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CHEBI:57835 - glutathionylspermidinium(2+)

ChEBI IDCHEBI:57835
ChEBI Nameglutathionylspermidinium(2+)
Stars
DefinitionDication 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.
Last Modified29 April 2014
DownloadsMolfile
FormulaC17H36N6O5S
Net Charge+2
Average Mass436.579
Monoisotopic Mass436.24569
SMILES[NH3+]CCCC[NH2+]CCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([NH3+])C(=O)[O-]
InChIInChI=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
InChIKeyNEDQLXHBVHSKNV-STQMWFEESA-P
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
glutathionylspermidinium dicationChEBI
UniProt Name  Source
glutathionylspermidineUniProt