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CHEBI:63817 - 4-acetamidosalicylate

ChEBI IDCHEBI:63817
ChEBI Name4-acetamidosalicylate
Stars
DefinitionAn amidobenzoate that is the conjugate base of 4-acetamidosalicylic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
Last Modified6 February 2012
SubmitterSteve
DownloadsMolfile
FormulaC9H8NO4
Net Charge-1
Average Mass194.166
Monoisotopic Mass194.04588
SMILESCC(=O)Nc1ccc(C(=O)[O-])c(O)c1
InChIInChI=1S/C9H9NO4/c1-5(11)10-6-2-3-7(9(13)14)8(12)4-6/h2-4,12H,1H3,(H,10,11)(H,13,14)/p-1
InChIKeyYBTVSGCNBZPRBD-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-acetamidosalicylate (CHEBI:63817) has functional parent 4-acetamidosalicylic acid (CHEBI:63816)
4-acetamidosalicylate (CHEBI:63817) is a amidobenzoate (CHEBI:61666)
4-acetamidosalicylate (CHEBI:63817) is a monohydroxybenzoate (CHEBI:25388)
IUPAC Name 
4-acetamido-2-hydroxybenzoate
Synonyms  Source
4-acetamidosalicylate(1−)ChEBI
N-acetyl-4-aminosalicyclateChEBI
N-acetyl-p-aminosalicyclateChEBI