1.0 2016-10-03 18:12:56 UTC 2020-04-22 15:42:43 UTC BMDB0011108 BMDB11108 17-Hydroxylinolenic acid (9Z,12Z,15Z)-17-Hydroxyoctadecatri-9,12,15-enoic acid (9Z,12Z,15Z)-17-Hydroxyoctadecatri-9,12,15-enoate 17-Hydroxylinolenate (9Z,12Z,15Z)-17-Hydroxyoctadeca-9,12,15-trienoate C18H30O3 294.429 294.219494826 (9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid 17-hydroxylinolenic acid CC(O)\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9,13,15,17,19H,4-6,8,10-12,14,16H2,1H3,(H,20,21)/b3-2-,9-7-,15-13- PSQSSLVXOIJSMX-XAFOFORCSA-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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Lineolic acids and derivatives 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 Aliphatic acyclic compounds Other Octadecanoids lipid Solid logp 5.47 ALOGPS logs -4.89 ALOGPS logp 4.75 ChemAxon pka_strongest_acidic 4.99 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac (9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoic acid ChemAxon average_mass 294.429 ChemAxon mono_mass 294.219494826 ChemAxon smiles CC(O)\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O ChemAxon formula C18H30O3 ChemAxon inchi InChI=1S/C18H30O3/c1-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-3,7,9,13,15,17,19H,4-6,8,10-12,14,16H2,1H3,(H,20,21)/b3-2-,9-7-,15-13- ChemAxon inchikey PSQSSLVXOIJSMX-XAFOFORCSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 91.23 ChemAxon polarizability 35.85 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 10110 Specdb::CMs 39547 Specdb::CMs 147650 Specdb::MsMs 288337 Specdb::MsMs 288338 Specdb::MsMs 288339 Specdb::MsMs 327418 Specdb::MsMs 327419 Specdb::MsMs 327420 Specdb::MsMs 2352502 Specdb::MsMs 2352503 Specdb::MsMs 2352504 Specdb::MsMs 2583764 Specdb::MsMs 2583765 Specdb::MsMs 2583766 C16346 FDB027891 8884298 10708957 80463