1.0 2016-09-30 22:52:59 UTC 2020-05-21 16:28:39 UTC BMDB0002232 BMDB02232 8,9-Epoxyeicosatrienoic acid (+/-)8,9-epetre (5Z,11Z,14Z)-8,9-Epoxyeicosa-5,11,14-trienoic acid (5Z,11Z,14Z)-8,9-Epoxyicosa-5,11,14-trienoic acid 8,9-Epoxy-5Z,11Z,14Z-eicosatrienoic acid 8,9-Epoxy-5Z,11Z,14Z-icosatrienoic acid 8,9-Epoxyicosatrienoic acid (5Z,11Z,14Z)-8,9-Epoxyeicosa-5,11,14-trienoate (5Z,11Z,14Z)-8,9-Epoxyicosa-5,11,14-trienoate 8,9-Epoxy-5Z,11Z,14Z-eicosatrienoate 8,9-Epoxy-5Z,11Z,14Z-icosatrienoate 8,9-Epoxyicosatrienoate 8,9-Epoxyeicosatrienoate 8,9-Eet 8,9-Epoxyeicosatrienoic acid, (2alpha(Z),3alpha(2Z,5Z))-isomer C20H32O3 320.4663 320.23514489 (5Z)-7-{3-[(2Z,5Z)-undeca-2,5-dien-1-yl]oxiran-2-yl}hept-5-enoic acid 8,9-epoxyeicosatrienoic acid 81246-85-7 CCCCC\C=C/C\C=C/CC1OC1C\C=C/CCCC(O)=O InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10- DBWQSCSXHFNTMO-TYAUOURKSA-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 6.25 ALOGPS logs -6.00 ALOGPS logp 5.65 ChemAxon pka_strongest_acidic 4.46 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (5Z)-7-{3-[(2Z,5Z)-undeca-2,5-dien-1-yl]oxiran-2-yl}hept-5-enoic acid ChemAxon average_mass 320.4663 ChemAxon mono_mass 320.23514489 ChemAxon smiles CCCCC\C=C/C\C=C/CC1OC1C\C=C/CCCC(O)=O ChemAxon formula C20H32O3 ChemAxon inchi InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10- ChemAxon inchikey DBWQSCSXHFNTMO-TYAUOURKSA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 98.36 ChemAxon polarizability 38.55 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 17489 Specdb::CMs 38333 Specdb::CMs 149844 Specdb::MsMs 304681 Specdb::MsMs 304682 Specdb::MsMs 304683 Specdb::MsMs 347953 Specdb::MsMs 347954 Specdb::MsMs 347955 Specdb::MsMs 2801977 Specdb::MsMs 2801978 Specdb::MsMs 2801979 Specdb::MsMs 2879942 Specdb::MsMs 2879943 Specdb::MsMs 2879944 4446324 FDB022920 5283203 34490 C14769 BMDBP00062 Cytochrome P450 2E1 O18963 CYP2E1 Enzyme BMDBP02908 Epoxide hydrolase 2, cytoplasmic Q17QK4 EPHX2 Enzyme