| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 11:41:22 UTC |
|---|
| Update Date | 2025-03-24 21:17:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01733538 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8O3 |
|---|
| Molecular Mass | 116.0473 |
|---|
| SMILES | COC(=O)C(C)=CO |
|---|
| InChI Key | VFTATQXKBPNQQF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | vinylogous acids |
|---|
| Subclass | vinylogous acids |
|---|
| Direct Parent | vinylogous acids |
|---|
| 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 estervinylogous acidorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
|---|
