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CHEBI:65007 - γGluCys(4MeOI3M)Gly

ChEBI IDCHEBI:65007
ChEBI NameγGluCys(4MeOI3M)Gly
Stars
ASCII NamegammaGluCys(4MeOI3M)Gly
DefinitionA tripeptide that is glutathione in which the side-chain thiol group of the cysteine residue is substituted by a 4-methoxyindol-3-ylmethyl group.
Last Modified19 July 2012
Submittermwilliams
DownloadsMolfile
FormulaC20H26N4O7S
Net Charge0
Average Mass466.516
Monoisotopic Mass466.15222
SMILESCOc1cccc2ncc(CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c12
InChIInChI=1S/C20H26N4O7S/c1-31-15-4-2-3-13-18(15)11(7-22-13)9-32-10-14(19(28)23-8-17(26)27)24-16(25)6-5-12(21)20(29)30/h2-4,7,12,14,22H,5-6,8-10,21H2,1H3,(H,23,28)(H,24,25)(H,26,27)(H,29,30)/t12-,14-/m0/s1
InChIKeyVQCJUVLBCCMWJY-JSGCOSHPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
γGluCys(4MeOI3M)Gly (CHEBI:65007) has functional parent indole-3-methanol (CHEBI:24814)
γGluCys(4MeOI3M)Gly (CHEBI:65007) has role metabolite (CHEBI:25212)
γGluCys(4MeOI3M)Gly (CHEBI:65007) is a S-conjugate (CHEBI:64987)
γGluCys(4MeOI3M)Gly (CHEBI:65007) is a glutathione derivative (CHEBI:24337)
γGluCys(4MeOI3M)Gly (CHEBI:65007) is a indoles (CHEBI:24828)
γGluCys(4MeOI3M)Gly (CHEBI:65007) is a tripeptide (CHEBI:47923)
IUPAC Name 
L-γ-glutamyl-S-[(4-methoxy-1H-indol-3-yl)methyl]-L-cysteinylglycine
Synonyms  Source
S-(4-methoxyindol-3-ylmethyl)-glutathioneChEBI
L-γGlu-L-Cys-(4MeOI3M)-GlyChEBI