| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 02:29:51 UTC |
|---|
| Update Date | 2025-03-21 20:57:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00413768 |
|---|
| Frequency | 4.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H7ClO3 |
|---|
| Molecular Mass | 138.0084 |
|---|
| SMILES | CC(Cl)(CO)C(=O)O |
|---|
| InChI Key | MEVRAQRTNQBNQE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | hydroxy acids and derivatives |
|---|
| Subclass | beta hydroxy acids and derivatives |
|---|
| Direct Parent | beta hydroxy acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alcohols and polyolsalkyl chloridesalpha-halocarboxylic acidscarbonyl compoundscarboxylic acidschlorohydrinshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
|---|
| Substituents | alcoholalpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl groupcarboxylic acidchlorohydrinhalohydrinalkyl chlorideorganochloridealpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl halidehydrocarbon derivativeorganooxygen compound |
|---|
