| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 00:05:32 UTC |
|---|
| Update Date | 2025-03-21 18:29:02 UTC |
|---|
| HMDB ID | HMDB0031596 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00075384 |
|---|
| Name | Methyl 5-methylhexanoate |
|---|
| Frequency | 39.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H16O2 |
|---|
| Molecular Mass | 144.115 |
|---|
| SMILES | COC(=O)CCCC(C)C |
|---|
| InChI Key | VMHVFMBDCWCBHO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acid esters |
|---|
| Direct Parent | fatty acid methyl esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
