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CHEBI:77928 - tridecan-2-one
| Formula | C13H26O |
| Net Charge | 0 |
| Average Mass | 198.350 |
| Monoisotopic Mass | 198.19837 |
| SMILES | CCCCCCCCCCCC(C)=O |
| InChI | InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3 |
| InChIKey | CYIFVRUOHKNECG-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tridecan-2-one (CHEBI:77928) has parent hydride tridecane (CHEBI:35998) |
| tridecan-2-one (CHEBI:77928) has role flavouring agent (CHEBI:35617) |
| tridecan-2-one (CHEBI:77928) has role plant metabolite (CHEBI:76924) |
| tridecan-2-one (CHEBI:77928) is a methyl ketone (CHEBI:51867) |
| IUPAC Name |
|---|
| tridecan-2-one |
| Synonyms | Source |
|---|---|
| Hendecyl methyl ketone | HMDB |
| methyl undecyl ketone | SUBMITTER |
| tridecanone | SUBMITTER |
| 2-Tridecanone | ChEBI |
| NSC 14763 | ChEBI |
| Methyl n-undecyl ketone | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| HMDB0034148 | HMDB |
| CPD-7901 | MetaCyc |
| WO2012018250 | Patent |
| 2981 | BPDB |
| Citations |
|---|