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
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 Waiting for Citations Type Source
28507038 PubMed citation Europe PMC
Last Modified
09 August 2017