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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
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An enone that is hex-3-ene in which the methylene hydrogen atoms at position 2 have been replaced by an oxo group.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
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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.
View more via ChEBI Ontology
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
Type
Source
22992784
PubMed citation
Europe PMC
Last Modified
18 June 2019