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CHEBI:87567 - 1-hepten-3-one

ChEBI IDCHEBI:87567
ChEBI Name1-hepten-3-one
Stars
DefinitionAn enone that is hept-1-ene substituted by an oxo group at position 3.
Last Modified19 August 2015
Submitternamrata
DownloadsMolfile
FormulaC7H12O
Net Charge0
Average Mass112.172
Monoisotopic Mass112.08882
SMILESC=CC(=O)CCCC
InChIInChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3
InChIKeyOYLCUJRJCUXQBQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Postia leucomallella (ncbitaxon:1046361) fruit body (BTO:0000487) PubMed (16356517)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
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  Source
vinyl butyl ketoneChEBI
n-butylacroleinChEBI
Registry NumbersSources
Reaxys:1700018Reaxys
CAS:2918-13-0ChemIDplus
CAS:2918-13-0NIST Chemistry WebBook
Citations