4-Heptanone (BioCAD00000020357)
Metabolite Card
Formula: C7H14O (114.1045)
SMILES: CCCC(=O)CCC
Synonyms [en]
4-heptanone; heptan-4-one; Propyl ketone; 4-Oxoheptane; Butyrone; Dipropyl ketone
Last reviewed on 2024-06-28.
Cite this Page
4-Heptanone. 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: BioCAD00000020357). Licensed
under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Note
4-Heptanone, also known as dipropyl ketone or 4-oxoheptane, belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Thus, 4-heptanone is considered to be an oxygenated hydrocarbon lipid molecule. 4-Heptanone is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 4-Heptanone is a sweet, cheese, and cognac tasting compound. With regards to humans, 4-Heptanone has been found to be associated with several diseases such as kidney disease, perillyl alcohol administration for cancer treatment, pervasive developmental disorder not otherwise specified, and autism; 4-heptanone has also been linked to the inborn metabolic disorder celiac disease.
DBLinks
- CAS Registry Number: 123-19-3
- PubChem CID: 31246
- ChEBI: 89484
- HMDB: HMDB0004814
- LipidMaps: LMFA12000118
- KEGG:
- BioCyc:
- NCBI MeSH: 4-heptanone
- Wikipedia: 4-Heptanone
Other DBLinks
- CAS Registry Number: 123-19-3
- PubChem: 31246
- ChEBI: ChEBI:89484
- HMDB: HMDB0004814
- HMDB: HMDB04814
- LipidMaps: LMFA12000118
- NCBI MeSH: 4-heptanone
- Wikipedia: 4-Heptanone
- RefMet: RM0150614
- MoNA: HMDB0004814_c_ms_99864
- MoNA: HMDB0004814_c_ms_99865
- MoNA: HMDB0004814_ms_ms_2406
- MoNA: HMDB0004814_ms_ms_2407
- MoNA: HMDB0004814_ms_ms_2408
- MoNA: JP000269
- MoNA: JP006454
- Metlin: METLIN_7078
- Coconut NaturalProduct: CNP0310318.0
Class / Ontology
- WishartLab ClassyFire: [Carbonyl compounds] Carbonyl compounds
- RefMet: [Oxygenated hydrocarbons] Oxygenated hydrocarbons
- LipidMaps: [Oxygenated hydrocarbons [FA12]] Oxygenated hydrocarbons [FA12]
- ChEBI: [CHEBI:89484] 4-heptanone
- Coconut NaturalProduct: [Oxygenated hydrocarbons] Oxygenated hydrocarbons
| ID | EC Number | Name |
|---|---|---|
| Rhea:RHEA:54853 | heptan-4-one + NADPH + O2 + H+ => propyl butanoate + NADP+ + H2O | |
| Rhea:RHEA:54854 | propyl butanoate + NADP+ + H2O => heptan-4-one + NADPH + O2 + H+ | |
| Rhea:RHEA:54855 | heptan-4-one + NADPH + O2 + H+ <=> propyl butanoate + NADP+ + H2O |
Taxonomy Source
- Capillipedium parviflorum [ncbi taxid: 79829]
- Fragaria x ananassa [ncbi taxid: 3747]
- Homo sapiens [ncbi taxid: 9606]
- Thymus quinquecostatus [ncbi taxid: 228974]
- Thymus vulgaris [ncbi taxid: 49992]
Pathway Synthetic
| pathway id | name |
|---|