1.0 2016-09-30 23:08:58 UTC 2020-05-21 16:28:39 UTC BMDB0004264 BMDB04264 14,15-epoxy-5,8,11-eicosatrienoic acid (+/-)14,15-epetre (5Z,8Z,11Z)-14,15-Epoxyeicosa-5.8.11-trienoic acid (5Z,8Z,11Z)-14,15-Epoxyicosa-5.8.11-trienoic acid 14(15)-EpETrE 14,15-EpETrE 14,15-Epoxy-5Z,8Z,11Z-eicosatrienoic acid 14,15-Epoxy-5Z,8Z,11Z-icosatrienoic acid all-cis-14,15-Epoxyeicosa-5,8,11-trienoic acid (5Z,8Z,11Z)-14,15-Epoxyeicosa-5.8.11-trienoate (5Z,8Z,11Z)-14,15-Epoxyicosa-5.8.11-trienoate 14,15-Epoxy-5Z,8Z,11Z-eicosatrienoate 14,15-Epoxy-5Z,8Z,11Z-icosatrienoate all-cis-14,15-Epoxyeicosa-5,8,11-trienoate 14,15-Epoxy-5,8,11-eicosatrienoate 14(15)-EpETrE-ea 14,15-EET 14,15-Epoxy-5,8,11-eicosatrienoic acid, (2alpha(5Z,8Z,11Z),3alpha)-isomer 14,15-Epoxyeicosatrienoic acid 14,15-Oxido-5,8,11-eicosatrienoic acid C20H32O3 320.4663 320.23514489 (5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid 14,15-epoxyeicosatrienoic acid 81276-03-1 CCCCCC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10- JBSCUHKPLGKXKH-ILYOTBPNSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Long-chain fatty acids Carbonyl compounds Carboxylic acids Dialkyl ethers Epoxides Epoxy fatty acids Hydrocarbon derivatives 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 Heterocyclic fatty acid Hydrocarbon derivative Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Unsaturated fatty acid Aliphatic heteromonocyclic compounds EET Epoxyeicosatrienoic acids Hydroxy/hydroperoxyeicosatrienoic acids Solid logp 6.23 ALOGPS logs -6.00 ALOGPS logp 5.65 ChemAxon pka_strongest_acidic 4.82 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid ChemAxon average_mass 320.4663 ChemAxon mono_mass 320.23514489 ChemAxon smiles CCCCCC1OC1C\C=C/C\C=C/C\C=C/CCCC(O)=O ChemAxon formula C20H32O3 ChemAxon inchi InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10- ChemAxon inchikey JBSCUHKPLGKXKH-ILYOTBPNSA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 98.36 ChemAxon polarizability 38.48 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 Arachidonic Acid Metabolism SMP0087220 Specdb::CMs 15942 Specdb::CMs 38747 Specdb::CMs 154867 Specdb::MsMs 301300 Specdb::MsMs 301301 Specdb::MsMs 301302 Specdb::MsMs 343786 Specdb::MsMs 343787 Specdb::MsMs 343788 Specdb::MsMs 2666500 Specdb::MsMs 2666501 Specdb::MsMs 2666502 Specdb::MsMs 3012833 Specdb::MsMs 3012834 Specdb::MsMs 3012835 FDB023356 4446326 5283205 C14771 34157 BMDBP00062 Cytochrome P450 2E1 O18963 CYP2E1 Enzyme BMDBP02908 Epoxide hydrolase 2, cytoplasmic Q17QK4 EPHX2 Enzyme