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CHEBI:138115 - leukotriene C4 methyl ester

ChEBI IDCHEBI:138115
ChEBI Nameleukotriene C4 methyl ester
Stars
ASCII Nameleukotriene C4 methyl ester
DefinitionThe methyl ester of leukotriene C4, the esterified acid group being the one forming position 1 of the icosatetraenyl chain. Leukotriene C4 methyl ester is a more lipid-soluble form of leukotriene C4.
Last Modified9 August 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC31H49N3O9S
Net Charge0
Average Mass639.812
Monoisotopic Mass639.31895
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)OC
InChIInChI=1S/C31H49N3O9S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-26(25(35)16-15-18-29(39)43-2)44-22-24(30(40)33-21-28(37)38)34-27(36)20-19-23(32)31(41)42/h7-8,10-14,17,23-26,35H,3-6,9,15-16,18-22,32H2,1-2H3,(H,33,40)(H,34,36)(H,37,38)(H,41,42)/b8-7-,11-10-,13-12+,17-14+/t23-,24-,25-,26+/m0/s1
InChIKeyNEICPYXCIYSWOH-UYCXAPQFSA-N
ChEBI Ontology
Outgoing Relation(s)
leukotriene C4 methyl ester (CHEBI:138115) has functional parent leukotriene C4 (CHEBI:16978)
leukotriene C4 methyl ester (CHEBI:138115) is a leukotriene (CHEBI:25029)
leukotriene C4 methyl ester (CHEBI:138115) is a methyl ester (CHEBI:25248)
IUPAC Names 
(2S)-2-amino-5-{[(2R)-1-[(carboxymethyl)amino]-3-{[(5S,6R,7E,9E,11Z,14Z)-5-hydroxy-1-methoxy-1-oxoicosa-7,9,11,14-tetraen-6-yl]sulfanyl}-1-oxopropan-2-yl]amino}-5-oxopentanoic acid
L-γ-glutamyl-S-[(5S,6R,7E,9E,11Z,14Z)-5-hydroxy-1-methoxy-1-oxoicosa-7,9,11,14-tetraen-6-yl]-L-cysteinylglycine
Synonyms  Source
Leukotriene C4 monomethyl esterChemIDplus
LTC4, methyl esterChEBI
leukotriene C4 monomethyl esterChEBI
Registry NumbersSources
Reaxys:8668446Reaxys
CAS:73958-10-8ChemIDplus
Citations