CHEBI:87363 - 4-oxopentanal

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ChEBI Name 4-oxopentanal
ChEBI ID CHEBI:87363
Definition A ketoaldehyde that is pentanal substituted by an oxo group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H8O2
Net Charge 0
Average Mass 100.11580
Monoisotopic Mass 100.05243
InChI InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3
InChIKey KEHNRUNQZGRQHU-UHFFFAOYSA-N
SMILES CC(=O)CCC=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-pentanedione ChEBI
Registry Numbers Types Sources
1742045 Reaxys Registry Number Reaxys
626-96-0 CAS Registry Number ChemIDplus
Last Modified
01 September 2015