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CHEBI:50139 - heptan-3-one
| Formula | C7H14O |
| Net Charge | 0 |
| Average Mass | 114.188 |
| Monoisotopic Mass | 114.10447 |
| SMILES | CCCCC(=O)CC |
| InChI | InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3 |
| InChIKey | NGAZZOYFWWSOGK-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | biomarker A substance used as an indicator of a biological state. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| heptan-3-one (CHEBI:50139) has role biomarker (CHEBI:59163) |
| heptan-3-one (CHEBI:50139) has role metabolite (CHEBI:25212) |
| heptan-3-one (CHEBI:50139) is a dialkyl ketone (CHEBI:18044) |
| Incoming Relation(s) |
| 6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309) has functional parent heptan-3-one (CHEBI:50139) |
| IUPAC Name |
|---|
| heptan-3-one |
| Synonyms | Source |
|---|---|
| Ethyl-n-butyl ketone | ChemIDplus |
| 3-Heptanone | ChemIDplus |
| Butyl ethyl ketone | ChemIDplus |
| Ethylbutylcetone | ChemIDplus |
| Ethyl n-butyl ketone | ChemIDplus |
| n-Butyl ethyl ketone | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| HMDB0031482 | HMDB |
| 3-Heptanone | Wikipedia |
| Citations |
|---|