| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 09:12:26 UTC |
|---|
| Update Date | 2025-03-24 20:13:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01377189 |
|---|
| Frequency | 0.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H5ClO3 |
|---|
| Molecular Mass | 135.9927 |
|---|
| SMILES | O=C1OC(CCl)C1O |
|---|
| InChI Key | SPPGBUNTPYIHEE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | lactones |
|---|
| Subclass | beta propiolactones |
|---|
| Direct Parent | beta propiolactones |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl chloridescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesoxacyclic compoundsoxetanessecondary alcohols |
|---|
| Substituents | alcoholcarbonyl groupalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundbeta_propiolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteroxetanealiphatic heteromonocyclic compoundsecondary alcoholalkyl halidehydrocarbon derivativeorganooxygen compound |
|---|
