1.0 2016-09-30 23:10:26 UTC 2020-04-22 15:14:05 UTC BMDB0004702 BMDB04702 12,13-EpOME (9Z)-11-(3-Pentyloxiran-2-yl)undec-9-enoic acids (9Z)-12,13-Epoxyoctadecenoic acid 12(13)-EpOME 12,13-cis-Epoxyoctadecenoic acid 12,13-Epoxy-9(Z)-octadecenoic acid 12,13-Epoxy-cis-9-octadecenoic acid 12,13-Monoepoxy-cis-9-octadecenoic acid Acide vernolique cis-12,13-Ep, 9C-18:1 cis-12,13-Epoxy-9-octadecenoic acid Vernolic acids Vernolsaeure Vernolsaeuren (9Z)-12,13-Epoxyoctadecenoate 12,13-cis-Epoxyoctadecenoate 12,13-Epoxy-9(Z)-octadecenoate 12,13-Epoxy-cis-9-octadecenoate 12,13-Monoepoxy-cis-9-octadecenoate cis-12,13-Epoxy-9-octadecenoate (+/-)-12(13)-epoxy-9Z-octadecenoate (+/-)-12(13)-epoxy-9Z-octadecenoic acid (9Z)-11-(3-Pentyloxiran-2-yl)undec-9-enoate (9Z)-11-(3-Pentyloxiran-2-yl)undec-9-enoic acid 12,13-Epoxyoctadec-9(Z)-enoate 12,13-Epoxyoctadec-9(Z)-enoic acid Vernolic acid cis-12-Epoxyoctadeca-cis-9-enoate cis-12-Epoxyoctadeca-cis-9-enoic acid Vernoleate 12,13-EOA 12,13-Epoxy-9-octadecenoic acid Vernolate C18H32O3 296.4449 296.23514489 (9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid vernolic acid CCCCCC1OC1C\C=C/CCCCCCCC(O)=O InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8- CCPPLLJZDQAOHD-FLIBITNWSA-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 Other Octadecanoids epoxy fatty acid epoxyoctadecenoic acid long-chain fatty acid monounsaturated fatty acid Solid logp 6.37 ALOGPS logs -5.79 ALOGPS logp 5.48 ChemAxon pka_strongest_acidic 4.99 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid ChemAxon average_mass 296.4449 ChemAxon mono_mass 296.23514489 ChemAxon smiles CCCCCC1OC1C\C=C/CCCCCCCC(O)=O ChemAxon formula C18H32O3 ChemAxon inchi InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8- ChemAxon inchikey CCPPLLJZDQAOHD-FLIBITNWSA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 86.92 ChemAxon polarizability 37.2 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 11270 Specdb::CMs 38799 Specdb::CMs 136348 Specdb::CMs 144082 Specdb::MsMs 290905 Specdb::MsMs 290906 Specdb::MsMs 290907 Specdb::MsMs 330679 Specdb::MsMs 330680 Specdb::MsMs 330681 Specdb::MsMs 3050294 Specdb::MsMs 3050295 Specdb::MsMs 3050296 Specdb::MsMs 3120040 Specdb::MsMs 3120041 Specdb::MsMs 3120042 4512106 5356421 38299 C14826 FDB023414