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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:133670 -
p
-cresol sulfate(1−)
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ChEBI Name
p
-cresol sulfate(1−)
ChEBI ID
CHEBI:133670
ChEBI ASCII Name
p-cresol sulfate(1-)
Definition
A phenyl sulfate oxoanion that is the conjugate base of
p
-cresol sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H7O4S
Net Charge
-1
Average Mass
187.194
Monoisotopic Mass
187.00705
InChI
InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)/p-1
InChIKey
WGNAKZGUSRVWRH-UHFFFAOYSA-M
SMILES
C=1(C=CC(OS([O-])(=O)=O)=CC1)C
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(1−) (
CHEBI:133670
)
has role
gut flora metabolite (
CHEBI:82933
)
p
-cresol sulfate(1−) (
CHEBI:133670
)
has role
human metabolite (
CHEBI:77746
)
p
-cresol sulfate(1−) (
CHEBI:133670
)
has role
uremic toxin (
CHEBI:64584
)
p
-cresol sulfate(1−) (
CHEBI:133670
)
is a
phenyl sulfate oxoanion (
CHEBI:140317
)
p
-cresol sulfate(1−) (
CHEBI:133670
)
is conjugate base of
p
-cresol sulfate (
CHEBI:82914
)
Incoming
p
-cresol sulfate (
CHEBI:82914
)
is conjugate acid of
p
-cresol sulfate(1−) (
CHEBI:133670
)
IUPAC Name
4-methylphenyl sulfate
Synonyms
Sources
4-tolyl sulfate(1−)
ChEBI
p
-cresol sulfate
ChEBI
p
-cresyl sulfate(1−)
ChEBI
p
-tolyl sulfate(1−)
ChEBI
para
-cresol sulfate(1−)
ChEBI
para
-cresyl sulfate(1−)
ChEBI
para
-tolyl sulfate(1−)
ChEBI
Registry Number
Type
Source
3668793
Reaxys Registry Number
Reaxys
Last Modified
04 April 2018