| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 07:44:09 UTC |
|---|
| Update Date | 2025-03-24 22:20:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01164332 |
|---|
| Frequency | 1.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H3ClO3 |
|---|
| Molecular Mass | 133.9771 |
|---|
| SMILES | O=CC=C(Cl)C(=O)O |
|---|
| InChI Key | ZLRKAXHGAFSOHO-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 | aldehydesalpha-halocarboxylic acidscarboxylic acidschloroalkeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesunsaturated fatty acidsvinyl chloridesvinylogous halides |
|---|
| Substituents | alpha-halocarboxylic acid or derivativeshalogenated fatty acidaliphatic acyclic compoundcarbonyl groupcarboxylic acidchloroalkeneorganochloridealdehydealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundvinylogous halideunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundvinyl halidehaloalkenehydrocarbon derivativevinyl chlorideorganooxygen compound |
|---|
