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CHEBI:82932 - 4-ethylphenyl sulfate

Default Structure
ChEBI IDCHEBI:82932
ChEBI Name4-ethylphenyl sulfate
Stars
DefinitionAn aryl sulfate that is 4-ethylphenol in which the hydroxy group has been replaced by a sulfooxy group.
Last Modified8 January 2021
Submitternamrata
DownloadsMolfile
FormulaC8H10O4S
Net Charge0
Average Mass202.231
Monoisotopic Mass202.02998
SMILESCCc1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C8H10O4S/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)
InChIKeyDWZGLEPNCRFCEP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (24349936)
Roles Classification
Biological Roles:
gut flora metabolite  Metabolites produced by the gut microbiota or microorganisms (e.g. bacteria and fungi) that live in the digestive tracts of animals.
uremic toxin  A toxin that accumulates in patients with chronic kidney disease.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
4-ethylphenyl sulfate (CHEBI:82932) has functional parent 4-ethylphenol (CHEBI:49584)
4-ethylphenyl sulfate (CHEBI:82932) has role gut flora metabolite (CHEBI:82933)
4-ethylphenyl sulfate (CHEBI:82932) has role human metabolite (CHEBI:77746)
4-ethylphenyl sulfate (CHEBI:82932) has role uremic toxin (CHEBI:64584)
4-ethylphenyl sulfate (CHEBI:82932) is a aryl sulfate (CHEBI:37919)
4-ethylphenyl sulfate (CHEBI:82932) is a benzenes (CHEBI:22712)
4-ethylphenyl sulfate (CHEBI:82932) is conjugate acid of 4-ethylphenyl sulfate(1−) (CHEBI:133681)
Incoming Relation(s)
4-ethylphenyl sulfate(1−) (CHEBI:133681) is conjugate base of 4-ethylphenyl sulfate (CHEBI:82932)
IUPAC Name 
4-ethylphenyl hydrogen sulfate
Registry NumbersSources
Reaxys:2450312Reaxys
Citations