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> Main
CHEBI:143237 - 2-
O
-sulfate-4-hydroxyacetophenone
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ChEBI Name
2-
O
-sulfate-4-hydroxyacetophenone
ChEBI ID
CHEBI:143237
ChEBI ASCII Name
2-O-sulfate-4-hydroxyacetophenone
Definition
An acetophenone substituted by a sulfooxy group at position 2 and by a hydroxy group at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
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Formula
C8H8O6S
Net Charge
0
Average Mass
232.210
Monoisotopic Mass
232.00416
InChI
InChI=1S/C8H8O6S/c1-5(9)7-3-2-6(10)4-8(7)14-15(11,12)13/h2-4,10H,1H3,(H,11,12,13)
InChIKey
COXWPCPYWFBNJH-UHFFFAOYSA-N
SMILES
O(C1=C(C=CC(O)=C1)C(=O)C)S(O)(=O)=O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Found in blood serum
(BTO:0000133)
. of strain C57BL/6J See:
MetaboLights Study
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-
O
-sulfate-4-hydroxyacetophenone (
CHEBI:143237
)
has role
mouse metabolite (
CHEBI:75771
)
2-
O
-sulfate-4-hydroxyacetophenone (
CHEBI:143237
)
is a
acetophenones (
CHEBI:22187
)
2-
O
-sulfate-4-hydroxyacetophenone (
CHEBI:143237
)
is a
aryl sulfate (
CHEBI:37919
)
2-
O
-sulfate-4-hydroxyacetophenone (
CHEBI:143237
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
2-acetyl-5-hydroxyphenyl hydrogen sulfate
Synonym
Source
2,4-dihydroxyacetophenone 5-sulfate
Note: (2019-08-08) Name not recommended since it is wrong and does not match structure, but widely used by other databases.
ChEBI
Manual Xrefs
Databases
10657183
Pubchem accession
FDB029801
FooDB
HMDB0041646
HMDB
View more database links
Last Modified
08 August 2019