CHEBI:145276 - (3E)-pent-3-en-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3E)-pent-3-en-2-one
ChEBI ID CHEBI:145276
ChEBI ASCII Name (3E)-pent-3-en-2-one
Definition A methyl propenyl ketone in which the double bond has (E)-configuration. It is a key odorant responsible for the chestnut-like aroma in green tea.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information
Download Molfile XML SDF
Formula C5H8O
Net Charge 0
Average Mass 84.118
Monoisotopic Mass 84.05751
InChI InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+
InChIKey LABTWGUMFABVFG-ONEGZZNKSA-N
SMILES O=C(/C=C/C)C
Metabolite of Species Details
Gerbera jamesonii (NCBI:txid13547) See: PubMed
Camellia sinensis (NCBI:txid4442) See: DOI
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.
(via methyl propenyl ketone )
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).
(via methyl propenyl ketone )
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
(via methyl propenyl ketone )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via methyl propenyl ketone )
Application(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
biomarker
A substance used as an indicator of a biological state.
(via methyl propenyl ketone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (3E)-pent-3-en-2-one (CHEBI:145276) has role flavouring agent (CHEBI:35617)
(3E)-pent-3-en-2-one (CHEBI:145276) has role plant metabolite (CHEBI:76924)
(3E)-pent-3-en-2-one (CHEBI:145276) is a methyl propenyl ketone (CHEBI:89540)
(3E)-pent-3-en-2-one (CHEBI:145276) is a volatile organic compound (CHEBI:134179)
IUPAC Name
(3E)-pent-3-en-2-one
Synonyms Sources
(3E)-penten-2-one SUBMITTER
(E)-3-penten-2-one ChEBI
(E)-pent-3-en-2-one ChEBI
(E)-pent-3-en-2-one UniProt
trans-3-penten-2-one ChemIDplus
Manual Xref Database
LMFA12000028 LIPID MAPS
View more database links
Registry Numbers Types Sources
3102-33-8 CAS Registry Number NIST Chemistry WebBook
3102-33-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
25619643 PubMed citation SUBMITTER
29735103 PubMed citation Europe PMC
30255657 PubMed citation Europe PMC
IND606344169 Agricola citation Europe PMC
Last Modified
16 December 2020