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ChEBI
> Main
CHEBI:82914 -
p
-cresol sulfate
Main
ChEBI Ontology
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ChEBI Name
p
-cresol sulfate
ChEBI ID
CHEBI:82914
ChEBI ASCII Name
p-cresol sulfate
Definition
An aryl sulfate that is
p
-cresol in which the phenolic hydrogen has been replaced by a sulfo group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H8O4S
Net Charge
0
Average Mass
188.20100
Monoisotopic Mass
188.01433
InChI
InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKey
WGNAKZGUSRVWRH-UHFFFAOYSA-N
SMILES
Cc1ccc(OS(O)(=O)=O)cc1
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
uremic toxin
A toxin that accumulates in patients with chronic kidney disease.
gut flora metabolite
Metabolites produced by the gut microbiota or microorganisms (e.g. bacteria and fungi) that live in the digestive tracts of animals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
p
-cresol sulfate (
CHEBI:82914
)
has functional parent
p
-cresol (
CHEBI:17847
)
p
-cresol sulfate (
CHEBI:82914
)
has role
gut flora metabolite (
CHEBI:82933
)
p
-cresol sulfate (
CHEBI:82914
)
has role
human metabolite (
CHEBI:77746
)
p
-cresol sulfate (
CHEBI:82914
)
has role
uremic toxin (
CHEBI:64584
)
p
-cresol sulfate (
CHEBI:82914
)
is a
aryl sulfate (
CHEBI:37919
)
p
-cresol sulfate (
CHEBI:82914
)
is conjugate acid of
p
-cresol sulfate(1−) (
CHEBI:133670
)
Incoming
p
-cresol sulfate(1−) (
CHEBI:133670
)
is conjugate base of
p
-cresol sulfate (
CHEBI:82914
)
IUPAC Name
4-methylphenyl hydrogen sulfate
Synonyms
Sources
4-cresol sulfate
ChEBI
sulfuric acid mono-
p
-tolyl ester
ChEBI
Manual Xref
Database
HMDB0011635
HMDB
View more database links
Registry Number
Type
Source
2259968
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10775436
PubMed citation
Europe PMC
18941347
PubMed citation
Europe PMC
21751871
PubMed citation
Europe PMC
24231664
PubMed citation
Europe PMC
25147155
PubMed citation
Europe PMC
Last Modified
07 October 2016