2-(glutathion-S-yl)-1,4-hydroquinone(1-) (CHEBI:134616)

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CHEBI:134616 - 2-(glutathion-S-yl)-1,4-hydroquinone(1−)

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ChEBI ID	CHEBI:134616
ChEBI Name	2-(glutathion-S-yl)-1,4-hydroquinone(1−)
Stars
ASCII Name	2-(glutathion-S-yl)-1,4-hydroquinone(1-)
Definition	An S-substituted glutathione(1−) obtained by deprotonation of the the two carboxy groups and protonation of the amino group of 2-(glutathion-S-yl)hydroquinone; major species at pH 7.3.
Last Modified	5 March 2020
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C16H20N3O8S
Net Charge	-1
Average Mass	414.416
Monoisotopic Mass	414.09766
SMILES	[NH3+][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)/p-1/t9-,10-/m0/s1
InChIKey	PBSYQNUIZQXWAE-UWVGGRQHSA-M

ChEBI Ontology

Outgoing Relation(s)
	2-(glutathion-S-yl)-1,4-hydroquinone(1−) (CHEBI:134616) is a S-substituted glutathione(1−) (CHEBI:90779)
	2-(glutathion-S-yl)-1,4-hydroquinone(1−) (CHEBI:134616) is conjugate base of 2-(glutathion-S-yl)-1,4-hydroquinone (CHEBI:136994)
Incoming Relation(s)
	2-(glutathion-S-yl)-1,4-hydroquinone (CHEBI:136994) is conjugate acid of 2-(glutathion-S-yl)-1,4-hydroquinone(1−) (CHEBI:134616)

IUPAC Name
(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(2,5-dihydroxyphenyl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate

Synonyms	Source
S-(2,5-dihydroxyphenyl)glutathione(1−)	ChEBI
2-(glutathion-S-yl)hydroquinone(1−)	ChEBI

UniProt Name	Source
2-(glutathione-S-yl)-hydroquinone	UniProt

Manual Xrefs	Databases
CPD-19760	MetaCyc

Citations