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CHEBI:138126 - leukotriene E4 methyl ester

ChEBI IDCHEBI:138126
ChEBI Nameleukotriene E4 methyl ester
Stars
ASCII Nameleukotriene E4 methyl ester
DefinitionThe 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.
Last Modified9 August 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H39NO5S
Net Charge0
Average Mass453.645
Monoisotopic Mass453.25489
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(=O)OC
InChIInChI=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
InChIKeyFIXJQRIEAIDXEN-KLWHAKNWSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
LTE4, methyl esterChEBI
leukotriene E4 monomethyl esterChEBI
LTE4 methyl esterChEBI
Registry NumbersSources
Reaxys:5149784Reaxys
Citations