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CHEBI:43355 - indoxyl sulfate

ChEBI IDCHEBI:43355
ChEBI Nameindoxyl sulfate
Stars
DefinitionAn aryl sulfate that is indoxyl in which the hydroxyl hydrogen is substituted by a sulfo group.
Last Modified20 April 2018
DownloadsMolfile
FormulaC8H7NO4S
Net Charge0
Average Mass213.214
Monoisotopic Mass213.00958
SMILESO=S(=O)(O)Oc1cnc2ccccc12
InChIInChI=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)
InChIKeyBXFFHSIDQOFMLE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (10681668)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
indoxyl sulfate(1−) (CHEBI:144643) is conjugate base of indoxyl sulfate (CHEBI:43355)
IUPAC Name 
1H-indol-3-yl hydrogen sulfate
Synonyms  Source
3-indolyl sulfateChEBI
indoxyl sulphateChEBI
IndicanChemIDplus
3-Indoxyl sulfateChemIDplus
Indoxylsulfuric acidChemIDplus
3-Indoxylsulfuric acidChemIDplus
Manual XrefsDatabases
IOSPDBeChem
HMDB0000682HMDB
Registry NumbersSources
Reaxys:188887Reaxys
CAS:487-94-5ChemIDplus
Citations