1.0 2016-09-30 23:15:22 UTC 2020-04-22 15:15:21 UTC BMDB0005088 BMDB05088 6-trans-12-epi-Leukotriene B4 (5S,6E,8E,10E,12S,14Z)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoic acid 12-Epi-Delta(6)-trans-leukotriene b4 5(S),12(S)-Dihydroxy-6,8,10,14-(trans,trans,trans,cis)-eicosatetraenoic acid 5S,12S-Dihydroxy-6E,8E,10E,14Z-eicosatetraenoic acid 5S,12S-Dihydroxy-6E,8E,10E,14Z-icosatetraenoic acid 6-trans-12-Epi-LTB4 (5S,6E,8E,10E,12S,14Z)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate 12-Epi-δ(6)-trans-leukotriene b4 5(S),12(S)-Dihydroxy-6,8,10,14-(trans,trans,trans,cis)-eicosatetraenoate 5S,12S-Dihydroxy-6E,8E,10E,14Z-eicosatetraenoate 5S,12S-Dihydroxy-6E,8E,10E,14Z-icosatetraenoate 12-Epi-D6-trans-leukotriene b4 12-Epi-LTB4 D6-trans-12-Epi-LTB4 D6-trans-12-Epileukotriene b4 [S-[R*,r*-(e,e,e,Z)]]-5,12-dihydroxy-6,8,10,14-eicosatetraenoate [S-[R*,r*-(e,e,e,Z)]]-5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid (5S,6E,8E,10E,12S,14Z)-5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid 12-Epi-delta6-trans-leukotriene b4 12-Epi-δ6-trans-leukotriene b4 delta6-trans-12-Epileukotriene b4 delta6-trans-12-Epi-LTB4 Δ6-trans-12-epileukotriene b4 Δ6-trans-12-epi-LTB4 Δ(6)-trans-12-epi-leukotriene b4 6-trans-12-epi-Leukotriene B4 C20H32O4 336.4657 336.230059512 (5S,6E,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid 6-trans-12-epi-LTB4 71548-19-1 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+/m0/s1 VNYSSYRCGWBHLG-CTOJTRLNSA-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,12S,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+/m0/s1 ChemAxon inchikey VNYSSYRCGWBHLG-CTOJTRLNSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 102.98 ChemAxon polarizability 40.53 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::CMs 24766 Specdb::CMs 38860 Specdb::CMs 136611 Specdb::CMs 144345 Specdb::MsMs 320848 Specdb::MsMs 320849 Specdb::MsMs 320850 Specdb::MsMs 368335 Specdb::MsMs 368336 Specdb::MsMs 368337 Specdb::MsMs 2766476 Specdb::MsMs 2766477 Specdb::MsMs 2766478 Specdb::MsMs 2911682 Specdb::MsMs 2911683 Specdb::MsMs 2911684 4446253 FDB023626 5283129 63982