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CHEBI:133687 - 4-(acetylamino)-3-hydroxyphenyl sulfate

Default Structure
ChEBI IDCHEBI:133687
ChEBI Name4-(acetylamino)-3-hydroxyphenyl sulfate
Stars
DefinitionA phenyl sulfate oxoanion that is the conjugate base of 4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3.
Last Modified4 April 2018
Submitterjjtluanloet
DownloadsMolfile
FormulaC8H8NO6S
Net Charge-1
Average Mass246.220
Monoisotopic Mass246.00778
SMILESCC(=O)Nc1ccc(OS(=O)(=O)[O-])cc1O
InChIInChI=1S/C8H9NO6S/c1-5(10)9-7-3-2-6(4-8(7)11)15-16(12,13)14/h2-4,11H,1H3,(H,9,10)(H,12,13,14)/p-1
InChIKeyHRLQZTOIKWEZBN-UHFFFAOYSA-M
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
4-(acetylamino)-3-hydroxyphenyl sulfate (CHEBI:133687) has role drug metabolite (CHEBI:49103)
4-(acetylamino)-3-hydroxyphenyl sulfate (CHEBI:133687) is a phenyl sulfate oxoanion (CHEBI:140317)
4-(acetylamino)-3-hydroxyphenyl sulfate (CHEBI:133687) is conjugate base of 4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate (CHEBI:82942)
Incoming Relation(s)
4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate (CHEBI:82942) is conjugate acid of 4-(acetylamino)-3-hydroxyphenyl sulfate (CHEBI:133687)
IUPAC Name 
4-acetamido-3-hydroxyphenyl sulfate
Synonym  Source
2-hydroxyacetaminophen sulfateChEBI