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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H36N6O5S
Net Charge +2
Average Mass 436.57000
Monoisotopic Mass 436.247
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 (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-[(4S)-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