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CHEBI:133562 - 2-acetamidophenol sulfate
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ChEBI Name
2-acetamidophenol sulfate
ChEBI ID
CHEBI:133562
Definition
An aromatic amide that is 2-aminophenol in which one of the amino hydrogens has been replaced by an acetyl group and the phenolic hydrogen replaced by a sulfo group.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
231.227
Monoisotopic Mass
231.02014
InChI
InChI=1S/C8H9NO5S/c1-6(10)9-7-4-2-3-5-8(7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)
InChIKey
JCVGTUVGDOWZJE-UHFFFAOYSA-N
SMILES
C=1C=CC=C(C1NC(C)=O)OS(O)(=O)=O
ChEBI Ontology
Outgoing
2-acetamidophenol sulfate (
CHEBI:133562
)
has functional parent
2-aminophenol (
CHEBI:18112
)
2-acetamidophenol sulfate (
CHEBI:133562
)
is a
acetamides (
CHEBI:22160
)
2-acetamidophenol sulfate (
CHEBI:133562
)
is a
aromatic amide (
CHEBI:62733
)
2-acetamidophenol sulfate (
CHEBI:133562
)
is a
aryl sulfate (
CHEBI:37919
)
2-acetamidophenol sulfate (
CHEBI:133562
)
is conjugate acid of
2-acetamidophenol sulfate(1−) (
CHEBI:133563
)
Incoming
2-acetamidophenol sulfate(1−) (
CHEBI:133563
)
is conjugate base of
2-acetamidophenol sulfate (
CHEBI:133562
)
IUPAC Name
2-acetamidophenyl hydrogen sulfate
Synonyms
Sources
2-acetamidophenyl sulfate
ChEBI
2-Hydroxyacetanilide sulfate
ChemIDplus
sulfuric acid mono-(2-acetylamino-phenyl ester)
ChEBI
Registry Numbers
Types
Sources
3329122
Reaxys Registry Number
Reaxys
40712-60-5
CAS Registry Number
ChemIDplus
Last Modified
03 October 2016