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CHEBI:82942 - 4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate

ChEBI IDCHEBI:82942
ChEBI Name4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate
Stars
DefinitionAn aryl sulfate that is the 3-hydroxy derivative of paracetamol sulfate.
Last Modified13 October 2016
Submitternamrata
DownloadsMolfile
FormulaC8H9NO6S
Net Charge0
Average Mass247.228
Monoisotopic Mass247.01506
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)
InChIKeyHRLQZTOIKWEZBN-UHFFFAOYSA-N
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate (CHEBI:82942) has functional parent paracetamol sulfate (CHEBI:32635)
4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate (CHEBI:82942) has role drug metabolite (CHEBI:49103)
4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate (CHEBI:82942) is a acetamides (CHEBI:22160)
4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate (CHEBI:82942) is a aryl sulfate (CHEBI:37919)
4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate (CHEBI:82942) is a phenols (CHEBI:33853)
4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate (CHEBI:82942) is conjugate acid of 4-(acetylamino)-3-hydroxyphenyl sulfate (CHEBI:133687)
Incoming Relation(s)
4-(acetylamino)-3-hydroxyphenyl sulfate (CHEBI:133687) is conjugate base of 4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate (CHEBI:82942)
IUPAC Name 
4-acetamido-3-hydroxyphenyl hydrogen sulfate
Synonym  Source
2-hydroxyacetaminophen sulfateChEBI
Citations