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CHEBI:87363 - 4-oxopentanal

ChEBI IDCHEBI:87363
ChEBI Name4-oxopentanal
Stars
DefinitionA ketoaldehyde that is pentanal substituted by an oxo group at position 4.
Last Modified1 September 2015
Submitternamrata
DownloadsMolfile
FormulaC5H8O2
Net Charge0
Average Mass100.117
Monoisotopic Mass100.05243
SMILES[H]C(=O)CCC(C)=O
InChIInChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3
InChIKeyKEHNRUNQZGRQHU-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
4-oxopentanal (CHEBI:87363) has role metabolite (CHEBI:25212)
4-oxopentanal (CHEBI:87363) is a ketoaldehyde (CHEBI:24960)
IUPAC Name 
4-oxopentanal
Synonym  Source
1,4-pentanedioneChEBI
Registry NumbersSources
Reaxys:1742045Reaxys
CAS:626-96-0ChemIDplus