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CHEBI:87536 - 3-methylbutyl octanoate
| Formula | C13H26O2 |
| Net Charge | 0 |
| Average Mass | 214.349 |
| Monoisotopic Mass | 214.19328 |
| SMILES | CCCCCCCC(=O)OCCC(C)C |
| InChI | InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3 |
| InChIKey | XKWSWANXMRXDES-UHFFFAOYSA-N |
| 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-methylbutyl octanoate (CHEBI:87536) has functional parent isoamylol (CHEBI:15837) |
| 3-methylbutyl octanoate (CHEBI:87536) has functional parent octanoic acid (CHEBI:28837) |
| 3-methylbutyl octanoate (CHEBI:87536) has role metabolite (CHEBI:25212) |
| 3-methylbutyl octanoate (CHEBI:87536) is a fatty acid ester (CHEBI:35748) |
| IUPAC Name |
|---|
| 3-methylbutyl octanoate |
| Synonyms | Source |
|---|---|
| isoamyl caprylate | ChEBI |
| isoamyl octanoate | ChEBI |
| isopentyl octanoate | ChEBI |
| octanoic acid isopentyl ester | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0038729 | HMDB |
| Citations |
|---|