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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:89945 - 1-penten-3-one
Main
ChEBI Ontology
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ChEBI Name
1-penten-3-one
ChEBI ID
CHEBI:89945
Definition
An enone that is pent-1-ene substituted by an oxo group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C5H8O
Net Charge
0
Average Mass
84.118
Monoisotopic Mass
84.05751
InChI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InChIKey
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Metabolite of Species
Details
Olea europaea
(NCBI:txid4146)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in saliva
(UBERON:0001836)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
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.
genotoxin
A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells.
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
1-penten-3-one (
CHEBI:89945
)
has role
flavouring agent (
CHEBI:35617
)
1-penten-3-one (
CHEBI:89945
)
has role
genotoxin (
CHEBI:50902
)
1-penten-3-one (
CHEBI:89945
)
has role
human metabolite (
CHEBI:77746
)
1-penten-3-one (
CHEBI:89945
)
has role
plant metabolite (
CHEBI:76924
)
1-penten-3-one (
CHEBI:89945
)
is a
enone (
CHEBI:51689
)
IUPAC Name
pent-1-en-3-one
Synonyms
Sources
1-penten-3-one
ChemIDplus
1-pentene-3-one
ChemIDplus
4-penten-3-one
HMDB
C
2
H
5
COCH=CH
2
NIST Chemistry WebBook
ethyl vinyl ketone
ChemIDplus
ethylvinyl ketone
ChemIDplus
ethylvinylketone
ChemIDplus
FEMA 3382
ChemIDplus
pent-1-en-3-one
UniProt
penten-3-one
HMDB
pentenone
ChemIDplus
propionylethylene
HMDB
vinyl ethyl ketone
HMDB
Manual Xrefs
Databases
14653
ChemSpider
C00035785
KNApSAcK
CPD-13218
MetaCyc
FDB008243
FooDB
HMDB0031607
HMDB
LMFA12000069
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1629-58-9
CAS Registry Number
NIST Chemistry WebBook
1629-58-9
CAS Registry Number
ChemIDplus
1735857
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11498798
PubMed citation
Europe PMC
1912300
PubMed citation
Europe PMC
21386183
PubMed citation
Europe PMC
2199554
PubMed citation
Europe PMC
24421258
PubMed citation
Europe PMC
26447499
PubMed citation
Europe PMC
26713899
PubMed citation
Europe PMC
29889522
PubMed citation
Europe PMC
30240205
PubMed citation
Europe PMC
30339175
PubMed citation
Europe PMC
3139586
PubMed citation
Europe PMC
34020455
PubMed citation
Europe PMC
34071129
PubMed citation
Europe PMC
IND606479638
Agricola citation
Europe PMC
IND606782153
Agricola citation
Europe PMC
IND606786385
Agricola citation
Europe PMC
Last Modified
05 November 2021