CHEBI:87581 - 7-octen-2-one

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ChEBI Name 7-octen-2-one
ChEBI ID CHEBI:87581
Definition An methyl ketone that is octan-2-one carrying a double bond at position 7.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H14O
Net Charge 0
Average Mass 126.19620
Monoisotopic Mass 126.10447
InChI InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h3H,1,4-7H2,2H3
InChIKey RXHCEQYNSQNEOK-UHFFFAOYSA-N
SMILES CC(=O)CCCCC=C
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.
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ChEBI Ontology
Outgoing 7-octen-2-one (CHEBI:87581) has role metabolite (CHEBI:25212)
7-octen-2-one (CHEBI:87581) is a methyl ketone (CHEBI:51867)
7-octen-2-one (CHEBI:87581) is a olefinic compound (CHEBI:78840)
IUPAC Name
oct-7-en-2-one
Registry Numbers Types Sources
1743861 Reaxys Registry Number Reaxys
3664-60-6 CAS Registry Number ChemIDplus
3664-60-6 CAS Registry Number NIST Chemistry WebBook
Last Modified
20 August 2015