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CHEBI:66879 - 4-oxo-4-(pyridin-3-yl)butanal

ChEBI IDCHEBI:66879
ChEBI Name4-oxo-4-(pyridin-3-yl)butanal
Stars
DefinitionA member of the class of butanals that is succinic semialdehyde in which the hydroxy group of the carboxylic acid function is replaced by a pyridin-3-yl group.
Last Modified28 July 2014
SubmitterKAX
DownloadsMolfile
FormulaC9H9NO2
Net Charge0
Average Mass163.176
Monoisotopic Mass163.06333
SMILESO=CCCC(=O)c1cccnc1
InChIInChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2
InChIKeyCFONOJVUTZAMCB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-oxo-4-(pyridin-3-yl)butanal (CHEBI:66879) is a aromatic ketone (CHEBI:76224)
4-oxo-4-(pyridin-3-yl)butanal (CHEBI:66879) is a butanals (CHEBI:22939)
4-oxo-4-(pyridin-3-yl)butanal (CHEBI:66879) is a pyridines (CHEBI:26421)
Incoming Relation(s)
4-oxo-4-(pyridin-3-yl)butanoic acid (CHEBI:66951) has functional parent 4-oxo-4-(pyridin-3-yl)butanal (CHEBI:66879)
IUPAC Name 
4-oxo-4-(pyridin-3-yl)butanal
Synonyms  Source
3-succinoylsemialdehyde-pyridineSUBMITTER
4-oxo-4-pyridin-3-yl-butyraldehydeChEBI
4-(3-pyridyl)-4-oxobutyraldehydeChEBI
4-(3-pyridyl)-4-oxobutanalChEBI
4-oxo-4-(3-pyridyl)butanalChEBI
4-oxo-4-(3-pyridinebutanal)ChemIDplus
UniProt Name  Source
4-oxo-4-(pyridin-3-yl)butanalUniProt
Manual XrefsDatabases
CPD-14100MetaCyc
C19567KEGG COMPOUND
Registry NumbersSources
Reaxys:907964Reaxys
CAS:76014-80-7ChemIDplus
CAS:76014-80-7KEGG COMPOUND
Citations