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ChEBI
> Main
CHEBI:136832 - Cys(IAN)-Gly zwitterion
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ChEBI Name
Cys(IAN)-Gly zwitterion
ChEBI ID
CHEBI:136832
Definition
A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of Cys(IAN)-Gly; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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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
[NH3+][C@@H](CSC(C#N)C1=CNC2=C1C=CC=C2)C(=O)NCC(=O)[O-]
ChEBI Ontology
Outgoing
Cys(IAN)-Gly zwitterion (
CHEBI:136832
)
is a
dipeptide zwitterion (
CHEBI:90799
)
Cys(IAN)-Gly zwitterion (
CHEBI:136832
)
is tautomer of
Cys(IAN)-Gly (
CHEBI:137676
)
Incoming
Cys(IAN)-Gly (
CHEBI:137676
)
is tautomer of
Cys(IAN)-Gly zwitterion (
CHEBI:136832
)
IUPAC Name
{[(2
R
)-2-azaniumyl-3-{[cyano(1
H
-indol-3-yl)methyl]sulfanyl}propanoyl]amino}acetate
Synonyms
Sources
2-(glycyl-
L
-cystein-
S
-yl)-2-(1
H
-indol-3-yl)acetonitrile
UniProt
L
-Cys(IAN)-Gly zwitterion
ChEBI
Manual Xref
Database
CPD-12635
MetaCyc
View more database links
Last Modified
28 September 2017