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CHEBI:87408 - S-[2-hydroxy-3-(4-nitrophenoxy)propyl]glutathione

ChEBI IDCHEBI:87408
ChEBI NameS-[2-hydroxy-3-(4-nitrophenoxy)propyl]glutathione
Stars
ASCII NameS-[2-hydroxy-3-(4-nitrophenoxy)propyl]glutathione
DefinitionA glutathione derivative in which the thiol hydrogen of glutathione is replaced by a [2-hydroxy-3-(4-nitrophenoxy)propyl group.
Last Modified21 August 2015
Submittergemma
DownloadsMolfile
FormulaC19H26N4O10S
Net Charge0
Average Mass502.502
Monoisotopic Mass502.13696
SMILESN[C@@H](CCC(=O)N[C@@H](CSCC(O)COc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C19H26N4O10S/c20-14(19(29)30)5-6-16(25)22-15(18(28)21-7-17(26)27)10-34-9-12(24)8-33-13-3-1-11(2-4-13)23(31)32/h1-4,12,14-15,24H,5-10,20H2,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t12?,14-,15-/m0/s1
InChIKeyRIGGYUBYQPLACK-ZRNAQANOSA-N
ChEBI Ontology
Outgoing Relation(s)
S-[2-hydroxy-3-(4-nitrophenoxy)propyl]glutathione (CHEBI:87408) is a C-nitro compound (CHEBI:35716)
S-[2-hydroxy-3-(4-nitrophenoxy)propyl]glutathione (CHEBI:87408) is a aromatic ether (CHEBI:35618)
S-[2-hydroxy-3-(4-nitrophenoxy)propyl]glutathione (CHEBI:87408) is a glutathione derivative (CHEBI:24337)
S-[2-hydroxy-3-(4-nitrophenoxy)propyl]glutathione (CHEBI:87408) is a organic sulfide (CHEBI:16385)
IUPAC Name 
L-γ-glutamyl-S-[2-hydroxy-3-(4-nitrophenoxy)propyl]-L-cysteinylglycine
Synonym  Source
1-(4-Nitrophenoxy)-3-(S-glutathionyl)-2-propanolChemIDplus
Registry NumbersSources
CAS:67881-51-0ChemIDplus
Citations