1.0 2016-09-30 23:10:21 UTC 2020-04-22 15:14:04 UTC BMDB0004694 BMDB04694 11,14,15-THETA (5Z,8Z,12E)-11,14,15-Trihydroxyeicosa-5,8,12-trienoic acid (5Z,8Z,12E)-11,14,15-Trihydroxyeicosatrienoic acid (5Z,8Z,12E)-11,14,15-Trihydroxyicosatrienoic acid 11,14,15-Trihydroxy-(5Z,8Z,12E)-eicosatrienoic acid 11,14,15-Trihydroxy-5Z,8Z,12E-eicosatrienoic acid 11,14,15-Trihydroxyicosatrienoic acid (5Z,8Z,12E)-11,14,15-Trihydroxyicosa-5,8,12-trienoic acid (5Z,8Z,12E)-11,14,15-Trihydroxyeicosa-5,8,12-trienoate (5Z,8Z,12E)-11,14,15-Trihydroxyeicosatrienoate (5Z,8Z,12E)-11,14,15-Trihydroxyicosatrienoate 11,14,15-Trihydroxy-(5Z,8Z,12E)-eicosatrienoate 11,14,15-Trihydroxy-5Z,8Z,12E-eicosatrienoate 11,14,15-Trihydroxyicosatrienoate (5Z,8Z,12E)-11,14,15-Trihydroxyicosa-5,8,12-trienoate 11,14,15-THET 11,14,15-Trihydroxyeicosa-5,8,12-trienoic acid 11,14,15-Trihydroxyeicosatetraenoic acid C20H34O5 354.481 354.240624198 (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid CCCCCC(O)C(O)\C=C\C(O)C\C=C/C\C=C/CCCC(O)=O InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+ YCFPVUKKIWMCJK-LTCHCNGXSA-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 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 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 Hydroxy/hydroperoxyeicosatrienoic acids Hydroxy/hydroperoxyeicosatrienoic acids leukotriene Solid logp 4.47 ALOGPS logs -3.82 ALOGPS logp 3.41 ChemAxon pka_strongest_acidic 4.82 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (5Z,8Z,12E)-11,14,15-trihydroxyicosa-5,8,12-trienoic acid ChemAxon average_mass 354.481 ChemAxon mono_mass 354.240624198 ChemAxon smiles CCCCCC(O)C(O)\C=C\C(O)C\C=C/C\C=C/CCCC(O)=O ChemAxon formula C20H34O5 ChemAxon inchi InChI=1S/C20H34O5/c1-2-3-9-13-18(22)19(23)16-15-17(21)12-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/b6-4-,10-7-,16-15+ ChemAxon inchikey YCFPVUKKIWMCJK-LTCHCNGXSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 103.23 ChemAxon polarizability 41.29 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 Arachidonic Acid Metabolism SMP0087220 Specdb::CMs 20196 Specdb::CMs 38795 Specdb::CMs 160253 Specdb::MsMs 310990 Specdb::MsMs 310991 Specdb::MsMs 310992 Specdb::MsMs 355867 Specdb::MsMs 355868 Specdb::MsMs 355869 Specdb::MsMs 2358051 Specdb::MsMs 2358052 Specdb::MsMs 2358053 Specdb::MsMs 2604419 Specdb::MsMs 2604420 Specdb::MsMs 2604421 10128354 11954059 34131 C14814 FDB023410