1.0 2016-10-03 18:06:02 UTC 2020-04-22 15:40:36 UTC BMDB0010409 BMDB10409 11,12-EpETrE (+/-)11(12)-eet (+/-)11(12)-epetre (+/-)11,12-epetre (5Z,8Z,14Z)-11,12-Epoxyeicosa-5,8,14-trienoate (5Z,8Z,14Z)-11,12-Epoxyeicosa-5,8,14-trienoic acid (5Z,8Z,14Z)-11,12-Epoxyicosa-5,8,14-trienoate (5Z,8Z,14Z)-11,12-Epoxyicosa-5,8,14-trienoic acid 11,12-Eet 11,12-Epoxy-5Z,8Z,14Z-eicosatrienoate 11,12-Epoxy-5Z,8Z,14Z-eicosatrienoic acid 11,12-Epoxy-5,8,14-eicosatrienoic acid 11,12-Epoxyeicosatrienoic acid 11,12-Epoxy-5,8,14-eicosatrienoic acid, (2alpha(5Z,8Z),3alpha(Z))-isomer 11,12-Oxido-5,8,14-eicosatrienoic acid 11,12-Epoxyeicosatrienoate 11(12)-Epoxy-5Z,8Z,14Z-eicosatrienoic acid C20H32O3 320.4663 320.23514489 (5E,8Z)-10-{3-[(2E)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoic acid (5E,8Z)-10-{3-[(2E)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoic acid CCCCC\C=C\CC1OC1C\C=C/C\C=C\CCCC(O)=O InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6+,12-9+,13-10- DXOYQVHGIODESM-IQCOFVSKSA-N belongs to the class of organic compounds known as hepoxilins. These are eicosanoids containing an oxirane group attached to the fatty acyl chain. Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Hepoxilins Carbonyl compounds Carboxylic acids Dialkyl ethers Epoxides Epoxy fatty acids Hydrocarbon derivatives Medium-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Unsaturated fatty acids Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Epoxy fatty acid Ether Fatty acid Hepoxilin Heterocyclic fatty acid Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Unsaturated fatty acid Aliphatic heteromonocyclic compounds Solid logp 6.25 ALOGPS logs -5.99 ALOGPS logp 5.65 ChemAxon pka_strongest_acidic 4.82 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (5E,8Z)-10-{3-[(2E)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoic acid ChemAxon average_mass 320.4663 ChemAxon mono_mass 320.23514489 ChemAxon smiles CCCCC\C=C\CC1OC1C\C=C/C\C=C\CCCC(O)=O ChemAxon formula C20H32O3 ChemAxon inchi InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6+,12-9+,13-10- ChemAxon inchikey DXOYQVHGIODESM-IQCOFVSKSA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 98.36 ChemAxon polarizability 38.9 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 309010 Specdb::MsMs 309011 Specdb::MsMs 309012 Specdb::MsMs 353329 Specdb::MsMs 353330 Specdb::MsMs 353331 Specdb::CMs 19350 Specdb::CMs 39518 FDB027560 53480479