1.0 2016-10-03 18:01:26 UTC 2020-04-22 15:39:26 UTC BMDB0010208 BMDB10208 15,16-DiHODE (+/-)-15,16-dihydroxy-9Z,12Z-octadecadienoate (+/-)-15,16-dihydroxy-9Z,12Z-octadecadienoic acid (9Z,12Z)-15,16-Dihydroxyoctadeca-9,12-dienoate (9Z,12Z)-15,16-Dihydroxyoctadeca-9,12-dienoic acid a-15,16-DiHODE alpha-15,16-DiHODE Α-15,16-dihode C18H32O4 312.4443 312.230059512 (9Z,12Z)-15,16-dihydroxyoctadeca-9,12-dienoic acid (9Z,12Z)-15,16-dihydroxyoctadeca-9,12-dienoic acid CCC(O)C(O)C\C=C/C\C=C/CCCCCCCC(O)=O InChI=1S/C18H32O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h4,6,10,12,16-17,19-20H,2-3,5,7-9,11,13-15H2,1H3,(H,21,22)/b6-4-,12-10- LKLLJYJTYPVCID-OHPMOLHNSA-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 1,2-diols Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Unsaturated fatty acids 1,2-diol 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 5.19 ALOGPS logs -3.99 ALOGPS logp 3.96 ChemAxon pka_strongest_acidic 4.99 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (9Z,12Z)-15,16-dihydroxyoctadeca-9,12-dienoic acid ChemAxon average_mass 312.4443 ChemAxon mono_mass 312.230059512 ChemAxon smiles CCC(O)C(O)C\C=C/C\C=C/CCCCCCCC(O)=O ChemAxon formula C18H32O4 ChemAxon inchi InChI=1S/C18H32O4/c1-2-16(19)17(20)14-12-10-8-6-4-3-5-7-9-11-13-15-18(21)22/h4,6,10,12,16-17,19-20H,2-3,5,7-9,11,13-15H2,1H3,(H,21,22)/b6-4-,12-10- ChemAxon inchikey LKLLJYJTYPVCID-OHPMOLHNSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 91.55 ChemAxon polarizability 36.72 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 20361 Specdb::CMs 39423 Specdb::CMs 131185 Specdb::CMs 138919 Specdb::MsMs 311356 Specdb::MsMs 311357 Specdb::MsMs 311358 Specdb::MsMs 356332 Specdb::MsMs 356333 Specdb::MsMs 356334 Specdb::MsMs 2453761 Specdb::MsMs 2453762 Specdb::MsMs 2453763 Specdb::MsMs 2485218 Specdb::MsMs 2485219 Specdb::MsMs 2485220 17220751 88465 16061068 FDB027363