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 eMolecules:1934580 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 Last Modified 08 August 2017