| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:28 UTC |
|---|
| Update Date | 2025-03-21 18:03:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00042019 |
|---|
| Frequency | 81.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H7ClO4 |
|---|
| Molecular Mass | 154.0033 |
|---|
| SMILES | O=C(O)C(O)C(O)CCl |
|---|
| InChI Key | LIDWYJZRVVGXRK-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 | 1,2-diolsalkyl chloridesalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorohydrinshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridessecondary alcoholsshort-chain hydroxy acids and derivatives |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidchlorohydrinalkyl chlorideorganochloridealpha-hydroxy acidmonosaccharidecarboxylic acid derivativeorganohalogen compoundbeta-hydroxy acidsaccharideorganic oxidealkyl halidehydroxy fatty acid1,2-diolhalogenated fatty acidalcoholhalohydrinhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
|---|
