1.0 2016-09-30 22:46:58 UTC 2020-05-21 16:27:00 UTC BMDB0001509 BMDB01509 20-Hydroxy-leukotriene B4 (6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyeicosa-6,8,10,14-tetraenoate (6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyicosa-6,8,10,14-tetraenoate 20-Hydroxy-LTB4 20-OH-Leukotriene b4 20-OH-LTB4 (6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyeicosa-6,8,10,14-tetraenoic acid (6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyicosa-6,8,10,14-tetraenoic acid (5S,12R)-5,12,20-Trihydroxy-(6Z,8E,10E,14Z)-eicosatetraenoate (5S,12R)-5,12,20-Trihydroxy-(6Z,8E,10E,14Z)-eicosatetraenoic acid (5S,6Z,8E,10E,12R,14Z)-5,12,20-Trihydroxyicosa-6,8,10,14-tetraenoate (5S,6Z,8E,10E,12R,14Z)-5,12,20-Trihydroxyicosa-6,8,10,14-tetraenoic acid 20-Hydroxy LTB4 20-Hydroxyleukotriene b4 20-OH-5S,12S-Dihydroxy-6,10-trans-8,14-cis-eicosatetraenoate 20-OH-5S,12S-Dihydroxy-6,10-trans-8,14-cis-eicosatetraenoic acid 5,12,20-THETE 5,12,20-TriHETE 5S,12R,20-Trihydroxy-6Z,8E,10E,14Z-eicosatetraenoate 5S,12R,20-Trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid Omega-hydroxy-LTB4 W-Hydroxy-LTB4 [S-[R*,s*-(e,Z,e,Z)]]-5,12,20-trihydroxy-6,8,10,14-eicosatetraenoate [S-[R*,s*-(e,Z,e,Z)]]-5,12,20-trihydroxy-6,8,10,14-eicosatetraenoic acid 20-Hydroxy-leukotriene b 5,12,20-Trihydroxy-6,8,10,14-eicosatetraenoic acid 5,12,20-Trihydroxy-6,8,10,14-eicosatetraenoic acid, (S-(r*,s*-(e,Z,e,Z)))-isomer C20H32O5 352.4651 352.224974134 (5S,6Z,8E,10E,12R,14Z)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoic acid 20-hydroxy-LTB4 79516-82-8 OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1 PTJFJXLGRSTECQ-PSPARDEHSA-N belongs to the class of organic compounds known as leukotrienes. These are eicosanoids containing a hydroxyl group attached to the aliphatic chain of an arachidonic acid. Leukotrienes have four double bonds, three (and only three) of which are conjugated. Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Leukotrienes Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Hydroxyeicosatetraenoic acids Long-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Polyols Primary alcohols Secondary alcohols Unsaturated fatty acids Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Hydroxy fatty acid Hydroxyeicosatetraenoic acid Leukotriene Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Primary alcohol Secondary alcohol Unsaturated fatty acid Aliphatic acyclic compounds Leukotrienes Leukotrienes hydroxy monocarboxylic acid Liquid logp 4.22 ALOGPS logs -4.03 ALOGPS logp 2.69 ChemAxon pka_strongest_acidic 4.65 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac (5S,6Z,8E,10E,12R,14Z)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoic acid ChemAxon average_mass 352.4651 ChemAxon mono_mass 352.224974134 ChemAxon smiles OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O ChemAxon formula C20H32O5 ChemAxon inchi InChI=1S/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1 ChemAxon inchikey PTJFJXLGRSTECQ-PSPARDEHSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 104.91 ChemAxon polarizability 40.46 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 22257 Specdb::CMs 38101 Specdb::CMs 134553 Specdb::CMs 142287 Specdb::MsMs 60174 Specdb::MsMs 60175 Specdb::MsMs 60176 Specdb::MsMs 116469 Specdb::MsMs 116470 Specdb::MsMs 116471 Specdb::MsMs 435503 Specdb::MsMs 435504 Specdb::MsMs 435505 Specdb::MsMs 435506 Specdb::MsMs 435507 Specdb::MsMs 435508 Specdb::MsMs 435509 Specdb::MsMs 435510 Specdb::MsMs 435511 Specdb::MsMs 2426896 Specdb::MsMs 2426897 Specdb::MsMs 2426898 Specdb::MsMs 2511837 Specdb::MsMs 2511838 Specdb::MsMs 2511839 FDB022663 4444320 C04853 5280745 15646 6287 Zamboni, Robert; Rokach, Joshua. Stereospecific synthesis of two metabolites of LTB4. Tetrahedron Letters (1982), 23(46), 4751-4. BMDBP00016 Cytochrome P450 3A28 P79102 CYP3A28 Enzyme