CHEBI:133005 - 2-methoxyacetaminophen glucuronide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-methoxyacetaminophen glucuronide
ChEBI ID CHEBI:133005
Definition A β-D-glucosiduronic acid that is 2-methoxyacetaminophen in which the phenolic hydrogen is replaced by a β-D-glucuronosyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H19NO9
Net Charge 0
Average Mass 357.313
Monoisotopic Mass 357.10598
InChI InChI=1S/C15H19NO9/c1-6(17)16-8-4-3-7(5-9(8)23-2)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h3-5,10-13,15,18-20H,1-2H3,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1
InChIKey GDCCQRYSPGZVPX-DKBOKBLXSA-N
SMILES C=1(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)C=CC(=C(C1)OC)NC(C)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): drug metabolite

View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-methoxyacetaminophen glucuronide (CHEBI:133005) has functional parent paracetamol (CHEBI:46195)
2-methoxyacetaminophen glucuronide (CHEBI:133005) has role drug metabolite (CHEBI:49103)
2-methoxyacetaminophen glucuronide (CHEBI:133005) is a β-D-glucosiduronic acid (CHEBI:15341)
2-methoxyacetaminophen glucuronide (CHEBI:133005) is a acetamides (CHEBI:22160)
2-methoxyacetaminophen glucuronide (CHEBI:133005) is a monomethoxybenzene (CHEBI:25235)
2-methoxyacetaminophen glucuronide (CHEBI:133005) is conjugate acid of 2-methoxyacetaminophen glucuronide(1−) (CHEBI:133006)
Incoming 2-methoxyacetaminophen glucuronide(1−) (CHEBI:133006) is conjugate base of 2-methoxyacetaminophen glucuronide (CHEBI:133005)
IUPAC Name
4-acetamido-3-methoxyphenyl β-D-glucopyranosiduronic acid
Synonyms Sources
2-methoxyacetaminophen β-D-glucuronide ChEBI
2-methoxyacetaminophen O-β-D-glucosiduronic acid ChEBI
Citation Waiting for Citations Type Source
4850385 PubMed citation Europe PMC
Last Modified
12 August 2016