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ChEBI
> Main
CHEBI:64980 - γGluCys(IAN)Gly
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ChEBI Name
γGluCys(IAN)Gly
ChEBI ID
CHEBI:64980
ChEBI ASCII Name
gammaGluCys(IAN)Gly
Definition
A glutathione conjugate that is the
S
-cyano(indol-3-yl)methyl derivative of glutathione.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H23N5O6S
Net Charge
0
Average Mass
461.49200
Monoisotopic Mass
461.13690
InChI
InChI=1S/C20H23N5O6S/c21-
7-
16(12-
8-
23-
14-
4-
2-
1-
3-
11(12)
14)
32-
10-
15(19(29)
24-
9-
18(27)
28)
25-
17(26)
6-
5-
13(22)
20(30)
31/h1-
4,8,13,15-
16,23H,5-
6,9-
10,22H2,(H,24,29)
(H,25,26)
(H,27,28)
(H,30,31)
/t13-
,15-
,16?/m0/s1
InChIKey
IYKWLNJKMRZQJG-JFXOEICMSA-N
SMILES
N[C@@H](CCC(=O)N[C@@H](CSC(C#N)c1c[nH]c2ccccc12)C(=O)NCC(O)=O)C(O)=O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
γGluCys(IAN)Gly (
CHEBI:64980
)
has functional parent
indole-3-acetonitrile (
CHEBI:17566
)
γGluCys(IAN)Gly (
CHEBI:64980
)
has role
metabolite (
CHEBI:25212
)
γGluCys(IAN)Gly (
CHEBI:64980
)
is a
glutathione conjugate (
CHEBI:24335
)
γGluCys(IAN)Gly (
CHEBI:64980
)
is a
indoles (
CHEBI:24828
)
γGluCys(IAN)Gly (
CHEBI:64980
)
is a
nitrile (
CHEBI:18379
)
γGluCys(IAN)Gly (
CHEBI:64980
)
is conjugate acid of
γGluCys(IAN)Gly(1−) (
CHEBI:64981
)
Incoming
γGluCys(IAN)Gly(1−) (
CHEBI:64981
)
is conjugate base of
γGluCys(IAN)Gly (
CHEBI:64980
)
IUPAC Name
L
-
γ-
glutamyl-
S
-
[cyano(1
H
-
indol-
3-
yl)methyl]-
L
-
cysteinylglycine
Synonym
Source
IAN-glutathione conjugate
MetaCyc
Manual Xref
Database
CPD-12634
MetaCyc
View more database links
Citation
Type
Source
19567706
PubMed citation
Europe PMC
Last Modified
21 February 2013