CHEBI:138126 - leukotriene E₄ methyl ester

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name leukotriene E4 methyl ester ChEBI ID CHEBI:138126 ChEBI ASCII Name leukotriene E4 methyl ester Definition The methyl ester of leukotriene E4, the esterified acid group being the one forming position 1 of the icosatetraenyl chain. Leukotriene E4 methyl ester is a more lipid-soluble form of leukotriene E4. 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 C24H39NO5S Net Charge 0 Average Mass 453.637 Monoisotopic Mass 453.25489 InChI InChI=1S/C24H39NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22(31-19-20(25)24(28)29)21(26)16-15-18-23(27)30-2/h7-8,10-14,17,20-22,26H,3-6,9,15-16,18-19,25H2,1-2H3,(H,28,29)/b8-7-,11-10-,13-12+,17-14+/t20-,21-,22+/m0/s1 InChIKey FIXJQRIEAIDXEN-KLWHAKNWSA-N SMILES C(/C=C\CCCCC)/C=C\C=C\C=C\[C@H]([C@@H](O)CCCC(=O)OC)SC[C@H](N)C(=O)O ChEBI Ontology Outgoing leukotriene E4 methyl ester (CHEBI:138126) has functional parent leukotriene E4 (CHEBI:15650) leukotriene E4 methyl ester (CHEBI:138126) is a leukotriene (CHEBI:25029) leukotriene E4 methyl ester (CHEBI:138126) is a methyl ester (CHEBI:25248) IUPAC Names (2R)-2-amino-3-{[(5S,6R,7E,9E,11Z,14Z)-5-hydroxy-1-methoxy-1-oxoicosa-7,9,11,14-tetraen-6-yl]sulfanyl}propanoic acid S-{(6Z,9Z,11E,13E,15S,16R)-16-hydroxy-20-methoxy-20-oxoicosa-6,9,11,13-tetraen-15-yl}-L-cysteine Synonyms Sources leukotriene E4 monomethyl ester ChEBI LTE4 methyl ester ChEBI LTE4, methyl ester ChEBI Registry Number Type Source 5149784 Reaxys Registry Number Reaxys Citation Type Source 28507038 PubMed citation Europe PMC Last Modified 09 August 2017