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CHEBI:133005 - 2-methoxyacetaminophen glucuronide

ChEBI IDCHEBI:133005
ChEBI Name2-methoxyacetaminophen glucuronide
Stars
DefinitionA β-D-glucosiduronic acid that is 2-methoxyacetaminophen in which the phenolic hydrogen is replaced by a β-D-glucuronosyl group.
Last Modified12 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC15H19NO9
Net Charge0
Average Mass357.315
Monoisotopic Mass357.10598
SMILESCOc1cc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)ccc1NC(C)=O
InChIInChI=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
InChIKeyGDCCQRYSPGZVPX-DKBOKBLXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (4850385)
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
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 acetamides (CHEBI:22160)
2-methoxyacetaminophen glucuronide (CHEBI:133005) is a monomethoxybenzene (CHEBI:25235)
2-methoxyacetaminophen glucuronide (CHEBI:133005) is a β-D-glucosiduronic acid (CHEBI:15341)
2-methoxyacetaminophen glucuronide (CHEBI:133005) is conjugate acid of 2-methoxyacetaminophen glucuronide(1−) (CHEBI:133006)
Incoming Relation(s)
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  Source
2-methoxyacetaminophen β-D-glucuronideChEBI
2-methoxyacetaminophen O-β-D-glucosiduronic acidChEBI
Citations