4-Heptanone (BioCAD00000020357)

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Metabolite Card

Formula: C7H14O (114.1045)
SMILES: CCCC(=O)CCC

Synonyms [en]

4-heptanone; heptan-4-one; Propyl ketone; 4-Oxoheptane; Butyrone; Dipropyl ketone

Reviewed

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.

Entity Information

DBLinks

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

Metabolic Network
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
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