CHEBI:87582 - (4E)-hept-4-en-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4E)-hept-4-en-2-one
ChEBI ID CHEBI:87582
ChEBI ASCII Name (4E)-hept-4-en-2-one
Definition A methyl ketone heptan-2-one carrying a double bond at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H12O
Net Charge 0
Average Mass 112.16960
Monoisotopic Mass 112.08882
InChI InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h4-5H,3,6H2,1-2H3/b5-4+
InChIKey VQKIKHHXFHNXJT-SNAWJCMRSA-N
SMILES CC\C=C\CC(C)=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 (4E)-hept-4-en-2-one (CHEBI:87582) has role metabolite (CHEBI:25212)
(4E)-hept-4-en-2-one (CHEBI:87582) is a methyl ketone (CHEBI:51867)
(4E)-hept-4-en-2-one (CHEBI:87582) is a olefinic compound (CHEBI:78840)
IUPAC Name
(4E)-hept-4-en-2-one
Registry Numbers Types Sources
2497435 Reaxys Registry Number Reaxys
36678-43-0 CAS Registry Number NIST Chemistry WebBook
Last Modified
20 August 2015