S-(2,4-dinitrophenyl)glutathione(1-) (CHEBI:133977)

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CHEBI:133977 - S-(2,4-dinitrophenyl)glutathione(1−)

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ChEBI ID	CHEBI:133977
ChEBI Name	S-(2,4-dinitrophenyl)glutathione(1−)
Stars
ASCII Name	S-(2,4-dinitrophenyl)glutathione(1-)
Definition	An S-substituted glutathione(1−) obtained by deprotonation of the the two carboxy groups and protonation of the glutamyl amino group of S-(2,4-dinitrophenyl)glutathione. Major microspecies at pH 7.3.
Last Modified	5 March 2020
Submitter	Anne Morgat
Downloads	Molfile

Formula	C16H18N5O10S
Net Charge	-1
Average Mass	472.412
Monoisotopic Mass	472.07799
SMILES	[NH3+][C@@H](CCC(=O)N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-]
InChI	InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/p-1/t9-,10-/m0/s1
InChIKey	FXEUKVKGTKDDIQ-UWVGGRQHSA-M

ChEBI Ontology

Outgoing Relation(s)
	S-(2,4-dinitrophenyl)glutathione(1−) (CHEBI:133977) has functional parent glutathionate(1−) (CHEBI:57925)
	S-(2,4-dinitrophenyl)glutathione(1−) (CHEBI:133977) is a S-substituted glutathione(1−) (CHEBI:90779)
	S-(2,4-dinitrophenyl)glutathione(1−) (CHEBI:133977) is conjugate base of S-(2,4-dinitrophenyl)glutathione (CHEBI:8927)
Incoming Relation(s)
	S-(2,4-dinitrophenyl)glutathione (CHEBI:8927) is conjugate acid of S-(2,4-dinitrophenyl)glutathione(1−) (CHEBI:133977)

IUPAC Name
(2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(2,4-dinitrophenyl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate

Synonyms	Source
DNP-SG	MetaCyc
S-(2,4-dinitrophenyl)glutathionate	ChEBI

UniProt Name	Source
2,4-dinitrophenyl-S-glutathione	UniProt

Manual Xrefs	Databases
S-24-DINITROPHENYLGLUTATHIONE	MetaCyc