2-(glutathion-S-yl)-1,4-hydroquinone (CHEBI:136994)

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CHEBI:136994 - 2-(glutathion-S-yl)-1,4-hydroquinone

ChEBI ID	CHEBI:136994
ChEBI Name	2-(glutathion-S-yl)-1,4-hydroquinone
Stars
ASCII Name	2-(glutathion-S-yl)-1,4-hydroquinone
Definition	A glutathione conjugate in which the thiol hydrogen of glutathione has been replaced by a 2,5-dihydroxyphenyl group.
Last Modified	10 May 2017
Submitter	Steve
Downloads	Molfile

Formula	C16H21N3O8S
Net Charge	0
Average Mass	415.424
Monoisotopic Mass	415.10494
SMILES	N[C@@H](CCC(=O)N[C@@H](CSc1cc(O)ccc1O)C(=O)NCC(=O)O)C(=O)O
InChI	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)/t9-,10-/m0/s1
InChIKey	PBSYQNUIZQXWAE-UWVGGRQHSA-N

Species of Metabolite	Component	Source	Comments
Homo Sapiens (ncbitaxon:9606)	-	PubMed (10996661)

Roles Classification

Biological Roles:

human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

nephrotoxic agent A role played by any chemical compound (natural or synthetic) exhibiting itself through the ability to induce damage to the kidneys.

ChEBI Ontology

Outgoing Relation(s)
	2-(glutathion-S-yl)-1,4-hydroquinone (CHEBI:136994) has role human xenobiotic metabolite (CHEBI:76967)
	2-(glutathion-S-yl)-1,4-hydroquinone (CHEBI:136994) has role nephrotoxic agent (CHEBI:50909)
	2-(glutathion-S-yl)-1,4-hydroquinone (CHEBI:136994) is a aryl sulfide (CHEBI:35683)
	2-(glutathion-S-yl)-1,4-hydroquinone (CHEBI:136994) is a glutathione conjugate (CHEBI:24335)
	2-(glutathion-S-yl)-1,4-hydroquinone (CHEBI:136994) is a hydroquinones (CHEBI:24646)
	2-(glutathion-S-yl)-1,4-hydroquinone (CHEBI:136994) is conjugate acid of 2-(glutathion-S-yl)-1,4-hydroquinone(1−) (CHEBI:134616)
Incoming Relation(s)
Incoming Relation(s)	2-(glutathion-S-yl)-1,4-hydroquinone(1−) (CHEBI:134616) is conjugate base of 2-(glutathion-S-yl)-1,4-hydroquinone (CHEBI:136994)

IUPAC Name
L-γ-glutamyl-S-(2,5-dihydroxyphenyl)-L-cysteinylglycine

Synonyms	Source
S-(2,5-dihydroxyphenyl)glutathione	ChEBI
Glut-bsq conjugate	ChemIDplus
2-(S-Glutathionyl)hydroquinone	ChemIDplus
Glutathionyl hydroquinone	ChemIDplus
HQ-SG	ChemIDplus
S-glutathionyl-p-hydroquinone	ChEBI

Manual Xrefs	Databases
CPD-19760	MetaCyc

Registry Numbers	Sources
Reaxys:8365785	Reaxys
CAS:76726-99-3	ChemIDplus

Citations