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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DefinitionAn aryl sulfate that is 4-ethylphenol in which the hydroxy group has been replaced by a sulfooxy group.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:
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 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