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CHEBI:133502 - 2-methoxyacetaminophen sulfate(1−)

ChEBI IDCHEBI:133502
ChEBI Name2-methoxyacetaminophen sulfate(1−)
Stars
ASCII Name2-methoxyacetaminophen sulfate(1-)
DefinitionA phenyl sulfate oxoanion that is the conjugate base of 2-methoxyacetaminophen sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.
Last Modified4 April 2018
SubmitterSteve
DownloadsMolfile
FormulaC9H10NO6S
Net Charge-1
Average Mass260.247
Monoisotopic Mass260.02343
SMILESCOc1cc(OS(=O)(=O)[O-])ccc1NC(C)=O
InChIInChI=1S/C9H11NO6S/c1-6(11)10-8-4-3-7(5-9(8)15-2)16-17(12,13)14/h3-5H,1-2H3,(H,10,11)(H,12,13,14)/p-1
InChIKeyNZKKXAGORRATJB-UHFFFAOYSA-M
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
2-methoxyacetaminophen sulfate(1−) (CHEBI:133502) has role drug metabolite (CHEBI:49103)
2-methoxyacetaminophen sulfate(1−) (CHEBI:133502) is a phenyl sulfate oxoanion (CHEBI:140317)
2-methoxyacetaminophen sulfate(1−) (CHEBI:133502) is conjugate base of 2-methoxyacetaminophen sulfate (CHEBI:82944)
Incoming Relation(s)
2-methoxyacetaminophen sulfate (CHEBI:82944) is conjugate acid of 2-methoxyacetaminophen sulfate(1−) (CHEBI:133502)
IUPAC Name 
4-acetamido-3-methoxyphenyl sulfate
Synonym  Source
2-methoxyacetaminophen sulfate anionChEBI