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CHEBI:32635 - paracetamol sulfate

ChEBI IDCHEBI:32635
ChEBI Nameparacetamol sulfate
Stars
DefinitionAn aryl sulfate that is paracetamol in which the hydroxy group has been replaced by a sulfooxy group.
Last Modified7 October 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H9NO5S
Net Charge0
Average Mass231.229
Monoisotopic Mass231.02014
SMILESCC(=O)Nc1ccc(OS(=O)(=O)O)cc1
InChIInChI=1S/C8H9NO5S/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13)
InChIKeyIGTYILLPRJOVFY-UHFFFAOYSA-N
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
paracetamol sulfate (CHEBI:32635) has functional parent paracetamol (CHEBI:46195)
paracetamol sulfate (CHEBI:32635) has role drug metabolite (CHEBI:49103)
paracetamol sulfate (CHEBI:32635) is a acetamides (CHEBI:22160)
paracetamol sulfate (CHEBI:32635) is a aryl sulfate (CHEBI:37919)
Incoming Relation(s)
2-methoxyacetaminophen sulfate (CHEBI:82944) has functional parent paracetamol sulfate (CHEBI:32635)
4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate (CHEBI:82942) has functional parent paracetamol sulfate (CHEBI:32635)
IUPAC Name 
4-acetamidophenyl hydrogen sulfate
Synonyms  Source
acetaminophen sulfate esterChemIDplus
N-(4-(sulfooxy)phenyl)acetamideChemIDplus
N-acetyl-4-aminophenol sulfateChemIDplus
acetaminophen sulfateChemIDplus
4-acetaminophen sulfateChEBI
Registry NumbersSources
Beilstein:6457132Beilstein
Reaxys:3331457Reaxys
CAS:10066-90-7ChemIDplus
Citations