1.0 2016-10-03 18:01:42 UTC 2020-04-22 15:39:31 UTC BMDB0010224 BMDB10224 9-HOTE 9-Hydroxy-10,12,15(e,Z,Z) octadecatrienoate 9-Hydroxy-10,12,15(e,Z,Z) octadecatrienoic acid (9E,11E,15Z)-9-Hydroxyoctadeca-9,11,15-trienoate C18H30O3 294.429 294.219494826 (9E,11E,15Z)-9-hydroxyoctadeca-9,11,15-trienoic acid 9-hote CC\C=C/CC\C=C\C=C(\O)CCCCCCCC(O)=O InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,8,11,14,19H,2,5-7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,11-8+,17-14+ YUPHIKSLGBATJK-OBKPXJAFSA-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 Enols Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Enol Fatty acid Hydrocarbon derivative Hydroxy fatty acid Long-chain fatty acid Monocarboxylic acid or derivatives Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid Aliphatic acyclic compounds Solid logp 5.50 ALOGPS logs -4.75 ALOGPS logp 5.23 ChemAxon pka_strongest_acidic 4.65 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (9E,11E,15Z)-9-hydroxyoctadeca-9,11,15-trienoic acid ChemAxon average_mass 294.429 ChemAxon mono_mass 294.219494826 ChemAxon smiles CC\C=C/CC\C=C\C=C(\O)CCCCCCCC(O)=O ChemAxon formula C18H30O3 ChemAxon inchi InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,8,11,14,19H,2,5-7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,11-8+,17-14+ ChemAxon inchikey YUPHIKSLGBATJK-OBKPXJAFSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 91.68 ChemAxon polarizability 35.68 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 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 17736 Specdb::CMs 39437 Specdb::CMs 155587 Specdb::MsMs 305269 Specdb::MsMs 305270 Specdb::MsMs 305271 Specdb::MsMs 348649 Specdb::MsMs 348650 Specdb::MsMs 348651 Specdb::MsMs 2444662 Specdb::MsMs 2444663 Specdb::MsMs 2444664 Specdb::MsMs 2521394 Specdb::MsMs 2521395 Specdb::MsMs 2521396 30776588 53480359 88438 FDB027377