CHEBI:43355 - indoxyl sulfate

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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.
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Formula C8H7NO4S
Net Charge 0
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:txidtxid9606) See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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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
Synonyms Sources
3-indolyl hydrogen sulfate ChEBI
3-indolyl sulfate ChEBI
3-Indoxyl sulfate ChemIDplus
3-Indoxylsulfuric acid ChemIDplus
Indican ChemIDplus
indol-3-yl hydrogen sulfate ChEBI
Indol-3-yl sulfate HMDB
indol-3-yl sulphate HMDB
Indoxyl sulfic acid HMDB
indoxyl sulphate ChEBI
indoxyl-3-sulphate ChEBI
Indoxylsulfuric acid ChemIDplus
Manual Xrefs Databases
HMDB0000682 HMDB
IOS PDBeChem
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Registry Numbers Types Sources
188887 Reaxys Registry Number Reaxys
487-94-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
20 April 2018