CHEBI:141566 - 3-hexen-2-one

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ChEBI Name 3-hexen-2-one
ChEBI ID CHEBI:141566
Definition An enone that is hex-3-ene in which the methylene hydrogen atoms at position 2 have been replaced by an oxo group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C6H10O
Net Charge 0
Average Mass 98.143
Monoisotopic Mass 98.07316
InChI InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4-5H,3H2,1-2H3
InChIKey LPCWMYHBLXLJJQ-UHFFFAOYSA-N
SMILES CC(C(=C(CC)[H])[H])=O
Metabolite of Species Details
Citrus aurantiifolia (NCBI:txid159033) Found in fruit (BTO:0000486). Isolated from fruit peel See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 3-hexen-2-one (CHEBI:141566) has role plant metabolite (CHEBI:76924)
3-hexen-2-one (CHEBI:141566) is a enone (CHEBI:51689)
3-hexen-2-one (CHEBI:141566) is a methyl ketone (CHEBI:51867)
3-hexen-2-one (CHEBI:141566) is a volatile organic compound (CHEBI:134179)
IUPAC Name
hex-3-en-2-one
Synonyms Sources
1-butenyl methyl ketone ChemIDplus
3-Hexen-2-on ChEBI
3-hexene-2-one ChEBI
Hex-3-en-2-on ChEBI
hex-3-en-5-one ChEBI
methyl 1-butenyl ketone NIST Chemistry WebBook
methyl-α-butenyl-ketone ChEBI
Manual Xref Database
23255834 ChemSpider
View more database links
Registry Numbers Types Sources
1719970 Reaxys Registry Number Reaxys
763-93-9 CAS Registry Number NIST Chemistry WebBook
763-93-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22992784 PubMed citation Europe PMC
Last Modified
18 June 2019