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ChEBI
> Main
CHEBI:137676 - Cys(IAN)-Gly
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ChEBI Name
Cys(IAN)-Gly
ChEBI ID
CHEBI:137676
Definition
An
S
-conjugate in which the mercapto hydrogen of
L
-cysteinylglycine has been replaced by a cyano(indol-3-yl)methyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H16N4O3S
Net Charge
0
Average Mass
332.379
Monoisotopic Mass
332.09431
InChI
InChI=1S/C15H16N4O3S/c16-
5-
13(10-
6-
18-
12-
4-
2-
1-
3-
9(10)
12)
23-
8-
11(17)
15(22)
19-
7-
14(20)
21/h1-
4,6,11,13,18H,7-
8,17H2,(H,19,22)
(H,20,21)
/t11-
,13?/m0/s1
InChIKey
KRSCQOPJLNSQDL-AMGKYWFPSA-N
SMILES
N[C@@H](CSC(C#N)C1=CNC2=C1C=CC=C2)C(=O)NCC(=O)O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Cys(IAN)-Gly (
CHEBI:137676
)
has functional parent
L
-cysteinylglycine (
CHEBI:4047
)
Cys(IAN)-Gly (
CHEBI:137676
)
has functional parent
indole-3-acetonitrile (
CHEBI:17566
)
Cys(IAN)-Gly (
CHEBI:137676
)
is a
S
-conjugate (
CHEBI:64987
)
Cys(IAN)-Gly (
CHEBI:137676
)
is a
dipeptide (
CHEBI:46761
)
Cys(IAN)-Gly (
CHEBI:137676
)
is a
indoles (
CHEBI:24828
)
Cys(IAN)-Gly (
CHEBI:137676
)
is a
nitrile (
CHEBI:18379
)
Cys(IAN)-Gly (
CHEBI:137676
)
is tautomer of
Cys(IAN)-Gly zwitterion (
CHEBI:136832
)
Incoming
Cys(IAN)-Gly zwitterion (
CHEBI:136832
)
is tautomer of
Cys(IAN)-Gly (
CHEBI:137676
)
IUPAC Name
S
-[cyano(1
H
-indol-3-yl)methyl]-
L
-cysteinylglycine
Synonyms
Sources
2-(glycyl--
S
-yl)-2-(1
H
-indol-3-yl)-acetonitrile
MetaCyc
IAN-glycylcysteine conjugate
ChEBI
indole-3-acetonitrile-glycylcysteine conjugate
MetaCyc
L
-Cys(IAN)-Gly
ChEBI
S
-[cyano(indol-3-yl)methyl]-
L
-cysteinylglycine
ChEBI
S
-[cyano(indol-3-yl)methyl]cysteinylglycine
ChEBI
Manual Xref
Database
CPD-12635
MetaCyc
View more database links
Last Modified
06 July 2017