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CHEBI:57835 - glutathionylspermidinium(2+)
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ChEBI Name
glutathionylspermidinium(2+)
ChEBI ID
CHEBI:57835
Definition
Dication of glutathionylspermidine arising from deprotonation of the terminal carboxy group and protonation of the primary and secondary amino groups; major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C17H36N6O5S
Net Charge
+2
Average Mass
436.57000
Monoisotopic Mass
436.24569
InChI
InChI=1S/C17H34N6O5S/c18-
6-
1-
2-
7-
20-
8-
3-
9-
21-
15(25)
10-
22-
16(26)
13(11-
29)
23-
14(24)
5-
4-
12(19)
17(27)
28/h12-
13,20,29H,1-
11,18-
19H2,(H,21,25)
(H,22,26)
(H,23,24)
(H,27,28)
/p+2/t12-
,13-
/m0/s1
InChIKey
NEDQLXHBVHSKNV-STQMWFEESA-P
SMILES
[NH3+]CCCC[NH2+]CCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([NH3+])C([O-])=O
ChEBI Ontology
Outgoing
glutathionylspermidinium(2+) (
CHEBI:57835
)
is a
ammonium ion derivative (
CHEBI:35274
)
glutathionylspermidinium(2+) (
CHEBI:57835
)
is a
peptide cation (
CHEBI:60194
)
glutathionylspermidinium(2+) (
CHEBI:57835
)
is conjugate acid of
glutathionylspermidine (
CHEBI:16613
)
Incoming
glutathionylspermidine (
CHEBI:16613
)
is conjugate base of
glutathionylspermidinium(2+) (
CHEBI:57835
)
IUPAC Name
N
-
[(4
S
)-
4-
azaniumyl-
4-
carboxylatobutanoyl]-
L
-
cysteinyl-
N
-
{3-
[(4-
azaniumylbutyl)azaniumyl]propyl}glycinamide
Synonyms
Sources
glutathionylspermidine
UniProt
glutathionylspermidinium dication
ChEBI
Last Modified
29 April 2014