| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:39:44 UTC |
|---|
| Update Date | 2025-03-21 17:58:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00014834 |
|---|
| Frequency | 295.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H8O3 |
|---|
| Molecular Mass | 128.0473 |
|---|
| SMILES | CC(=O)C=CCC(=O)O |
|---|
| InChI Key | JILYFEZVVJXRHV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | medium-chain fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundscarboxylic acidsenonesfatty acylshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidacryloyl-grouporganooxygen compoundenone |
|---|
