CHEBI:87567 - 1-hepten-3-one

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ChEBI Name 1-hepten-3-one
ChEBI ID CHEBI:87567
Definition An enone that is hept-1-ene substituted by an oxo group at position 3.
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 112.089
InChI InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3
InChIKey OYLCUJRJCUXQBQ-UHFFFAOYSA-N
SMILES CCCCC(=O)C=C
Metabolite of Species Details
Postia leucomallella (NCBI:txid1046361) Found in fruit body (BTO:0000487). See: PubMed
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-hepten-3-one (CHEBI:87567) has role fungal metabolite (CHEBI:76946)
1-hepten-3-one (CHEBI:87567) is a enone (CHEBI:51689)
IUPAC Name
hept-1-en-3-one
Synonyms Sources
n-butylacrolein ChEBI
vinyl butyl ketone ChEBI
Registry Numbers Types Sources
1700018 Reaxys Registry Number Reaxys
2918-13-0 CAS Registry Number NIST Chemistry WebBook
2918-13-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
16356517 PubMed citation Europe PMC
24193576 PubMed citation Europe PMC
Last Modified
19 August 2015