1.0 2020-04-03 05:16:56 UTC 2025-11-19 03:08:01 UTC FDB097407 12E, 14E-Octadecadienoic acid C55H96O6 853.367 852.720690811 (12E,14E)-octadeca-12,14-dienoic acid (12E,14E)-octadeca-12,14-dienoic acid [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30-31,36,39,52H,4-6,8-9,11-15,17-18,20-23,25,27-29,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,26-24-,31-30-,39-36-/t52-/m0/s1 KTDQXVPKYOJWOG-SUMWWSLLSA-N belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Lineolic acids and derivatives Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Long-chain fatty acid Monocarboxylic acid or derivatives Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid logp 7.11 ALOGPS logs -6.28 ALOGPS solubility 1.48e-04 g/l ALOGPS logp 6.42 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac (12E,14E)-octadeca-12,14-dienoic acid ChemAxon average_mass 853.367 ChemAxon mono_mass 852.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C55H96O6 ChemAxon inchi InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30-31,36,39,52H,4-6,8-9,11-15,17-18,20-23,25,27-29,32-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,26-24-,31-30-,39-36-/t52-/m0/s1 ChemAxon inchikey KTDQXVPKYOJWOG-SUMWWSLLSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 88.52 ChemAxon polarizability 37.26 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1333951 Specdb::MsMs 1333952 Specdb::MsMs 1333953 Specdb::MsMs 1448176 Specdb::MsMs 1448177 Specdb::MsMs 1448178 Milk (Cow) Type 2 specific 100.07375 314.0 0.29 uM