1.0 2016-10-03 18:01:15 UTC 2020-04-22 15:39:22 UTC BMDB0010170 BMDB10170 11,12,15-TriHETRE 11,12,15-Trihydroxy-5Z,8Z,11Z-eicosatrienoate 11,12,15-Trihydroxy-5Z,8Z,11Z-eicosatrienoic acid C20H34O5 354.481 354.240624198 (8E,11Z,13E)-11,12,15-trihydroxyicosa-8,11,13-trienoic acid (8E,11Z,13E)-11,12,15-trihydroxyicosa-8,11,13-trienoic acid CCCCCC(O)\C=C\C(\O)=C(\O)C\C=C\CCCCCCC(O)=O InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h7,10,15-17,21-23H,2-6,8-9,11-14H2,1H3,(H,24,25)/b10-7+,16-15+,19-18- PBCZCSXKHMNACJ-RWEAINGASA-N belongs to the class of organic compounds known as hydroxyeicosatrienoic acids. These are eicosanoic acids with an attached hydroxyl group and three CC double bonds. Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Hydroxyeicosatrienoic acids Carbonyl compounds Carboxylic acids Enediols Hydrocarbon derivatives Hydroxy fatty acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Polyols Secondary alcohols Unsaturated fatty acids Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Enediol Fatty acid Hydrocarbon derivative Hydroxy fatty acid Hydroxyeicosatrienoic acid Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Secondary alcohol Unsaturated fatty acid Aliphatic acyclic compounds Solid logp 4.16 ALOGPS logs -4.09 ALOGPS logp 4.22 ChemAxon pka_strongest_acidic 4.89 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (8E,11Z,13E)-11,12,15-trihydroxyicosa-8,11,13-trienoic acid ChemAxon average_mass 354.481 ChemAxon mono_mass 354.240624198 ChemAxon smiles CCCCCC(O)\C=C\C(\O)=C(\O)C\C=C\CCCCCCC(O)=O ChemAxon formula C20H34O5 ChemAxon inchi InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h7,10,15-17,21-23H,2-6,8-9,11-14H2,1H3,(H,24,25)/b10-7+,16-15+,19-18- ChemAxon inchikey PBCZCSXKHMNACJ-RWEAINGASA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 104.29 ChemAxon polarizability 41.7 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 5 ChemAxon donor_count 4 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 15764 Specdb::CMs 39413 Specdb::CMs 160044 Specdb::MsMs 300943 Specdb::MsMs 300944 Specdb::MsMs 300945 Specdb::MsMs 343339 Specdb::MsMs 343340 Specdb::MsMs 343341 Specdb::MsMs 2391505 Specdb::MsMs 2391506 Specdb::MsMs 2391507 Specdb::MsMs 2570705 Specdb::MsMs 2570706 Specdb::MsMs 2570707 FDB027353 35031961 53480356