1.0 2010-04-08 22:05:38 UTC 2018-05-28 22:16:36 UTC FDB003060 alpha-Dimorphecolic acid Present in plant and animal lipids as autoxidn. or lipoxygenase oxidn. production of linoleic acid. (10e,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoate (10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoic acid (9S,10e,12Z)-9-Hydroxyoctadeca-10,12-dienoate (9S,10E,12Z)-9-Hydroxyoctadeca-10,12-dienoic acid (9S)-Hydroxyoctadecadienoate (9S)-Hydroxyoctadecadienoic acid (9S)-Hydroxyoctadecadinoiec acid [S-(e,Z)]-9-Hydroxy-10,12-octadecadienoate [S-(E,Z)]-9-Hydroxy-10,12-Octadecadienoic acid 9(S)-HODE 9S-Hydroxy-10e,12Z-octadecadienoate 9S-Hydroxy-10E,12Z-octadecadienoic acid a-Dimorphecolic acid alpha-Dimorphecolic C18H32O3 296.4449 296.23514489 (10Z,12E)-9-hydroxyoctadeca-10,12-dienoic acid (10Z,12E)-9-hydroxyoctadeca-10,12-dienoic acid 73543-67-6 CCCCC\C=C\C=C/C(O)CCCCCCCC(O)=O InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11- NPDSHTNEKLQQIJ-SQKGQWCESA-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 Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Unsaturated fatty acids Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Hydroxy fatty acid Long-chain fatty acid Monocarboxylic acid or derivatives Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Unsaturated fatty acid Solid logp 5.88 ALOGPS logs -4.96 ALOGPS solubility 3.22e-03 g/l ALOGPS logp 5.19 ChemAxon pka_strongest_acidic 4.68 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (10Z,12E)-9-hydroxyoctadeca-10,12-dienoic acid ChemAxon average_mass 296.4449 ChemAxon mono_mass 296.23514489 ChemAxon smiles CCCCC\C=C\C=C/C(O)CCCCCCCC(O)=O ChemAxon formula C18H32O3 ChemAxon inchi InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11- ChemAxon inchikey NPDSHTNEKLQQIJ-SQKGQWCESA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 90.03 ChemAxon polarizability 37.29 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 55440 Specdb::MsMs 55441 Specdb::MsMs 55442 Specdb::MsMs 110592 Specdb::MsMs 110593 Specdb::MsMs 110594 HMDB04670 34496 9HO #<Reference:0x000055ce32ac3a40> #<Reference:0x000055ce32ac3838> #<Reference:0x000055ce32ac3630> 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