CHEBI:138115 - leukotriene C4 methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name leukotriene C4 methyl ester
ChEBI ID CHEBI:138115
ChEBI ASCII Name leukotriene C4 methyl ester
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C31H49N3O9S
Net Charge 0
Average Mass 639.803
Monoisotopic Mass 639.31895
InChI InChI=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
InChIKey NEICPYXCIYSWOH-UYCXAPQFSA-N
SMILES C(/C=C\CCCCC)\C=C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)OC)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(NCC(=O)O)=O
ChEBI Ontology
Outgoing 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 Sources
leukotriene C4 monomethyl ester ChEBI
Leukotriene C4 monomethyl ester ChemIDplus
LTC4, methyl ester ChEBI
Registry Numbers Types Sources
73958-10-8 CAS Registry Number ChemIDplus
8668446 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
28507038 PubMed citation Europe PMC
Last Modified
09 August 2017