CHEBI:35422 - 4-nitrophenyl hydrogen sulfate

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ChEBI Name 4-nitrophenyl hydrogen sulfate
ChEBI ID CHEBI:35422
Definition An aryl sulfate the mono 4-nitrophenyl ester of sulfuric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H5NO6S
Net Charge 0
Average Mass 219.17200
Monoisotopic Mass 218.98376
InChI InChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12)
InChIKey JBGHTSSFSSUKLR-UHFFFAOYSA-N
SMILES OS(=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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ChEBI Ontology
Outgoing 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 4-nitrophenyl sulfate (CHEBI:140994) is conjugate base of 4-nitrophenyl hydrogen sulfate (CHEBI:35422)
IUPAC Name
4-nitrophenyl hydrogen sulfate
Synonyms Sources
4-nitrophenyl sulfate
Note: (2018-06-11) Note that the names 4-nitrophenyl sulfate and p-nitrophenyl sulfate can also be used to mean the corresponding anion or to the diester, (ArO)2SO2, where Ar = 4-nitrophenyl.
 ChemIDplus
p-nitrophenol sulfate ChemIDplus
p-nitrophenyl sulfate ChemIDplus
para-nitrophenyl sulfate ChemIDplus
sulfuric acid mono(4-nitrophenyl) ester ChemIDplus
Registry Number Type Source
1080-04-2 CAS Registry Number ChemIDplus
Last Modified
11 June 2018