L-gamma-Glutamyl-L-cysteinyl-N-(3-((4-aminobutyl)amino)propyl)glycinamide
Basic information
- CAS
33932-35-3- Standard SMILES
NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O- InChIKey
NEDQLXHBVHSKNV-STQMWFEESA-N- Molecular formula
- C17H34N6O5S
- Average molar mass
- 434.6 g/mol
- Monoisotopic mass
- 434.23113938
Overview
Glutathionylspermidine is the spermidine amide of glutathione. It has a role as an Escherichia coli metabolite. It is functionally related to a spermidine. It is a conjugate base of a glutathionylspermidinium(2+).
Names & identifiers
- Preferred name
- L-gamma-Glutamyl-L-cysteinyl-N-(3-((4-aminobutyl)amino)propyl)glycinamide
- IUPAC
- (2S)-2-amino-5-[[(2R)-1-[[2-[3-(4-aminobutylamino)propylamino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
- English name
- glutathionylspermidine
- Molecular formula
- C17H34N6O5S
- Molecular weight
- 434.55406
Names & synonyms
glutathionylspermidine33932-35-3N1-(gamma-L-glutamyl-L-cysteinyl-glycyl)-spermidineCHEBI:16613N'-Glutathionylspermidine disulfideL-gamma-glutamyl-L-cysteinyl-N-{3-[(4-aminobutyl)amino]propyl}glycinamide(2S)-2-amino-5-[[(2R)-1-[[2-[3-(4-aminobutylamino)propylamino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acidL-gamma-Glutamyl-L-cysteinyl-N-(3-((4-aminobutyl)amino)propyl)glycinamide(2S)-2-amino-5-(((2R)-1-((2-(3-(4-aminobutylamino)propylamino)-2-oxoethyl)amino)-1-oxo-3-sulfanylpropan-2-yl)amino)-5-oxopentanoic acidRefChem:143734(2S)-2-amino-4-(((1R)-1-((((3-((4-aminobutyl)amino)propyl)-C-hydroxycarbonimidoyl)methyl)-C-hydroxycarbonimidoyl)-2-sulfanylethyl)-C-hydroxycarbonimidoyl)butanoic acidTS5
Show more names
orb1982747SCHEMBL4359448EX-A9009FDTXSID10955517DB03295DA-73784HY-148197CS-0615851
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 523
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Chemistry & industry
Applications
UsesGlutathionylspermidine is a peptide and a metabolite of E. coli[1].
Additional notes
DefinitionChEBI: The spermidine amide of glutathione.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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