Record Information
Version2.0
StatusDetected and Quantified
Creation Date2022-06-17 19:46:06 UTC
Update Date2025-10-07 16:09:00 UTC
Metabolite IDMMDBc0055201
Metabolite Identification
Common Name2-(glutathione-S-yl)-hydroquinone
Description2-(glutathione-S-yl)-hydroquinone is a thiol compound belonging to the class of conjugates formed between glutathione and hydroquinone. There is limited literature available on this metabolite, indicating a need for further research to understand its biological significance and potential implications in health and disease.
Structure
Synonyms
ValueSource
2-(Glutathion-S-yl)hydroquinone(1-)ChEBI
S-(2,5-Dihydroxyphenyl)glutathione(1-)ChEBI
Molecular FormulaC16H20N3O8S
Average Mass414.41
Monoisotopic Mass414.09765937
IUPAC Name3-{[(2R)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl]sulfanyl}-4-hydroxybenzen-1-olate
Traditional Name3-{[(2R)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-2-(carboxymethyl-C-hydroxycarbonimidoyl)ethyl]sulfanyl}-4-hydroxybenzenolate
CAS Registry NumberNot Available
SMILES
[H][C@](N)(CCC(O)=N[C@@]([H])(CSC1=C(O)C=CC([O-])=C1)C(O)=NCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C16H21N3O8S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-28-12-5-8(20)1-3-11(12)21/h1,3,5,9-10,20-21H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/p-1/t9-,10-/m0/s1
InChI KeyPBSYQNUIZQXWAE-UWVGGRQHSA-M