1.0 2011-09-21 01:58:15 UTC 2015-07-21 06:59:46 UTC FDB029600 12(13)Ep-9-KODE trans-12,13-epoxy-11-oxo-trans-9-octadecenoic acid is a novel product from 13-L (S)-hydroperoxy-cis-9,trans-11-octadecadienoic acid under degradation of linoleic acid hydroperoxides by a cysteine . FeCl3 catalyst as a model for similar biochemical reactions. III. [HMDB] trans-12,13-epoxy-11-oxo-trans-9-octadecenoate trans-12,13-epoxy-11-oxo-trans-9-octadecenoic acid C18H30O4 310.4284 310.214409448 (10E)-9-oxo-11-(3-pentyloxiran-2-yl)undec-10-enoic acid (10E)-9-oxo-11-(3-pentyloxiran-2-yl)undec-10-enoic acid CCCCCC1OC1\C=C\C(=O)CCCCCCCC(O)=O InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+ RCMABBHQYMBYKV-BUHFOSPRSA-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. Long-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic heteromonocyclic compounds Acryloyl compounds Carboxylic acids Dialkyl ethers Enones Epoxides Epoxy fatty acids Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Unsaturated fatty acids Acryloyl-group Aliphatic heteromonocyclic compound Alpha,beta-unsaturated ketone Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Enone Epoxy fatty acid Ether Heterocyclic fatty acid Hydrocarbon derivative Ketone Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Unsaturated fatty acid Other Octadecanoids Solid logp 4.37 ALOGPS logs -4.82 ALOGPS solubility 4.65e-03 g/l ALOGPS logp 4.82 ChemAxon pka_strongest_acidic 4.61 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (10E)-9-oxo-11-(3-pentyloxiran-2-yl)undec-10-enoic acid ChemAxon average_mass 310.4284 ChemAxon mono_mass 310.214409448 ChemAxon smiles CCCCCC1OC1\C=C\C(=O)CCCCCCCC(O)=O ChemAxon formula C18H30O4 ChemAxon inchi InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+ ChemAxon inchikey RCMABBHQYMBYKV-BUHFOSPRSA-N ChemAxon polar_surface_area 66.9 ChemAxon refractivity 87.39 ChemAxon polarizability 37.15 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10625 Specdb::CMs 40134 Specdb::CMs 134383 Specdb::CMs 142117 Specdb::MsMs 289414 Specdb::MsMs 289415 Specdb::MsMs 289416 Specdb::MsMs 328828 Specdb::MsMs 328829 Specdb::MsMs 328830 Specdb::MsMs 2814898 Specdb::MsMs 2814899 Specdb::MsMs 2814900 Specdb::MsMs 2891364 Specdb::MsMs 2891365 Specdb::MsMs 2891366 HMDB13623 #<Reference:0x000055ce31eb74e0>