1.0 2010-04-08 22:09:13 UTC 2019-11-26 03:03:55 UTC FDB010626 4,8,12,15-Octadecatetraenoic acid Isolated from sardine oil. 4,8,12,15-Octadecatetraenoic acid is found in fishes and italian sweet red pepper. C18H28O2 276.4137 276.20893014 (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid 67329-10-6 CC\C=C/C\C=C/CC\C=C\CC\C=C\CCC(O)=O InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,10-11,14-15H,2,5,8-9,12-13,16-17H2,1H3,(H,19,20)/b4-3-,7-6-,11-10+,15-14+ SIVLURJESSFFDP-FLVFHSTKSA-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 6.23 ALOGPS logs -5.77 ALOGPS solubility 4.68e-04 g/l ALOGPS logp 5.7 ChemAxon pka_strongest_acidic 4.82 ChemAxon iupac (4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid ChemAxon average_mass 276.4137 ChemAxon mono_mass 276.20893014 ChemAxon smiles CC\C=C/C\C=C/CC\C=C\CC\C=C\CCC(O)=O ChemAxon formula C18H28O2 ChemAxon inchi InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,10-11,14-15H,2,5,8-9,12-13,16-17H2,1H3,(H,19,20)/b4-3-,7-6-,11-10+,15-14+ ChemAxon inchikey SIVLURJESSFFDP-FLVFHSTKSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 90.75 ChemAxon polarizability 34.01 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20649 Specdb::CMs 42907 Specdb::CMs 172294 Specdb::MsMs 50907 Specdb::MsMs 50908 Specdb::MsMs 50909 Specdb::MsMs 137268 Specdb::MsMs 137269 Specdb::MsMs 137270 Specdb::MsMs 2836200 Specdb::MsMs 2836201 Specdb::MsMs 2836202 Specdb::MsMs 2872151 Specdb::MsMs 2872152 Specdb::MsMs 2872153 HMDB32672 #<Reference:0x000055ce32564978> Fishes Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 0.0 0.0 0.0 mg/100 g