CHEBI:144643 - indoxyl sulfate(1−)

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ChEBI Name indoxyl sulfate(1−)
ChEBI ID CHEBI:144643
ChEBI ASCII Name indoxyl sulfate(1-)
Definition An aryl sulfate oxoanion that is the conjugate base of indoxyl sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
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Formula C8H6NO4S
Net Charge -1
Average Mass 212.200
Monoisotopic Mass 212.00230
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)/p-1
InChIKey BXFFHSIDQOFMLE-UHFFFAOYSA-M
SMILES C=1C=CC=C2NC=C(C12)OS(=O)(=O)[O-]
ChEBI Ontology
Outgoing indoxyl sulfate(1−) (CHEBI:144643) is a aryl sulfate oxoanion (CHEBI:139371)
indoxyl sulfate(1−) (CHEBI:144643) is conjugate base of indoxyl sulfate (CHEBI:43355)
Incoming indoxyl sulfate (CHEBI:43355) is conjugate acid of indoxyl sulfate(1−) (CHEBI:144643)
IUPAC Name
1H-indol-3-yl sulfate
Synonym Source
indoxyl sulfate UniProt
Manual Xref Database
CPD-16817 MetaCyc
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Last Modified
12 September 2019