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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:32635 - paracetamol sulfate
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ChEBI Name
paracetamol sulfate
ChEBI ID
CHEBI:32635
Definition
An aryl sulfate that is paracetamol in which the hydroxy group has been replaced by a sulfooxy group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H9NO5S
Net Charge
0
Average Mass
231.22680
Monoisotopic Mass
231.02014
InChI
InChI=1S/C8H9NO5S/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)
InChIKey
IGTYILLPRJOVFY-UHFFFAOYSA-N
SMILES
CC(=O)Nc1ccc(OS(O)(=O)=O)cc1
Roles Classification
Biological Role
(s):
drug metabolite
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
paracetamol sulfate (
CHEBI:32635
)
has functional parent
paracetamol (
CHEBI:46195
)
paracetamol sulfate (
CHEBI:32635
)
has role
drug metabolite (
CHEBI:49103
)
paracetamol sulfate (
CHEBI:32635
)
is a
acetamides (
CHEBI:22160
)
paracetamol sulfate (
CHEBI:32635
)
is a
aryl sulfate (
CHEBI:37919
)
Incoming
2-methoxyacetaminophen sulfate (
CHEBI:82944
)
has functional parent
paracetamol sulfate (
CHEBI:32635
)
4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate (
CHEBI:82942
)
has functional parent
paracetamol sulfate (
CHEBI:32635
)
IUPAC Name
4-acetamidophenyl hydrogen sulfate
Synonyms
Sources
4-acetaminophen sulfate
ChEBI
acetaminophen sulfate
ChemIDplus
acetaminophen sulfate ester
ChemIDplus
N
-(4-(sulfooxy)phenyl)acetamide
ChemIDplus
N
-acetyl-4-aminophenol sulfate
ChemIDplus
Registry Numbers
Types
Sources
10066-90-7
CAS Registry Number
ChemIDplus
3331457
Reaxys Registry Number
Reaxys
6457132
Beilstein Registry Number
Beilstein
Citations
Types
Sources
12831506
PubMed citation
Europe PMC
24401842
PubMed citation
Europe PMC
Last Modified
07 October 2016