CHEBI:82914 - p-cresol sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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Definition An aryl sulfate that is p-cresol in which the phenolic hydrogen has been replaced by a sulfo group.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 0
Average Mass 188.20100
Monoisotopic Mass 188.014
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 Waiting for 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