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CHEBI:87407 - S-(4-nitrobenzyl)glutathione

ChEBI IDCHEBI:87407
ChEBI NameS-(4-nitrobenzyl)glutathione
Stars
ASCII NameS-(4-nitrobenzyl)glutathione
DefinitionAn S-substituted glutathione in which the thiol hydrogen of glutathione is replaced by a 4-nitrobenzyl group.
Last Modified5 March 2020
Submittergemma
DownloadsMolfile
FormulaC17H22N4O8S
Net Charge0
Average Mass442.450
Monoisotopic Mass442.11583
SMILESN[C@@H](CCC(=O)N[C@@H](CSCc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C17H22N4O8S/c18-12(17(26)27)5-6-14(22)20-13(16(25)19-7-15(23)24)9-30-8-10-1-3-11(4-2-10)21(28)29/h1-4,12-13H,5-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/t12-,13-/m0/s1
InChIKeyOAWORKDPTSAMBZ-STQMWFEESA-N
ChEBI Ontology
Outgoing Relation(s)
S-(4-nitrobenzyl)glutathione (CHEBI:87407) is a C-nitro compound (CHEBI:35716)
S-(4-nitrobenzyl)glutathione (CHEBI:87407) is a S-substituted glutathione (CHEBI:17021)
S-(4-nitrobenzyl)glutathione (CHEBI:87407) is a organic sulfide (CHEBI:16385)
IUPAC Name 
L-γ-glutamyl-S-[(4-nitrophenyl)methyl]-L-cysteinylglycine
Synonyms  Source
S-(p-nitrobenzyl)glutathioneDrugBank
NSC 131122ChemIDplus
Manual XrefsDatabases
DB03686DrugBank
GTBPDBeChem
Registry NumbersSources
Reaxys:2196029Reaxys
CAS:6803-19-6ChemIDplus
Citations