indoxyl sulfate (CHEBI:43355)

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ChEBI Name	indoxyl sulfate

ChEBI ID	CHEBI:43355

Definition	An aryl sulfate that is indoxyl in which the hydroxyl hydrogen is substituted by a sulfo group.

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

Supplier Information

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Formula

C8H7NO4S

Net Charge

Average Mass

213.21000

Monoisotopic Mass

213.00958

InChI

InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)

InChIKey

BXFFHSIDQOFMLE-UHFFFAOYSA-N

SMILES

OS(=O)(=O)Oc1c[nH]c2ccccc12

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: PubMed

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	indoxyl sulfate (CHEBI:43355) has functional parent indoxyl (CHEBI:17840) indoxyl sulfate (CHEBI:43355) has role human metabolite (CHEBI:77746) indoxyl sulfate (CHEBI:43355) is a aryl sulfate (CHEBI:37919) indoxyl sulfate (CHEBI:43355) is a indoles (CHEBI:24828) indoxyl sulfate (CHEBI:43355) is conjugate acid of indoxyl sulfate(1−) (CHEBI:144643)

Incoming	indoxyl sulfate(1−) (CHEBI:144643) is conjugate base of indoxyl sulfate (CHEBI:43355)

IUPAC Name

1H-indol-3-yl hydrogen sulfate

Last Modified

20 April 2018