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

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ChEBI Name S-(4-nitrobenzyl)glutathione ChEBI ID CHEBI:87407 ChEBI ASCII Name S-(4-nitrobenzyl)glutathione Definition An S-substituted glutathione in which the thiol hydrogen of glutathione is replaced by a 4-nitrobenzyl group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Gemma Holliday Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H22N4O8S Net Charge 0 Average Mass 442.44400 Monoisotopic Mass 442.11583 InChI InChI=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 InChIKey OAWORKDPTSAMBZ-STQMWFEESA-N SMILES N[C@@H](CCC(=O)N[C@@H](CSCc1ccc(cc1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O ChEBI Ontology Outgoing 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 Sources NSC 131122 ChemIDplus S-(p-nitrobenzyl)glutathione DrugBank Manual Xrefs Databases DB03686 DrugBank GTB PDBeChem View more database links Registry Numbers Types Sources 2196029 Reaxys Registry Number Reaxys 6803-19-6 CAS Registry Number ChemIDplus Citation Type Source 12710888 PubMed citation SUBMITTER Last Modified 05 March 2020