Record Information
Version1.0
Creation date2011-09-21 00:13:30 UTC
Update date2020-09-17 15:38:47 UTC
Primary IDFDB022405
Secondary Accession Numbers
  • FDB031155
Chemical Information
FooDB NameS-Lactoylglutathione
DescriptionS-Lactoylglutathione 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. S-Lactoylglutathione is a very strong basic compound (based on its pKa). S-Lactoylglutathione exists in all living species, ranging from bacteria to humans. Within humans, S-lactoylglutathione participates in a number of enzymatic reactions. In particular, S-lactoylglutathione can be converted into glutathione and D-lactic acid; which is mediated by the enzyme hydroxyacylglutathione hydrolase, mitochondrial. In addition, S-lactoylglutathione can be converted into glutathione and pyruvaldehyde through the action of the enzyme lactoylglutathione lyase. In humans, S-lactoylglutathione is involved in pyruvate metabolism. Outside of the human body, S-Lactoylglutathione has been detected, but not quantified in, several different foods, such as sweet potato, pistachio, guava, welsh onions, and german camomiles. This could make S-lactoylglutathione a potential biomarker for the consumption of these foods. The S- derivative of glutathione.
CAS Number25138-66-3
Structure
Thumb
Synonyms
SynonymSource
(R)-S-lactoylglutathionehmdb
D-lactoylglutathionehmdb
delta-lactoylglutathionehmdb
n-(n-l-gamma-glutamyl-S-(2-hydroxy-1-oxopropyl)-l-cysteinyl)-glycinehmdb
S-[(2R)-2-hydroxypropanoyl]-gamma-L-glutamyl-L-cysteinylglycinehmdb
S-D-lactoyl-glutathionehmdb
S-D-lactoylglutathionehmdb
S-delta-lactoyl-glutathionehmdb
S-delta-lactoylglutathionehmdb
S-lactate glutathionehmdb
S-lactateglutathionehmdb
S-lactoyl-glutathionehmdb
S-lactylglutathionehmdb
Predicted PropertiesNot Available
Chemical FormulaC13H21N3O8S
IUPAC name
InChI IdentifierInChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7+,8+/m1/s1
InChI KeyVDYDCVUWILIYQF-CSMHCCOUSA-N
Isomeric SMILESC[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
Average Molecular Weight379.386
Monoisotopic Molecular Weight379.104935353
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Biological location:

Source:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID389032
ChEMBL IDNot Available
KEGG Compound IDC03451
Pubchem Compound ID440018
Pubchem Substance IDNot Available
ChEBI ID15694
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB01066
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID41876
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
Pathways
NameSMPDB LinkKEGG Link
Pyruvaldehyde DegradationSMP00459 Not Available
Pyruvate MetabolismSMP00060 map00620
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference