CHEBI:7210 - N-acetylleukotriene E₄

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ChEBI Name N-acetylleukotriene E4 ChEBI ID CHEBI:7210 ChEBI ASCII Name N-acetylleukotriene E4 Definition A leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and an N-acetyl-L-cystein-S-yl group at position 6 (6R); it is a major bilary metabolite of cysteinyl leukotrienes. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H39NO6S Net Charge 0 Average Mass 481.647 Monoisotopic Mass 481.24981 InChI InChI=1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21?,22-,23+/m0/s1 InChIKey BGGYAYMMFYBWEX-PJEAHERNSA-N SMILES [C@@H](/C=C/C=C/C=C\C/C=C\CCCCC)([C@H](CCCC(O)=O)O)SCC(C(O)=O)NC(C)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing N-acetylleukotriene E4 (CHEBI:7210) has functional parent leukotriene E4 (CHEBI:15650) N-acetylleukotriene E4 (CHEBI:7210) has role human urinary metabolite (CHEBI:84087) N-acetylleukotriene E4 (CHEBI:7210) is a leukotriene (CHEBI:25029) IUPAC Names (5S,6R,7E,9E,11Z,14Z)-6-(N-acetyl-L-cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-acetamido-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid Synonyms Sources 5-Hydroxy-6-S-(2-acetamido-3-thiopropionyl)-7,9,11,14-eicosatetraenoic acid ChemIDplus N-acetyl leukotriene E4 ChEBI N-acetyl LTE4 ChEBI N-acetyl-S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteine IUPAC NA-Lte4 ChemIDplus Manual Xrefs Databases C11361 KEGG COMPOUND LMFA03020078 LIPID MAPS View more database links Registry Numbers Types Sources 80115-95-3 CAS Registry Number KEGG COMPOUND 80115-95-3 CAS Registry Number ChemIDplus Citations Types Sources 2174886 PubMed citation Europe PMC 22624806 PubMed citation Europe PMC 28507038 PubMed citation Europe PMC 3004344 PubMed citation Europe PMC 3515428 PubMed citation Europe PMC 3827926 PubMed citation Europe PMC Last Modified 08 August 2017