1.0 2010-04-08 22:10:32 UTC 2019-11-26 03:07:58 UTC FDB013102 (9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid Isolated from the resistant cultivar of rice (Oryza sativa). (9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid is found in cereals and cereal products. C18H30O3 294.429 294.219494826 (9Z,12Z,14E)-16-hydroxyoctadeca-9,12,14-trienoic acid (9Z,12Z,14E)-16-hydroxyoctadeca-9,12,14-trienoic acid 81325-65-7 CCC(O)\C=C\C=C/C\C=C/CCCCCCCC(O)=O InChI=1S/C18H30O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5,9,11,13,15,17,19H,2,4,6-8,10,12,14,16H2,1H3,(H,20,21)/b5-3-,11-9-,15-13+ ILSZLGCGBGSHFR-CGLYFWTESA-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 Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Unsaturated fatty acids Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Hydroxy fatty acid Long-chain fatty acid Monocarboxylic acid or derivatives Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Unsaturated fatty acid logp 5.47 ALOGPS logs -4.82 ALOGPS solubility 4.45e-03 g/l ALOGPS logp 4.83 ChemAxon pka_strongest_acidic 4.99 ChemAxon pka_strongest_basic -1.7 ChemAxon iupac (9Z,12Z,14E)-16-hydroxyoctadeca-9,12,14-trienoic acid ChemAxon average_mass 294.429 ChemAxon mono_mass 294.219494826 ChemAxon smiles CCC(O)\C=C\C=C/C\C=C/CCCCCCCC(O)=O ChemAxon formula C18H30O3 ChemAxon inchi InChI=1S/C18H30O3/c1-2-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h3,5,9,11,13,15,17,19H,2,4,6-8,10,12,14,16H2,1H3,(H,20,21)/b5-3-,11-9-,15-13+ ChemAxon inchikey ILSZLGCGBGSHFR-CGLYFWTESA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 91.15 ChemAxon polarizability 35.92 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17752 Specdb::CMs 43942 Specdb::CMs 134507 Specdb::CMs 142241 Specdb::MsMs 86214 Specdb::MsMs 86215 Specdb::MsMs 86216 Specdb::MsMs 148467 Specdb::MsMs 148468 Specdb::MsMs 148469 Specdb::MsMs 2333528 Specdb::MsMs 2333529 Specdb::MsMs 2333530 Specdb::MsMs 2632109 Specdb::MsMs 2632110 Specdb::MsMs 2632111 HMDB34586 #<Reference:0x000055ce32867f08> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic