1.0 2016-09-30 23:15:10 UTC 2020-04-22 15:15:17 UTC BMDB0005073 BMDB05073 Leukotriene B5 (5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-6,8,10,14,17-eicosapentaenoic acid 5,12-DiHEPE LTB5 (5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxy-6,8,10,14,17-eicosapentaenoate 5,12-Dihydroxy-6-trans-leukotriene b(5) 5,12-Dihydroxy-6E-LTB5 5,12-Dihydroxy-6,8,10,14,17-eicosapentaenoic acid LTB 5 Leukotriene b5 C20H30O4 334.4498 334.214409448 (5S,6Z,8E,10E,12R,14Z,17Z)-5,12-dihydroxyicosa-6,8,10,14,17-pentaenoic acid leukotriene B5 80445-66-5 CC\C=C/C\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/b4-3-,8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1 BISQPGCQOHLHQK-HDNPQISLSA-N belongs to the class of organic compounds known as hydroxyeicosapentaenoic acids. These are eicosanoic acids with an attached hydroxyl group and five CC double bonds. Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Hydroxyeicosapentaenoic acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty 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 Hydroxyeicosapentaenoic acid 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 2.895 logp 4.68 ALOGPS logs -4.32 ALOGPS logp 3.76 ChemAxon pka_strongest_acidic 4.65 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (5S,6Z,8E,10E,12R,14Z,17Z)-5,12-dihydroxyicosa-6,8,10,14,17-pentaenoic acid ChemAxon average_mass 334.4498 ChemAxon mono_mass 334.214409448 ChemAxon smiles CC\C=C/C\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O ChemAxon formula C20H30O4 ChemAxon inchi InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h3-4,6-11,14-15,18-19,21-22H,2,5,12-13,16-17H2,1H3,(H,23,24)/b4-3-,8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1 ChemAxon inchikey BISQPGCQOHLHQK-HDNPQISLSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 104.1 ChemAxon polarizability 38.28 ChemAxon rotatable_bond_count 13 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 20576 Specdb::CMs 38850 Specdb::CMs 153714 Specdb::MsMs 311827 Specdb::MsMs 311828 Specdb::MsMs 311829 Specdb::MsMs 356917 Specdb::MsMs 356918 Specdb::MsMs 356919 Specdb::MsMs 435512 Specdb::MsMs 435513 Specdb::MsMs 435514 Specdb::MsMs 435515 Specdb::MsMs 435516 Specdb::MsMs 435517 Specdb::MsMs 435518 Specdb::MsMs 435519 Specdb::MsMs 435520 Specdb::MsMs 2469595 Specdb::MsMs 2469596 Specdb::MsMs 2469597 Specdb::MsMs 2492129 Specdb::MsMs 2492130 Specdb::MsMs 2492131 4446249 FDB023616 88493 5283125