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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:
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(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