| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:38:37 UTC |
|---|
| Update Date | 2025-03-21 17:58:07 UTC |
|---|
| HMDB ID | HMDB0302473 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00012284 |
|---|
| Name | 2-Butenoic acid methyl ester |
|---|
| Frequency | 370.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8O2 |
|---|
| Molecular Mass | 100.0524 |
|---|
| SMILES | CC=CC(=O)OC |
|---|
| InChI Key | MCVVUJPXSBQTRZ-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 compoundsenoate estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | enoate esteraliphatic acyclic compoundcarbonyl groupcarboxylic acid derivativealpha,beta-unsaturated carboxylic esterfatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
