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CHEBI:133006 - 2-methoxyacetaminophen glucuronide(1−)

ChEBI IDCHEBI:133006
ChEBI Name2-methoxyacetaminophen glucuronide(1−)
Stars
ASCII Name2-methoxyacetaminophen glucuronide(1-)
DefinitionA β-D-glucosiduronate that is the conjugate base of 2-methoxyacetaminophen glucuronide, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified12 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC15H18NO9
Net Charge-1
Average Mass356.307
Monoisotopic Mass356.09870
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)/p-1/t10-,11-,12+,13-,15+/m0/s1
InChIKeyGDCCQRYSPGZVPX-DKBOKBLXSA-M
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
2-methoxyacetaminophen glucuronide(1−) (CHEBI:133006) has role drug metabolite (CHEBI:49103)
2-methoxyacetaminophen glucuronide(1−) (CHEBI:133006) is a β-D-glucosiduronate (CHEBI:83411)
2-methoxyacetaminophen glucuronide(1−) (CHEBI:133006) is conjugate base of 2-methoxyacetaminophen glucuronide (CHEBI:133005)
Incoming Relation(s)
2-methoxyacetaminophen glucuronide (CHEBI:133005) is conjugate acid of 2-methoxyacetaminophen glucuronide(1−) (CHEBI:133006)
IUPAC Name 
4-acetamido-3-methoxyphenyl β-D-glucopyranosiduronate
Synonyms  Source
2-methoxyacetaminophen β-D-glucuronide(1−)ChEBI
2-methoxyacetaminophen O-β-D-glucosiduronateChEBI