1.0 2016-09-30 23:02:26 UTC 2020-04-22 15:11:37 UTC BMDB0002995 BMDB02995 12-Keto-tetrahydro-leukotriene B4 12-Keto-10,11,14,15-tetrahydro-LTB4 5S-Hydroxy-12-keto-6Z,8E-eicosadienoate 5S-Hydroxy-12-keto-6Z,8E-eicosadienoic acid C20H34O4 338.4816 338.245709576 (5S,6Z,8E)-5-hydroxy-12-oxoicosa-6,8-dienoic acid leukotriene B CCCCCCCCC(=O)CC\C=C\C=C/[C@@H](O)CCCC(O)=O InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,11,15,19,22H,2-6,9-10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,15-11-/t19-/m1/s1 RRTYEHFGQWNQKK-KIQAWMAPSA-N belongs to the class of organic compounds known as other hydroxyeicosapolyenoic acids. These are hydroxyeicosapolyenoic acids which do not belong to the Hydroxyeicosapentaenoic acids, the Hydroxyeicosatetraenoic acids, or the Hydroxyeicosatrienoic acids. Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Other hydroxyeicosapolyenoic acids Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Keto fatty acids Ketones 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 Hydroxyeicosapolyenoic acid Keto fatty acid Ketone Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Unsaturated fatty acid Aliphatic acyclic compounds Leukotrienes Solid logp 3.58 logp 4.96 ALOGPS logs -4.70 ALOGPS logp 4.9 ChemAxon pka_strongest_acidic 4.58 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac (5S,6Z,8E)-5-hydroxy-12-oxoicosa-6,8-dienoic acid ChemAxon average_mass 338.4816 ChemAxon mono_mass 338.245709576 ChemAxon smiles CCCCCCCCC(=O)CC\C=C\C=C/[C@@H](O)CCCC(O)=O ChemAxon formula C20H34O4 ChemAxon inchi InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h7-8,11,15,19,22H,2-6,9-10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,15-11-/t19-/m1/s1 ChemAxon inchikey RRTYEHFGQWNQKK-KIQAWMAPSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 99.88 ChemAxon polarizability 41.03 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 4 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::MsMs 301993 Specdb::MsMs 301994 Specdb::MsMs 301995 Specdb::MsMs 344611 Specdb::MsMs 344612 Specdb::MsMs 344613 Specdb::MsMs 2666854 Specdb::MsMs 2666855 Specdb::MsMs 2666856 Specdb::MsMs 3011549 Specdb::MsMs 3011550 Specdb::MsMs 3011551 Specdb::CMs 16259 Specdb::CMs 38509 Specdb::CMs 134452 Specdb::CMs 142186 C02165 FDB023093 4446246 5283122 15647