Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:36:49 UTC
Update Date2024-04-30 19:40:24 UTC
Metabolite IDMMDBc0029669
Metabolite Identification
Common NameS-Formylglutathione
DescriptionS-Formylglutathione is formed from the oxidation of S-hydroxymethylglutathione by the enzyme formaldehyde dehydrogenase (FDH; EC 1.2.1.1) in the presence of NAD (PubMed ID 2806555)
Structure
Synonyms
ValueSource
N-(S-(Formyl-N-L-gamma-glutamyl)-L-cysteinyl)glycineChEBI
N-(S-(Formyl-N-L-g-glutamyl)-L-cysteinyl)glycineGenerator
N-(S-(Formyl-N-L-γ-glutamyl)-L-cysteinyl)glycineGenerator
L-gamma-Glutamyl-S-formyl-L-cysteinylglycineHMDB
L-γ-Glutamyl-S-formyl-L-cysteinylglycineHMDB
S-FormylglutathioneHMDB
Molecular FormulaC11H17N3O7S
Average Mass335.334
Monoisotopic Mass335.078720603
IUPAC Name(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-(formylsulfanyl)ethyl]carbamoyl}butanoic acid
Traditional NameS-formylglutathione
CAS Registry Number50409-81-9
SMILES
N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1
InChI KeyFHXAGOICBFGEBF-BQBZGAKWSA-N