S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione(2-) (CHEBI:131797)

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CHEBI:131797 - S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione(2−)

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ChEBI ID	CHEBI:131797
ChEBI Name	S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione(2−)
Stars
ASCII Name	S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione(2-)
Definition	A peptide anion obtained by deprotonation of the the three carboxy groups and protonation of the amino group of S-(2-carboxy-2-methylbut-3-en-2-yl)-glutathione; major species at pH 7.3.
Last Modified	2 June 2016
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C15H21N3O8S
Net Charge	-2
Average Mass	403.413
Monoisotopic Mass	403.10603
SMILES	C=CC(C)(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-]
InChI	InChI=1S/C15H23N3O8S/c1-3-15(2,14(25)26)27-7-9(12(22)17-6-11(20)21)18-10(19)5-4-8(16)13(23)24/h3,8-9H,1,4-7,16H2,2H3,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H,25,26)/p-2/t8-,9-,15?/m0/s1
InChIKey	GPWMCZLMCJWORL-KZGJKODISA-L

ChEBI Ontology

Outgoing Relation(s)
	S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione(2−) (CHEBI:131797) is a peptide anion (CHEBI:60334)
	S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione(2−) (CHEBI:131797) is conjugate base of S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione (CHEBI:132118)
Incoming Relation(s)
	S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione (CHEBI:132118) is conjugate acid of S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione(2−) (CHEBI:131797)

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

UniProt Name	Source
2-glutathionyl-2-methylbut-3-enoate	UniProt

Manual Xrefs	Databases
CPD-19032	MetaCyc

Citations