1.0 2016-09-30 23:27:41 UTC 2020-04-22 15:19:06 UTC BMDB0006940 BMDB06940 9(S)-HPODE (10E,12Z)-9-Hydroperoxyoctadeca-10,12-dienoate C18H32O4 312.4443 312.230059512 (10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid 9(S)-hpode CCCCC\C=C/C=C/C(CCCCCCCC(O)=O)OO InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+ JGUNZIWGNMQSBM-ZJHFMPGASA-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 Alkyl hydroperoxides Allylic hydroperoxides Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroperoxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Peroxols Unsaturated fatty acids Aliphatic acyclic compound Alkyl hydroperoxide Allylic hydroperoxide Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Hydroperoxide Hydroperoxy fatty acid Long-chain fatty acid Monocarboxylic acid or derivatives Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Peroxol Unsaturated fatty acid Aliphatic acyclic compounds Solid logp 5.74 ALOGPS logs -4.92 ALOGPS logp 5.64 ChemAxon pka_strongest_acidic 4.68 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid ChemAxon average_mass 312.4443 ChemAxon mono_mass 312.230059512 ChemAxon smiles CCCCC\C=C/C=C/C(CCCCCCCC(O)=O)OO ChemAxon formula C18H32O4 ChemAxon inchi InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+ ChemAxon inchikey JGUNZIWGNMQSBM-ZJHFMPGASA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 91.38 ChemAxon polarizability 37.49 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 4 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 315412 Specdb::MsMs 315413 Specdb::MsMs 315414 Specdb::MsMs 361381 Specdb::MsMs 361382 Specdb::MsMs 361383 Specdb::MsMs 2406260 Specdb::MsMs 2406261 Specdb::MsMs 2406262 Specdb::MsMs 2529693 Specdb::MsMs 2529694 Specdb::MsMs 2529695 Specdb::CMs 22247 Specdb::CMs 39144 Specdb::CMs 150197 4944227 C14827 6439847