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CHEBI:66942 - 4-oxo-4-(pyridin-3-yl)butanoate

ChEBI IDCHEBI:66942
ChEBI Name4-oxo-4-(pyridin-3-yl)butanoate
Stars
DefinitionA carboxylic acid anion resulting from the removal of a proton from the carboxy group of 4-oxo-4-(pyridin-3-yl)butanoic acid. The major species at pH 7.3.
Last Modified3 August 2012
SubmitterKAX
DownloadsMolfile
FormulaC9H8NO3
Net Charge-1
Average Mass178.167
Monoisotopic Mass178.05097
SMILESO=C([O-])CCC(=O)c1cccnc1
InChIInChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)/p-1
InChIKeyJGSUNMCABQUBOY-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-oxo-4-(pyridin-3-yl)butanoate (CHEBI:66942) is a carboxylic acid anion (CHEBI:29067)
4-oxo-4-(pyridin-3-yl)butanoate (CHEBI:66942) is conjugate base of 4-oxo-4-(pyridin-3-yl)butanoic acid (CHEBI:66951)
Incoming Relation(s)
4-oxo-4-(pyridin-3-yl)butanoic acid (CHEBI:66951) is conjugate acid of 4-oxo-4-(pyridin-3-yl)butanoate (CHEBI:66942)
UniProt Name  Source
4-oxo-4-(pyridin-3-yl)butanoateUniProt
Manual XrefsDatabases
CPD-14094MetaCyc
HMDB0000992HMDB
Citations