1.0 2010-04-08 22:05:39 UTC 2019-11-26 02:58:29 UTC FDB003104 (9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid obtained from Chrysobalanus icaco seed oil. (9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid is found in fruits and italian sweet red pepper. C18H26O3 290.3972 290.188194698 (9E,11Z,13E,15Z)-4-oxooctadeca-9,11,13,15-tetraenoic acid (9E,11Z,13E,15Z)-4-oxooctadeca-9,11,13,15-tetraenoic acid 17699-21-7 CC\C=C/C=C/C=C\C=C\CCCCC(=O)CCC(O)=O InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)/b4-3-,6-5+,8-7-,10-9+ ZYOSGENSARGRME-WYVWLRFESA-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 Carboxylic acids Gamma-keto acids and derivatives Hydrocarbon derivatives Keto fatty acids Ketones Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Gamma-keto acid Hydrocarbon derivative Keto acid Keto fatty acid Ketone Long-chain fatty acid Monocarboxylic acid or derivatives Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid logp 5.03 ALOGPS logs -4.89 ALOGPS solubility 3.71e-03 g/l ALOGPS logp 4.52 ChemAxon pka_strongest_acidic 4.57 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac (9E,11Z,13E,15Z)-4-oxooctadeca-9,11,13,15-tetraenoic acid ChemAxon average_mass 290.3972 ChemAxon mono_mass 290.188194698 ChemAxon smiles CC\C=C/C=C/C=C\C=C\CCCCC(=O)CCC(O)=O ChemAxon formula C18H26O3 ChemAxon inchi InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)/b4-3-,6-5+,8-7-,10-9+ ChemAxon inchikey ZYOSGENSARGRME-WYVWLRFESA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 91.39 ChemAxon polarizability 34.9 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20925 Specdb::CMs 42354 Specdb::CMs 156078 Specdb::MsMs 90648 Specdb::MsMs 90649 Specdb::MsMs 90650 Specdb::MsMs 153846 Specdb::MsMs 153847 Specdb::MsMs 153848 Specdb::MsMs 2420817 Specdb::MsMs 2420818 Specdb::MsMs 2420819 Specdb::MsMs 2544469 Specdb::MsMs 2544470 Specdb::MsMs 2544471 HMDB31098 #<Reference:0x000055ce2eef68f0> Fruits Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 0.0 0.0 0.0 mg/100 g