1.0 2010-04-08 22:04:48 UTC 2019-11-26 02:55:44 UTC FDB001005 (Z)-15-Oxo-11-eicosenoic acid Isolated from wheat flour infested with the beetle Oryzaephilus surinamensis. (Z)-15-Oxo-11-eicosenoic acid is found in cereals and cereal products. C20H36O3 324.498 324.266445018 (11E)-15-oxoicos-11-enoic acid (11E)-15-oxoicos-11-enoic acid 182145-55-7 CCCCCC(=O)CC\C=C\CCCCCCCCCC(O)=O InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11H,2-8,10,12-18H2,1H3,(H,22,23)/b11-9+ BMSUKKKAAVHUEW-PKNBQFBNSA-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 acyclic compounds Carboxylic acids Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Ketone Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid logp 6.65 ALOGPS logs -5.82 ALOGPS solubility 4.96e-04 g/l ALOGPS logp 6.49 ChemAxon pka_strongest_acidic 4.95 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac (11E)-15-oxoicos-11-enoic acid ChemAxon average_mass 324.498 ChemAxon mono_mass 324.266445018 ChemAxon smiles CCCCCC(=O)CC\C=C\CCCCCCCCCC(O)=O ChemAxon formula C20H36O3 ChemAxon inchi InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11H,2-8,10,12-18H2,1H3,(H,22,23)/b11-9+ ChemAxon inchikey BMSUKKKAAVHUEW-PKNBQFBNSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 97.25 ChemAxon polarizability 41.67 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25840 Specdb::CMs 41556 Specdb::CMs 173498 Specdb::MsMs 103974 Specdb::MsMs 103975 Specdb::MsMs 103976 Specdb::MsMs 170151 Specdb::MsMs 170152 Specdb::MsMs 170153 Specdb::MsMs 2702799 Specdb::MsMs 2702800 Specdb::MsMs 2702801 Specdb::MsMs 3002509 Specdb::MsMs 3002510 Specdb::MsMs 3002511 HMDB29797 #<Reference:0x000055ce31a6d7b8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic