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CHEBI:87508 - 4-penten-2-one

Default Structure
ChEBI IDCHEBI:87508
ChEBI Name4-penten-2-one
Stars
DefinitionA methyl ketone that is pent-1-ene substituted by an oxo group at position 4.
Last Modified17 August 2015
Submitternamrata
DownloadsMolfile
FormulaC5H8O
Net Charge0
Average Mass84.118
Monoisotopic Mass84.05751
SMILESC=CCC(C)=O
InChIInChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3
InChIKeyPNJWIWWMYCMZRO-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-penten-2-one (CHEBI:87508) has role metabolite (CHEBI:25212)
4-penten-2-one (CHEBI:87508) is a methyl ketone (CHEBI:51867)
4-penten-2-one (CHEBI:87508) is a olefinic compound (CHEBI:78840)
IUPAC Name 
pent-4-en-2-one
Manual XrefsDatabases
HMDB0031606HMDB
Registry NumbersSources
Reaxys:1098406Reaxys
CAS:13891-87-7ChemIDplus
Citations