CHEBI:231531 - 2-glutathionyl-4,6-dinitrotoluene(1−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-glutathionyl-4,6-dinitrotoluene(1−)
ChEBI ID CHEBI:231531
ChEBI ASCII Name 2-glutathionyl-4,6-dinitrotoluene(1-)
Stars This entity has been manually annotated by a third party.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C17H20N5O10S
Net Charge -1
Average Mass 486.430
Monoisotopic Mass 486.09364
InChI InChI=1S/C17H21N5O10S/c1-8-12(22(31)32)4-9(21(29)30)5-13(8)33-7-11(16(26)19-6-15(24)25)20-14(23)3-2-10(18)17(27)28/h4-5,10-11H,2-3,6-7,18H2,1H3,(H,19,26)(H,20,23)(H,24,25)(H,27,28)/p-1/t10-,11-/m0/s1
InChIKey GZCVDUUXUHYGPT-QWRGUYRKSA-M
SMILES C1(=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)SC[C@H](NC(CC[C@@H](C([O-])=O)[NH3+])=O)C(NCC([O-])=O)=O)C
ChEBI Ontology
Outgoing 2-glutathionyl-4,6-dinitrotoluene(1−) (CHEBI:231531) is a C-nitro compound (CHEBI:35716)
2-glutathionyl-4,6-dinitrotoluene(1−) (CHEBI:231531) is a S-substituted glutathione (CHEBI:17021)
Synonym Source
S-(4,6-dinitrotoluyl)glutathione UniProt
Citation Waiting for Citations Type Source
24733884 PubMed citation SUBMITTER