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

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ChEBI Name S-(2,4-dinitrophenyl)glutathione(1−)
ChEBI ID CHEBI:133977
ChEBI 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C16H18N5O10S
Net Charge -1
Average Mass 472.408
Monoisotopic Mass 472.07799
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
SMILES C1(=C(C=C([N+](=O)[O-])C=C1)[N+](=O)[O-])SC[C@H](NC(CC[C@@H](C([O-])=O)[NH3+])=O)C(NCC([O-])=O)=O
ChEBI Ontology
Outgoing 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 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 Sources
2,4-dinitrophenyl-S-glutathione UniProt
DNP-SG MetaCyc
S-(2,4-dinitrophenyl)glutathionate ChEBI
Manual Xref Database
S-24-DINITROPHENYLGLUTATHIONE MetaCyc
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Last Modified
05 March 2020