p-cresol sulfate (CHEBI:82914)

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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Definition	An aryl sulfate that is p-cresol in which the phenolic hydrogen has been replaced by a sulfo group.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.

Supplier Information

Download	Molfile XML SDF

Formula

C7H8O4S

Net Charge

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.

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

Registry Number	Type	Source
2259968	Reaxys Registry Number	Reaxys

Last Modified

07 October 2016