35.56 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17228 Specdb::MsMs 304102 Specdb::MsMs 304103 Specdb::MsMs 304104 Specdb::MsMs 347215 Specdb::MsMs 347216 Specdb::MsMs 347217 HMDB13325 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823