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CHEBI:133681 - 4-ethylphenyl sulfate(1−)

Default Structure
ChEBI IDCHEBI:133681
ChEBI Name4-ethylphenyl sulfate(1−)
Stars
ASCII Name4-ethylphenyl sulfate(1-)
DefinitionA phenyl sulfate oxoanion that is the conjugate base of 4-ethylphenyl sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3.
Last Modified21 February 2022
Submitterjjtluanloet
DownloadsMolfile
FormulaC8H9O4S
Net Charge-1
Average Mass201.223
Monoisotopic Mass201.02270
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)/p-1
InChIKeyDWZGLEPNCRFCEP-UHFFFAOYSA-M
Roles Classification
Biological Roles:
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).
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(1−) (CHEBI:133681) has role gut flora metabolite (CHEBI:82933)
4-ethylphenyl sulfate(1−) (CHEBI:133681) has role human metabolite (CHEBI:77746)
4-ethylphenyl sulfate(1−) (CHEBI:133681) has role uremic toxin (CHEBI:64584)
4-ethylphenyl sulfate(1−) (CHEBI:133681) is a phenyl sulfate oxoanion (CHEBI:140317)
4-ethylphenyl sulfate(1−) (CHEBI:133681) is conjugate base of 4-ethylphenyl sulfate (CHEBI:82932)
Incoming Relation(s)
4-ethylphenyl sulfate (CHEBI:82932) is conjugate acid of 4-ethylphenyl sulfate(1−) (CHEBI:133681)
IUPAC Name 
4-ethylphenyl sulfate
Synonyms  Source
para-ethylphenyl sulfate(1−)ChEBI
p-ethylphenyl sulfate(1−)ChEBI
UniProt Name  Source
4-ethylphenyl sulfateUniProt