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CHEBI:82944 - 2-methoxyacetaminophen sulfate

ChEBI IDCHEBI:82944
ChEBI Name2-methoxyacetaminophen sulfate
Stars
DefinitionA member of the class of acetamides that is paracetamol sulfate substituted by a methoxy group at position 3.
Last Modified29 September 2016
Submitternamrata
DownloadsMolfile
FormulaC9H11NO6S
Net Charge0
Average Mass261.255
Monoisotopic Mass261.03071
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)
InChIKeyNZKKXAGORRATJB-UHFFFAOYSA-N
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
2-methoxyacetaminophen sulfate (CHEBI:82944) has functional parent paracetamol sulfate (CHEBI:32635)
2-methoxyacetaminophen sulfate (CHEBI:82944) has role drug metabolite (CHEBI:49103)
2-methoxyacetaminophen sulfate (CHEBI:82944) is a acetamides (CHEBI:22160)
2-methoxyacetaminophen sulfate (CHEBI:82944) is a aryl sulfate (CHEBI:37919)
2-methoxyacetaminophen sulfate (CHEBI:82944) is a monomethoxybenzene (CHEBI:25235)
2-methoxyacetaminophen sulfate (CHEBI:82944) is conjugate acid of 2-methoxyacetaminophen sulfate(1−) (CHEBI:133502)
Incoming Relation(s)
2-methoxyacetaminophen sulfate(1−) (CHEBI:133502) is conjugate base of 2-methoxyacetaminophen sulfate (CHEBI:82944)
IUPAC Name 
4-acetamido-3-methoxyphenyl hydrogen sulfate
Synonym  Source
4-(acetylamino)-3-methoxyphenyl hydrogen sulfateChEBI
Citations