1.0 2016-09-30 23:15:21 UTC 2020-05-21 16:27:00 UTC BMDB0005087 BMDB05087 6-trans-Leukotriene B4 (5S,6E,8E,10E,12R,14Z)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoic acid (6E,5S,12R)-Leukotriene b4 5(S),12(R)-Dihydroxy-6,8,10,14-(trans,trans,trans,cis)-eicosatetraenoic acid 5S,12R-Dihydroxy-6E,8E,10E,14Z-eicosatetraenoic acid 5S,12R-Dihydroxy-6E,8E,10E,14Z-icosatetraenoic acid 6-trans-LTB4 Delta(6)-trans-Leukotriene b4 Delta(6)-trans-LT b4 (5S,6E,8E,10E,12R,14Z)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate 5(S),12(R)-Dihydroxy-6,8,10,14-(trans,trans,trans,cis)-eicosatetraenoate 5S,12R-Dihydroxy-6E,8E,10E,14Z-eicosatetraenoate 5S,12R-Dihydroxy-6E,8E,10E,14Z-icosatetraenoate Δ(6)-trans-leukotriene b4 Δ(6)-trans-LT b4 D6-trans-Leukotriene b4 D6-trans-LTB4 [S-[R*,s*-(e,e,e,Z)]]-5,12-dihydroxy-6,8,10,14-eicosatetraenoate [S-[R*,s*-(e,e,e,Z)]]-5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid delta6-trans-LTB4 delta6-trans-Leukotriene b4 Δ6-trans-LTB4 Δ6-trans-leukotriene b4 5,12-HETE 5,12-DiHETE Leukotriene b-4 Leukotriene b4 5,12 HETE 5,12 DiHETE b-4, Leukotriene Leukotrienes b LTB4 Leukotriene b Leukotriene b 4 6-trans-Leukotriene B4 C20H32O4 336.4657 336.230059512 (5S,6E,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid 6-trans-LTB4 71652-82-9 CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C\[C@@H](O)CCCC(O)=O InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-,19-/m1/s1 VNYSSYRCGWBHLG-UKNWISKWSA-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 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 Secondary alcohol Unsaturated fatty acid Aliphatic acyclic compounds Leukotrienes dihydroxy monocarboxylic acid hydroxy fatty acid leukotriene long-chain fatty acid polyunsaturated fatty acid Solid logp 3.58 logp 5.46 ALOGPS logs -4.34 ALOGPS logp 4.13 ChemAxon pka_strongest_acidic 4.65 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (5S,6E,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid ChemAxon average_mass 336.4657 ChemAxon mono_mass 336.230059512 ChemAxon smiles CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C\[C@@H](O)CCCC(O)=O ChemAxon formula C20H32O4 ChemAxon inchi InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11+/t18-,19-/m1/s1 ChemAxon inchikey VNYSSYRCGWBHLG-UKNWISKWSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 102.98 ChemAxon polarizability 40.59 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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 310111 Specdb::MsMs 310112 Specdb::MsMs 310113 Specdb::MsMs 354703 Specdb::MsMs 354704 Specdb::MsMs 354705 Specdb::MsMs 1218205 Specdb::MsMs 1218206 Specdb::MsMs 1218207 Specdb::MsMs 1218208 Specdb::MsMs 1218209 Specdb::MsMs 1218210 Specdb::MsMs 1218211 Specdb::MsMs 1218212 Specdb::MsMs 1218213 Specdb::MsMs 1218214 Specdb::MsMs 2677932 Specdb::MsMs 2677933 Specdb::MsMs 2677934 Specdb::MsMs 3031175 Specdb::MsMs 3031176 Specdb::MsMs 3031177 Specdb::CMs 19805 Specdb::CMs 38859 Specdb::CMs 131329 Specdb::CMs 139063 4446252 FDB022416 5283128 63981 Leukotriene B4 BMDBP00016 Cytochrome P450 3A28 P79102 CYP3A28 Enzyme BMDBP00610 Leukotriene A-4 hydrolase Q3SZH7 LTA4H Enzyme