Ethyl isobutyl ketone (BioCAD00000020628)
Metabolite Card
Formula: C7H14O (114.1045)
SMILES: CCC(=O)CC(C)C
Synonyms [en]
Ethyl isobutyl ketone; 5-Methylhexan-3-one; 5-Methyl-3-hexanone; 2-Methyl-4-hexanone; Isobutyl ethyl ketone; 5-methyl-hexan-3-one
Last reviewed on 2024-06-28.
Cite this Page
Ethyl isobutyl 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: BioCAD00000020628). Licensed
under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Note
Ethyl isobutyl ketone is a volatile organic compound (VOC). Ethyl isobutyl ketone is occasionally found as a volatile component of normal human biofluids. It is a component of the feces in about 25% of the normal population. Volatile organic compounds from feces have the potential to help in the diagnosis of gastrointestinal disease. (PMID: 5556886, 17314143).
DBLinks
- CAS Registry Number: 623-56-3
- PubChem CID: 12187
- ChEBI: 89209
- HMDB: HMDB0005841
- LipidMaps: LMFA12000088
- KEGG:
- BioCyc:
- NCBI MeSH:
- Wikipedia:
Other DBLinks
- CAS Registry Number: 623-56-3
- PubChem: 12187
- ChEBI: ChEBI:89209
- HMDB: HMDB0005841
- HMDB: HMDB05841
- LipidMaps: LMFA12000088
- RefMet: RM0153396
- MoNA: HMDB0005841_c_ms_99902
- MoNA: JP006456
- Metlin: METLIN_58329
- Coconut NaturalProduct: CNP0284484.0
Class / Ontology
- WishartLab ClassyFire: [Carbonyl compounds] Carbonyl compounds
- RefMet: [Oxygenated hydrocarbons] Oxygenated hydrocarbons
- LipidMaps: [Oxygenated hydrocarbons [FA12]] Oxygenated hydrocarbons [FA12]
- ChEBI: [CHEBI:89209] Ethyl isobutyl ketone
- Coconut NaturalProduct: [Oxygenated hydrocarbons] Oxygenated hydrocarbons