1.0 2016-09-30 22:40:54 UTC 2020-05-11 20:44:23 UTC BMDB0001085 BMDB01085 Leukotriene B4 (5S,12R,6Z,8E,10E,14Z)-5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid (5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoic acid (S-(R*,s*-(e,Z,e,Z)))-5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid 5(S),12(R)-Dihydroxy-6(Z),8(e),10(e),14(Z)-eicosatetraenoic acid 5(S),12(R)-Dihydroxy-6(Z),8(e),10(e),14(Z)-icosatetraenoic acid 5,12-Dihete 5,12-Hete 5S,12R-Dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid LTB4 (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyicosa-6,8,10,14-tetraenoate (5S,12R,6Z,8E,10E,14Z)-5,12-Dihydroxy-6,8,10,14-eicosatetraenoate (5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate (S-(R*,s*-(e,Z,e,Z)))-5,12-dihydroxy-6,8,10,14-eicosatetraenoate 5(S),12(R)-Dihydroxy-6(Z),8(e),10(e),14(Z)-eicosatetraenoate 5(S),12(R)-Dihydroxy-6(Z),8(e),10(e),14(Z)-icosatetraenoate 5S,12R-Dihydroxy-6Z,8E,10E,14Z-eicosatetraenoate (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoic acid (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyicosa-6,8,10,14-tetraenoic acid 5,12 HETE 5,12 DiHETE Leukotriene b-4 Leukotrienes b b-4, Leukotriene Leukotriene b 4 Leukotriene b 5,12-Dihydroxy-6,10-trans -8,14-cis -eicosatetraenoate 5,12-Dihydroxy-6,10-trans -8,14-cis -eicosatetraenoic acid Leukotriene b4 ethanol solution (+)-Leukotriene b4 (5S,12R)-Leukotriene b4 5(S),12(R)-Dihydroxy-6-cis,8,10-trans,14-cis-eicosatetraenoic acid Leucotriene b4 cis-Leukotriene b4 Leukotriene B4 C20H32O4 336.4657 336.230059512 (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid leukotriene B4 71160-24-2 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-AMOLWHMGSA-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 Leukotrienes dihydroxy monocarboxylic acid hydroxy fatty acid leukotriene long-chain fatty acid polyunsaturated fatty acid Solid 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,6Z,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-AMOLWHMGSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 102.98 ChemAxon polarizability 39.51 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 Arachidonic Acid Metabolism SMP0087220 Specdb::CMs 3047 Specdb::CMs 37920 Specdb::CMs 152773 Specdb::NmrOneD 310931 Specdb::NmrOneD 310932 Specdb::NmrOneD 310933 Specdb::NmrOneD 310934 Specdb::NmrOneD 310935 Specdb::NmrOneD 310936 Specdb::NmrOneD 310937 Specdb::NmrOneD 310938 Specdb::NmrOneD 310939 Specdb::NmrOneD 310940 Specdb::NmrOneD 310941 Specdb::NmrOneD 310942 Specdb::NmrOneD 310943 Specdb::NmrOneD 310944 Specdb::NmrOneD 310945 Specdb::NmrOneD 310946 Specdb::NmrOneD 310947 Specdb::NmrOneD 310948 Specdb::NmrOneD 310949 Specdb::NmrOneD 310950 Specdb::MsMs 23537 Specdb::MsMs 23538 Specdb::MsMs 23539 Specdb::MsMs 30335 Specdb::MsMs 30336 Specdb::MsMs 30337 Specdb::MsMs 435494 Specdb::MsMs 435495 Specdb::MsMs 435496 Specdb::MsMs 435497 Specdb::MsMs 435498 Specdb::MsMs 435499 Specdb::MsMs 435500 Specdb::MsMs 435501 Specdb::MsMs 435502 Specdb::MsMs 440658 Specdb::MsMs 2812040 Specdb::MsMs 2812041 Specdb::MsMs 2812042 Specdb::MsMs 2896560 Specdb::MsMs 2896561 Specdb::MsMs 2896562 Epidermis Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Leukocyte Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Platelet Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C02165 5280492 15647 DB12961 Leukotriene_B4 Han, Chao Qi; DiTullio, Dennis; Wang, Yi Fong; Sih, Charles J. A chemoenzymatic synthesis of leukotriene B4. Journal of Organic Chemistry (1986), 51(8), 1253-8. BMDBP00610 Leukotriene A-4 hydrolase Q3SZH7 LTA4H Enzyme BMDBP01891 Leukotriene B4 receptor 1 Q3T181 LTB4R Enzyme