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

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ChEBI Name	4-ethylphenyl sulfate(1−)

ChEBI ID	CHEBI:133681

ChEBI ASCII Name	4-ethylphenyl sulfate(1-)

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H9O4S

Net Charge

-1

Average Mass

201.221

Monoisotopic Mass

201.02270

InChI

InChI=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

InChIKey

DWZGLEPNCRFCEP-UHFFFAOYSA-M

SMILES

C=1C=C(C=CC1OS([O-])(=O)=O)CC

Roles Classification
Biological Role(s):	gut flora metabolite Metabolites produced by the gut microbiota or microorganisms (e.g. bacteria and fungi) that live in the digestive tracts of animals. 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.

ChEBI Ontology
Outgoing	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	4-ethylphenyl sulfate (CHEBI:82932) is conjugate acid of 4-ethylphenyl sulfate(1−) (CHEBI:133681)

IUPAC Name

4-ethylphenyl sulfate

Last Modified

21 February 2022