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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:89540 - methyl propenyl ketone
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ChEBI Name
methyl propenyl ketone
ChEBI ID
CHEBI:89540
Definition
An enone that is pent-2-ene in which the two methylene hydrogens have been replaced by an oxo group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C5H8O
Net Charge
0
Average Mass
84.117
Monoisotopic Mass
84.05751
InChI
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3
InChIKey
LABTWGUMFABVFG-UHFFFAOYSA-N
SMILES
O=C(C=CC)C
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
PubMed
Crataegus pinnatifida
(NCBI:txid510735)
Found in fruit
(BTO:0000486)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in saliva
(UBERON:0001836)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
Roles Classification
Biological Role
(s):
EC 1.14.13.39 (nitric oxide synthase) inhibitor
An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of nitric oxide synthase (EC 1.14.13.39).
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
Application
(s):
biomarker
A substance used as an indicator of a biological state.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
methyl propenyl ketone (
CHEBI:89540
)
has role
biomarker (
CHEBI:59163
)
methyl propenyl ketone (
CHEBI:89540
)
has role
EC 1.14.13.39 (nitric oxide synthase) inhibitor (
CHEBI:61908
)
methyl propenyl ketone (
CHEBI:89540
)
has role
human urinary metabolite (
CHEBI:84087
)
methyl propenyl ketone (
CHEBI:89540
)
has role
mouse metabolite (
CHEBI:75771
)
methyl propenyl ketone (
CHEBI:89540
)
has role
plant metabolite (
CHEBI:76924
)
methyl propenyl ketone (
CHEBI:89540
)
is a
enone (
CHEBI:51689
)
Incoming
(3
E
)-pent-3-en-2-one (
CHEBI:145276
)
is a
methyl propenyl ketone (
CHEBI:89540
)
IUPAC Name
pent-3-en-2-one
Synonyms
Sources
(
Z
)-pent-3-ene-2-one
UniProt
2-Oxo-3-pentene
ChemIDplus
3-Penten-2-one
HMDB
Ethylidene acetone
HMDB
Methyl 1-propenyl ketone
HMDB
Pent-3-en-2-one
HMDB
Manual Xref
Database
HMDB0001184
HMDB
View more database links
Registry Numbers
Types
Sources
1633505
Reaxys Registry Number
Reaxys
625-33-2
CAS Registry Number
ChemIDplus
625-33-2
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
16770722
PubMed citation
Europe PMC
19246253
PubMed citation
Europe PMC
22247601
PubMed citation
Europe PMC
22272978
PubMed citation
Europe PMC
23662795
PubMed citation
Europe PMC
Last Modified
16 December 2020