1.0 2016-09-30 22:53:51 UTC 2020-04-22 15:10:35 UTC BMDB0002304 BMDB02304 Leukotriene B4 ethanolamide LTB4 Ethanol amide N-(2-Hydroxyethyl)-5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraen-1-amide C22H37NO4 379.5335 379.272258677 (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-(2-hydroxyethyl)icosa-6,8,10,14-tetraenamide LTB4 ethanol amide 877459-63-7 CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(=O)NCCO InChI=1S/C22H37NO4/c1-2-3-4-5-6-9-13-20(25)14-10-7-8-11-15-21(26)16-12-17-22(27)23-18-19-24/h6-11,14-15,20-21,24-26H,2-5,12-13,16-19H2,1H3,(H,23,27)/b8-7+,9-6-,14-10+,15-11-/t20-,21-/m1/s1 DQLVVNIINUTUIU-XLFGVTECSA-N belongs to the class of organic compounds known as n-acylethanolamines. N-acylethanolamines are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of ethanolamine. Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines N-acylethanolamines Carbonyl compounds Hydrocarbon derivatives N-acyl amines Organic oxides Organopnictogen compounds Primary alcohols Secondary alcohols Secondary carboxylic acid amides Alcohol Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Fatty acyl Fatty amide Hydrocarbon derivative N-acyl-amine N-acylethanolamine Organic oxide Organic oxygen compound Organooxygen compound Organopnictogen compound Primary alcohol Secondary alcohol Secondary carboxylic acid amide Aliphatic acyclic compounds Leukotrienes Liquid logp 3.99 ALOGPS logs -4.46 ALOGPS logp 2.85 ChemAxon pka_strongest_acidic 15.39 ChemAxon pka_strongest_basic -0.28 ChemAxon iupac (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-(2-hydroxyethyl)icosa-6,8,10,14-tetraenamide ChemAxon average_mass 379.5335 ChemAxon mono_mass 379.272258677 ChemAxon smiles CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(=O)NCCO ChemAxon formula C22H37NO4 ChemAxon inchi InChI=1S/C22H37NO4/c1-2-3-4-5-6-9-13-20(25)14-10-7-8-11-15-21(26)16-12-17-22(27)23-18-19-24/h6-11,14-15,20-21,24-26H,2-5,12-13,16-19H2,1H3,(H,23,27)/b8-7+,9-6-,14-10+,15-11-/t20-,21-/m1/s1 ChemAxon inchikey DQLVVNIINUTUIU-XLFGVTECSA-N ChemAxon polar_surface_area 89.79 ChemAxon refractivity 116 ChemAxon polarizability 45.09 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 4 ChemAxon donor_count 4 ChemAxon physiological_charge 0 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 17840 Specdb::CMs 38360 Specdb::CMs 136677 Specdb::CMs 144411 Specdb::MsMs 305524 Specdb::MsMs 305525 Specdb::MsMs 305526 Specdb::MsMs 348949 Specdb::MsMs 348950 Specdb::MsMs 348951 Specdb::MsMs 2466716 Specdb::MsMs 2466717 Specdb::MsMs 2466718 Specdb::MsMs 2496233 Specdb::MsMs 2496234 Specdb::MsMs 2496235 FDB022956 5283127 4446251