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CHEBI:35422 - 4-nitrophenyl hydrogen sulfate

ChEBI IDCHEBI:35422
ChEBI Name4-nitrophenyl hydrogen sulfate
Stars
DefinitionAn aryl sulfate the mono 4-nitrophenyl ester of sulfuric acid.
Last Modified11 June 2018
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H5NO6S
Net Charge0
Average Mass219.174
Monoisotopic Mass218.98376
SMILESO=[N+]([O-])c1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12)
InChIKeyJBGHTSSFSSUKLR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
4-nitrophenyl hydrogen sulfate (CHEBI:35422) has functional parent 4-nitrophenol (CHEBI:16836)
4-nitrophenyl hydrogen sulfate (CHEBI:35422) has role human metabolite (CHEBI:77746)
4-nitrophenyl hydrogen sulfate (CHEBI:35422) is a C-nitro compound (CHEBI:35716)
4-nitrophenyl hydrogen sulfate (CHEBI:35422) is a aryl sulfate (CHEBI:37919)
4-nitrophenyl hydrogen sulfate (CHEBI:35422) is conjugate acid of 4-nitrophenyl sulfate (CHEBI:140994)
Incoming Relation(s)
4-nitrophenyl sulfate (CHEBI:140994) is conjugate base of 4-nitrophenyl hydrogen sulfate (CHEBI:35422)
IUPAC Name 
4-nitrophenyl hydrogen sulfate
Synonyms  Source
4-nitrophenyl sulfateChemIDplus
para-nitrophenyl sulfateChemIDplus
p-nitrophenol sulfateChemIDplus
p-nitrophenyl sulfateChemIDplus
sulfuric acid mono(4-nitrophenyl) esterChemIDplus
Registry NumbersSources
CAS:1080-04-2ChemIDplus