| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:47:47 UTC |
|---|
| Update Date | 2025-03-21 21:58:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00456372 |
|---|
| Frequency | 3.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H7FO2 |
|---|
| Molecular Mass | 118.043 |
|---|
| SMILES | CCC=C(F)C(=O)O |
|---|
| InChI Key | JBRQOQRPANVJKM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | halogenated fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha-halocarboxylic acidscarbonyl compoundscarboxylic acidsfluoroalkeneshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesunsaturated fatty acidsvinyl fluorides |
|---|
| Substituents | alpha-halocarboxylic acid or derivativeshalogenated fatty acidaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidorganofluoridealpha-halocarboxylic acidvinyl fluoridecarboxylic acid derivativeorganohalogen compoundbranched fatty acidunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenehydrocarbon derivativefluoroalkeneorganooxygen compound |
|---|
