S-sulfanylglutathione (PAMDB110432)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110432
Identification
Name: S-sulfanylglutathione
Description:Conjugate base of S-sulfanylglutathione having both carboxy groups in anionic form and a protonated primary amino group.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • GSSH
  • glutathione-sulfide
  • glutathione persulfide
Chemical Formula: C10H16N3O6S2
Average Molecular Weight: 340.063701706
Monoisotopic Molecular Weight: 340.063701706
InChI Key: QBOLVLBSUGJHGB-WDSKDSINSA-M
InChI: InChI=1S/C10H17N3O6S2/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1
CAS number: Not Available
IUPAC Name:(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-disulfanyl-1-oxopropan-2-yl}amino)-5-oxopentanoate
Traditional IUPAC Name: Not Available
SMILES:C(SS)C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Carboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct Parent Oligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Gamma-glutamyl alpha peptide
  • Glutamine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Cysteine or derivatives
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • N-acyl-amine
  • Fatty acyl
  • Fatty amide
  • Fatty acid
  • Dicarboxylic acid or derivatives
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid salt
  • Carboxylic acid
  • Sulfenyl compound
  • Organosulfur compound
  • Organic nitrogen compound
  • Organic salt
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:-1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer46878477 PubChem
Molecular Weight338.373 g/molPubChem
XLogP3-AA-2.8 PubChem
Hydrogen Bond Donor Count4 PubChem
Hydrogen Bond Acceptor Count8 PubChem
Rotatable Bond Count8 PubChem
Exact Mass338.048 g/molPubChem
Monoisotopic Mass338.048 g/molPubChem
Topological Polar Surface Area192 A^2PubChem
Heavy Atom Count21 PubChem
Formal Charge-1 PubChem
Complexity395 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count2 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
S0 + glutathione → S-sulfanylglutathione
S-sulfanylglutathione + FE+3 + Water → Hydrogen ion + Sulfite + glutathione + FE+2
glutathione + Intracellular-Sulfur → S-sulfanylglutathione
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
ChEBI58905
KEGGC17267
PubChem46878477