| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 00:19:54 UTC |
|---|
| Update Date | 2025-03-21 18:36:20 UTC |
|---|
| HMDB ID | HMDB0034234 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00110136 |
|---|
| Name | Ethyl (±)-3-methylpentanoate |
|---|
| Frequency | 24.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H16O2 |
|---|
| Molecular Mass | 144.115 |
|---|
| SMILES | CCOC(=O)CC(C)CC |
|---|
| InChI Key | TXAWGHYFBQBVNK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acid esters |
|---|
| Direct Parent | fatty acid esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundfatty acid estercarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativecarboxylic acid derivativeorganooxygen compound |
|---|
