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

ChEBI IDCHEBI:231531
ChEBI Name2-glutathionyl-4,6-dinitrotoluene(1−)
Stars
ASCII Name2-glutathionyl-4,6-dinitrotoluene(1-)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC17H20N5O10S
Net Charge-1
Average Mass486.439
Monoisotopic Mass486.09364
SMILESCc1c(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=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
InChIKeyGZCVDUUXUHYGPT-QWRGUYRKSA-M
ChEBI Ontology
Outgoing Relation(s)
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)
UniProt Name  Source
S-(4,6-dinitrotoluyl)glutathioneUniProt
Citations