CHEBI:32635 - paracetamol sulfate

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ChEBI Name paracetamol sulfate ChEBI ID CHEBI:32635 Definition An aryl sulfate that is paracetamol in which the hydroxy group has been replaced by a sulfooxy group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H9NO5S Net Charge 0 Average Mass 231.22680 Monoisotopic Mass 231.02014 InChI InChI=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) InChIKey IGTYILLPRJOVFY-UHFFFAOYSA-N SMILES CC(=O)Nc1ccc(OS(O)(=O)=O)cc1 Roles Classification Biological Role(s): drug metabolite View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources 4-acetaminophen sulfate ChEBI acetaminophen sulfate ChemIDplus acetaminophen sulfate ester ChemIDplus N-(4-(sulfooxy)phenyl)acetamide ChemIDplus N-acetyl-4-aminophenol sulfate ChemIDplus Registry Numbers Types Sources 10066-90-7 CAS Registry Number ChemIDplus 3331457 Reaxys Registry Number Reaxys 6457132 Beilstein Registry Number Beilstein Citations Types Sources 12831506 PubMed citation Europe PMC 24401842 PubMed citation Europe PMC Last Modified 07 October 2016