1.0 2011-09-21 01:23:10 UTC 2015-07-21 06:59:05 UTC FDB027355 alpha-12(13)-EpODE a-12(13)-EpODE is an oxygenated lipid found in human blood. This fatty acyl belongs to the octadecanoid class. (Lipid Maps) [HMDB] (Z)-11-[3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-9-enoate (Z)-11-[3-[(Z)-pent-2-enyl]oxiran-2-yl]undec-9-enoic acid 12(13)-epoxy-9Z,15Z-octadecadienoate 12(13)-epoxy-9Z,15Z-octadecadienoic acid alpha-12(13)-EpODE C18H30O3 294.429 294.219494826 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoic acid 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoic acid CCC=CCC1OC1CC=CCCCCCCCC(O)=O InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20) BKKGUKSHPCTUGE-UHFFFAOYSA-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 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 Solid logp 5.78 ALOGPS logs -5.52 ALOGPS solubility 8.82e-04 g/l ALOGPS logp 5.12 ChemAxon pka_strongest_acidic 4.99 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 11-[3-(pent-2-en-1-yl)oxiran-2-yl]undec-9-enoic acid ChemAxon average_mass 294.429 ChemAxon mono_mass 294.219494826 ChemAxon smiles CCC=CCC1OC1CC=CCCCCCCCC(O)=O ChemAxon formula C18H30O3 ChemAxon inchi InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20) ChemAxon inchikey BKKGUKSHPCTUGE-UHFFFAOYSA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 88.04 ChemAxon polarizability 36.24 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB10200