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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:89801 - 4-hexen-3-one
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ChEBI Ontology
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ChEBI Name
4-hexen-3-one
ChEBI ID
CHEBI:89801
Definition
An enone that is hex-2-ene in which the two methylene hydrogens at position 4 have been replaced by an oxo group.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C6H10O
Net Charge
0
Average Mass
98.145
Monoisotopic Mass
98.07316
InChI
InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3
InChIKey
FEWIGMWODIRUJM-UHFFFAOYSA-N
SMILES
[H]C(C)=C([H])C(=O)CC
Metabolite of Species
Details
Citrus aurantiifolia
(NCBI:txid159033)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
Roles Classification
Biological Role
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
Application
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-hexen-3-one (
CHEBI:89801
)
has role
flavouring agent (
CHEBI:35617
)
4-hexen-3-one (
CHEBI:89801
)
has role
human metabolite (
CHEBI:77746
)
4-hexen-3-one (
CHEBI:89801
)
has role
plant metabolite (
CHEBI:76924
)
4-hexen-3-one (
CHEBI:89801
)
is a
enone (
CHEBI:51689
)
Incoming
(
E
)-4-hexen-3-one (
CHEBI:183229
)
is a
4-hexen-3-one (
CHEBI:89801
)
(
Z
)-4-hexen-3-one (
CHEBI:183230
)
is a
4-hexen-3-one (
CHEBI:89801
)
IUPAC Name
hex-4-en-3-one
Synonyms
Sources
2-hexen-4-one
ChemIDplus
2-hexene-4-one
ChemIDplus
4-hexene-3-one
ChemIDplus
ethyl 1-propenyl ketone
ChEBI
FEMA 3352
ChemIDplus
Manual Xrefs
Databases
FDB013898
FooDB
HMDB0035239
HMDB
View more database links
Registry Numbers
Types
Sources
2497-21-4
CAS Registry Number
NIST Chemistry WebBook
2497-21-4
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22272978
PubMed citation
Europe PMC
22992784
PubMed citation
Europe PMC
23454028
PubMed citation
Europe PMC
29942354
PubMed citation
Europe PMC
32653185
PubMed citation
Europe PMC
Last Modified
04 November 2021