1.0 2016-10-03 18:01:41 UTC 2020-04-22 15:39:31 UTC BMDB0010223 BMDB10223 9-HODE 9-Hydroxy-10,12-octadecadienoate 9-Hydroxy-10,12-octadecadienoic acid 9-Hydroxy-10E,12E-octadecadienoate 9-Hydroxy-10E,12E-octadecadienoic acid 9-Hydroxy-trans-10,trans-12-octadecadienoate 9-Hydroxy-trans-10,trans-12-octadecadienoic acid 9-Hydroxylinoleic acid alpha-Dimorphecolic acid Dimorphecolic acid 9-OH-18:2DElta(10t,12t) 9-Hydroxy-10,12-octadecadienoic acid, (R-(e,Z))-isomer 9-Hydroxy-10,12-octadecadienoic acid, (S-(e,Z))-isomer 9-Hydroxy-10,12-octadecadienoic acid, (e,Z)-(+-)-isomer 9-Hydroxy-10,12-octadecadienoic acid, (e,e)-(+-)-isomer 9-Hydroxy-10,12-octadecadienoic acid, (e,e)-isomer 9-Hydroxy-10,12-octadecadienoic acid, (e,Z)-isomer Dimorphecolate 9-HODE C18H32O3 296.4449 296.23514489 (10E,12E)-9-hydroxyoctadeca-10,12-dienoic acid dimorphecolic acid 15514-85-9 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-SIGMCMEVSA-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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Lineolic acids and derivatives 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 Aliphatic acyclic compounds Other Octadecanoids Solid logp 5.88 ALOGPS logs -4.96 ALOGPS logp 5.19 ChemAxon pka_strongest_acidic 4.68 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac (10E,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-SIGMCMEVSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 90.03 ChemAxon polarizability 37.98 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 301888 Specdb::MsMs 301889 Specdb::MsMs 301890 Specdb::MsMs 344491 Specdb::MsMs 344492 Specdb::MsMs 344493 Specdb::MsMs 452198 Specdb::CMs 16199 Specdb::CMs 39436 4446072 5282945 FDB031387 595882 9-Hydroxyoctadecadienoic acid