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CHEBI:16613 - glutathionylspermidine

ChEBI IDCHEBI:16613
ChEBI Nameglutathionylspermidine
Stars
DefinitionThe spermidine amide of glutathione.
Secondary ChEBI IDsCHEBI:5438, CHEBI:12624, CHEBI:14329, CHEBI:24341, CHEBI:46146
Last Modified25 January 2016
DownloadsMolfile
FormulaC17H34N6O5S
Net Charge0
Average Mass434.563
Monoisotopic Mass434.23114
SMILESNCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)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)/t12-,13-/m0/s1
InChIKeyNEDQLXHBVHSKNV-STQMWFEESA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
glutathionylspermidine (CHEBI:16613) has functional parent spermidine (CHEBI:16610)
glutathionylspermidine (CHEBI:16613) has role Escherichia coli metabolite (CHEBI:76971)
glutathionylspermidine (CHEBI:16613) is a glutathione derivative (CHEBI:24337)
glutathionylspermidine (CHEBI:16613) is conjugate base of glutathionylspermidinium(2+) (CHEBI:57835)
Incoming Relation(s)
glutathionylspermidinium(2+) (CHEBI:57835) is conjugate acid of glutathionylspermidine (CHEBI:16613)
IUPAC Name 
L-γ-glutamyl-L-cysteinyl-N-{3-[(4-aminobutyl)amino]propyl}glycinamide
Synonyms  Source
GlutathionylspermidineKEGG COMPOUND
N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidineKEGG COMPOUND
Manual XrefsDatabases
C05730KEGG COMPOUND
DB03295DrugBank
Registry NumbersSources
Beilstein:6540906Beilstein
CAS:33932-35-3ChemIDplus
CAS:33932-35-3KEGG COMPOUND