1.0 2019-10-16 14:40:43 UTC 2019-10-16 14:40:43 UTC FDB093753 Rumenic acid C18H32O2 280.4455 280.240230268 (9Z,11E)-octadeca-9,11-dienoic acid cis-9,trans-11-CLA [H]\C(CCCCCC)=C(\[H])/C(/[H])=C(/[H])CCCCCCCC(O)=O InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9- JBYXPOFIGCOSSB-GOJKSUSPSA-N belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Lineolic acids and derivatives Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Long-chain fatty acid Monocarboxylic acid or derivatives Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid Polyunsaturated fatty acids Unsaturated fatty acids octadeca-9,11-dienoic acid logp 7.11 ALOGPS logs -6.28 ALOGPS solubility 1.48e-04 g/l ALOGPS logp 6.42 ChemAxon pka_strongest_acidic 4.99 ChemAxon iupac (9Z,11E)-octadeca-9,11-dienoic acid ChemAxon average_mass 280.4455 ChemAxon mono_mass 280.240230268 ChemAxon smiles [H]\C(CCCCCC)=C(\[H])/C(/[H])=C(/[H])CCCCCCCC(O)=O ChemAxon formula C18H32O2 ChemAxon inchi InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9- ChemAxon inchikey JBYXPOFIGCOSSB-GOJKSUSPSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 88.52 ChemAxon polarizability 36.55 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13595 Specdb::CMs 38655 Specdb::CMs 132089 Specdb::CMs 139823 Specdb::MsMs 374019 Specdb::MsMs 374020 Specdb::MsMs 374021 Specdb::MsMs 374022 Specdb::MsMs 440483 Specdb::MsMs 440484 Specdb::MsMs 440485 Specdb::MsMs 2244277 Specdb::MsMs 2246439 Specdb::MsMs 2247831 Specdb::MsMs 337135 Specdb::MsMs 337136 Specdb::MsMs 337137 Specdb::MsMs 2718336 Specdb::MsMs 2718337 Specdb::MsMs 2718338 Specdb::MsMs 295960 Specdb::MsMs 295961 Specdb::MsMs 295962 Specdb::MsMs 2964105 Specdb::MsMs 2964106 Specdb::MsMs 2964107 FOBI:08826 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