| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 13:24:50 UTC |
|---|
| Update Date | 2025-03-24 22:03:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01978317 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H9FO2 |
|---|
| Molecular Mass | 132.0587 |
|---|
| SMILES | CCC(C)=C(F)C(=O)O |
|---|
| InChI Key | ZISMJRBSWOLTFI-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 |
|---|
