1.0 2016-09-30 23:15:03 UTC 2020-04-22 15:15:15 UTC BMDB0005049 BMDB05049 10-Nitrolinoleic acid 10-Nitro-9-cis,12-cis-octadecadienoic acid 10-Nitro-9-cis,12-cis-octadecadienoate (9E,12Z)-10-Nitrooctadeca-9,12-dienoic acid (9E,12Z)-10-Nitrooctadeca-9,12-dienoate 10-Nitrolinoleate 10-Nitro-9,12-octadecadienoate 10-Nitro-9,12-octadecadienoic acid 12-Nitro-9,12-octadecadienoate 12-Nitro-9,12-octadecadienoic acid LNO2 9-Nitrolinoleic acid LNO2 CPD Nitrolinoleic acid 10-Nitro,9Z,12Z-octadecadienoate C18H31NO4 325.443 325.225308485 (9E,12Z)-10-nitrooctadeca-9,12-dienoic acid 9-hode 774603-04-2 CCCCC\C=C/C\C(=C/CCCCCCCC(O)=O)[N+]([O-])=O InChI=1S/C18H31NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h8,11,15H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+ LELVHAQTWXTCLY-XYWKCAQWSA-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 C-nitro compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Long-chain fatty acids Monocarboxylic acids and derivatives Nitro fatty acids Organic oxides Organic oxoazanium compounds Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Unsaturated fatty acids Aliphatic acyclic compound Allyl-type 1,3-dipolar organic compound C-nitro compound Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Long-chain fatty acid Monocarboxylic acid or derivatives Nitro fatty acid Octadecanoid Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Unsaturated fatty acid Aliphatic acyclic compounds Nitro fatty acids Nitro fatty acids lipid Solid logp 5.28 ALOGPS logs -5.35 ALOGPS logp 5.6 ChemAxon pka_strongest_acidic 4.99 ChemAxon iupac (9E,12Z)-10-nitrooctadeca-9,12-dienoic acid ChemAxon average_mass 325.443 ChemAxon mono_mass 325.225308485 ChemAxon smiles CCCCC\C=C/C\C(=C/CCCCCCCC(O)=O)[N+]([O-])=O ChemAxon formula C18H31NO4 ChemAxon inchi InChI=1S/C18H31NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h8,11,15H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+ ChemAxon inchikey LELVHAQTWXTCLY-XYWKCAQWSA-N ChemAxon polar_surface_area 83.12 ChemAxon refractivity 94.89 ChemAxon polarizability 38.04 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 4 ChemAxon donor_count 1 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::CMs 10453 Specdb::CMs 38845 Specdb::CMs 136438 Specdb::CMs 144172 Specdb::MsMs 289042 Specdb::MsMs 289043 Specdb::MsMs 289044 Specdb::MsMs 328357 Specdb::MsMs 328358 Specdb::MsMs 328359 Specdb::MsMs 2396943 Specdb::MsMs 2396944 Specdb::MsMs 2396945 Specdb::MsMs 2542280 Specdb::MsMs 2542281 Specdb::MsMs 2542282 4445433 LNA C13800 34125 5282259 FDB023611