CHEBI:32636 - acetaminophen O-β-D-glucosiduronic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name acetaminophen O-β-D-glucosiduronic acid
ChEBI ID CHEBI:32636
ChEBI ASCII Name acetaminophen O-beta-D-glucosiduronic acid
Definition A β-D-glucosiduronic acid that is the O-glucuronide of paracetamol (acetaminophen).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H17NO8
Net Charge 0
Average Mass 327.28672
Monoisotopic Mass 327.09542
InChI InChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
InChIKey IPROLSVTVHAQLE-BYNIDDHOSA-N
SMILES CC(=O)Nc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1
Roles Classification
Biological Role(s): drug metabolite

View more via ChEBI Ontology
ChEBI Ontology
Outgoing acetaminophen O-β-D-glucosiduronic acid (CHEBI:32636) has functional parent β-D-glucuronic acid (CHEBI:28860)
acetaminophen O-β-D-glucosiduronic acid (CHEBI:32636) has functional parent paracetamol (CHEBI:46195)
acetaminophen O-β-D-glucosiduronic acid (CHEBI:32636) has role drug metabolite (CHEBI:49103)
acetaminophen O-β-D-glucosiduronic acid (CHEBI:32636) is a β-D-glucosiduronic acid (CHEBI:15341)
acetaminophen O-β-D-glucosiduronic acid (CHEBI:32636) is conjugate acid of acetaminophen O-β-D-glucosiduronate (CHEBI:132962)
Incoming acetaminophen O-β-D-glucosiduronate (CHEBI:132962) is conjugate base of acetaminophen O-β-D-glucosiduronic acid (CHEBI:32636)
IUPAC Name
4-acetamidophenyl β-D-glucopyranosiduronic acid
Synonyms Sources
Acetaminophen glucuronide ChemIDplus
Paracetamol glucuronide ChemIDplus
Manual Xref Database
HMDB0010316 HMDB
View more database links
Registry Numbers Types Sources
16110-10-4 CAS Registry Number ChemIDplus
46644 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
12 August 2016