CHEBI:8927 - S-(2,4-dinitrophenyl)glutathione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name S-(2,4-dinitrophenyl)glutathione
ChEBI ID CHEBI:8927
ChEBI ASCII Name S-(2,4-dinitrophenyl)glutathione
Definition A glutathione conjugate in which the thiol hydrogen of glutathione has been replaced by a 2,4-dinitrophenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:42826
Supplier Information
Download Molfile XML SDF
more structures >>
Formulae C16H19N5O10S
C16H19N5O10S
Net Charge 0
Average Mass 473.410
Monoisotopic Mass 473.08526
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)/t9-,10-/m0/s1
InChIKey FXEUKVKGTKDDIQ-UWVGGRQHSA-N
SMILES C1(=C(C=C([N+](=O)[O-])C=C1)[N+](=O)[O-])SC[C@H](NC(CC[C@H](N)C(=O)O)=O)C(=O)NCC(=O)O
ChEBI Ontology
Outgoing S-(2,4-dinitrophenyl)glutathione (CHEBI:8927) has functional parent glutathione (CHEBI:16856)
S-(2,4-dinitrophenyl)glutathione (CHEBI:8927) is a glutathione conjugate (CHEBI:24335)
S-(2,4-dinitrophenyl)glutathione (CHEBI:8927) is conjugate acid of S-(2,4-dinitrophenyl)glutathione(1−) (CHEBI:133977)
Incoming S-(2,4-dinitrophenyl)glutathione(1−) (CHEBI:133977) is conjugate base of S-(2,4-dinitrophenyl)glutathione (CHEBI:8927)
IUPAC Name
L-γ-glutamyl-S-(2,4-dinitrophenyl)-L-cysteinylglycine
Synonyms Sources
dinitrophenyl-S-glutathione ChEBI
DNP-S-glutathione ChEBI
DNP-SG MetaCyc
S-(2,4-Dinitrophenyl)glutathione KEGG COMPOUND
Manual Xrefs Databases
C11175 KEGG COMPOUND
GDN PDBeChem
S-24-DINITROPHENYLGLUTATHIONE MetaCyc
View more database links
Registry Numbers Types Sources
2033318 Beilstein Registry Number Beilstein
2199791 Reaxys Registry Number Reaxys
26289-39-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10366541 PubMed citation Europe PMC
1484101 PubMed citation Europe PMC
19299525 PubMed citation Europe PMC
20719938 PubMed citation Europe PMC
20846144 PubMed citation Europe PMC
22453052 PubMed citation Europe PMC
22925079 PubMed citation Europe PMC
23272261 PubMed citation Europe PMC
2420897 PubMed citation Europe PMC
7581009 PubMed citation Europe PMC
Last Modified
17 January 2020