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

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ChEBI Name 2-(glutathion-S-yl)-1,4-hydroquinone(1−)
ChEBI ID CHEBI:134616
ChEBI 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C16H20N3O8S
Net Charge -1
Average Mass 414.412
Monoisotopic Mass 414.09766
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
SMILES [NH3+][C@@H](CCC(=O)N[C@@H](CSC1=CC(=CC=C1O)O)C(=O)NCC(=O)[O-])C(=O)[O-]
ChEBI Ontology
Outgoing 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 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 Sources
2-(glutathion-S-yl)hydroquinone(1−) ChEBI
2-(glutathione-S-yl)-hydroquinone UniProt
S-(2,5-dihydroxyphenyl)glutathione(1−) ChEBI
Manual Xref Database
CPD-19760 MetaCyc
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Citations Waiting for Citations Types Sources
22686328 PubMed citation SUBMITTER
22955277 PubMed citation SUBMITTER
Last Modified
05 March 2020