1.0 2016-09-30 23:10:25 UTC 2020-04-22 15:14:05 UTC BMDB0004701 BMDB04701 9,10-Epoxyoctadecenoic acid 9(10)-Epoxyoctadec-12Z-enoic acid 9,10-EOA 9,10-Epoxy-12Z-octadecenoic acid 9,10-Epoxyoctadec-12(Z)-enoic acid Coronaric acid 9(10)-Epoxyoctadec-12Z-enoate 9,10-Epoxy-12Z-octadecenoate 9,10-Epoxyoctadec-12(Z)-enoate Coronarate 9,10-Epoxyoctadecenoate (+/-)-9(10)-epoxy-12Z-octadecenoate (+/-)-9(10)-epoxy-12Z-octadecenoic acid 9(10)-EpOME 9,10-Epoxyoctadecenoic acid C18H32O3 296.4449 296.23514489 8-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}octanoic acid 9,10-epoxyoctadecenoic acid CCCCC\C=C/CC1OC1CCCCCCCC(O)=O InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7- FBUKMFOXMZRGRB-YFHOEESVSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids Carbonyl compounds Carboxylic acids Dialkyl ethers Epoxides Epoxy fatty acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Epoxy fatty acid Ether Heterocyclic fatty acid Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Aliphatic heteromonocyclic compounds Other Octadecanoids epoxyoctadecenoic acid Solid logp 6.35 ALOGPS logs -5.77 ALOGPS logp 5.48 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 8-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}octanoic acid ChemAxon average_mass 296.4449 ChemAxon mono_mass 296.23514489 ChemAxon smiles CCCCC\C=C/CC1OC1CCCCCCCC(O)=O ChemAxon formula C18H32O3 ChemAxon inchi InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7- ChemAxon inchikey FBUKMFOXMZRGRB-YFHOEESVSA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 86.92 ChemAxon polarizability 37.22 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::CMs 24474 Specdb::CMs 38798 Specdb::CMs 163934 Specdb::MsMs 320137 Specdb::MsMs 320138 Specdb::MsMs 320139 Specdb::MsMs 367456 Specdb::MsMs 367457 Specdb::MsMs 367458 Specdb::MsMs 2313995 Specdb::MsMs 2313996 Specdb::MsMs 2313997 Specdb::MsMs 2620817 Specdb::MsMs 2620818 Specdb::MsMs 2620819 4861048 6246154 C14825 34494 FDB112216