Methyl propenyl ketone (BioCAD00000019905)
Metabolite Card
Formula: C5H8O (84.0575)
SMILES: C\C=C\C(C)=O
Synonyms [en]
Methyl propenyl ketone; Pent-3-en-2-one; 3-Penten-2-one; Ethylidene acetone; Methyl 1-propenyl ketone; trans-3-Penten-2-one
Last reviewed on 2024-06-28.
Cite this Page
Methyl propenyl ketone. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China.
https://biocad_registry.innovation.ac.cn/s/(-)-arctiin
(retrieved
2026-01-03) (CAD Registry RN: BioCAD00000019905). Licensed
under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Note
Methyl propenyl ketone, also known as (3E)-3-penten-2-one or 2-oxo-3-pentene, belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Thus, methyl propenyl ketone is considered to be an oxygenated hydrocarbon lipid molecule. Methyl propenyl ketone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Methyl propenyl ketone, with regard to humans, has been found to be associated with several diseases such as nonalcoholic fatty liver disease and ulcerative colitis. Methyl propenyl ketone has also been linked to the inborn metabolic disorder celiac disease. Methyl propenyl ketone is occasionally found as a volatile component of normal human biofluids. It is found as a volatile in the hawthorn fruit upon ripening, and also is part of the scent components of the urine of some animals. Methyl propenyl ketone is a volatile organic compound.
DBLinks
- CAS Registry Number: 625-33-2
- PubChem CID: 637920
- ChEBI: 145276
- HMDB: HMDB0001184
- LipidMaps: LMFA12000028
- KEGG:
- BioCyc:
- NCBI MeSH:
- Wikipedia: 3-Penten-2-one
Other DBLinks
- CAS Registry Number: 3102-33-8
- CAS Registry Number: 625-33-2
- PubChem: 12248
- PubChem: 637920
- ChEBI: ChEBI:145276
- ChEBI: ChEBI:89540
- HMDB: HMDB0001184
- HMDB: HMDB01184
- LipidMaps: LMFA12000028
- Wikipedia: 3-Penten-2-one
- RefMet: RM0153068
- MoNA: HMDB0001184_ms_ms_1451
- MoNA: HMDB0001184_ms_ms_1452
- MoNA: HMDB0001184_ms_ms_1453
- Metlin: METLIN_58028
- Coconut NaturalProduct: CNP0158055.0
Class / Ontology
- WishartLab ClassyFire: [Carbonyl compounds] Carbonyl compounds
- RefMet: [Oxygenated hydrocarbons] Oxygenated hydrocarbons
- LipidMaps: [Oxygenated hydrocarbons [FA12]] Oxygenated hydrocarbons [FA12]
- ChEBI: [CHEBI:89540] methyl propenyl ketone
- ChEBI: [CHEBI:145276] (3E)-pent-3-en-2-one
- Coconut NaturalProduct: [Oxygenated hydrocarbons] Oxygenated hydrocarbons
| ID | EC Number | Name |
|---|---|---|
| Rhea:RHEA:50789 | pentan-2-one + NADP+ => (E)-pent-3-en-2-one + NADPH + H+ | |
| Rhea:RHEA:50790 | (E)-pent-3-en-2-one + NADPH + H+ => pentan-2-one + NADP+ | |
| Rhea:RHEA:50791 | pentan-2-one + NADP+ <=> (E)-pent-3-en-2-one + NADPH + H+ |