| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 01:58:43 UTC |
|---|
| Update Date | 2025-03-21 20:09:27 UTC |
|---|
| HMDB ID | HMDB0040258 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00339994 |
|---|
| Name | xi-2-Acetylthietane |
|---|
| Frequency | 5.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8OS |
|---|
| Molecular Mass | 116.0296 |
|---|
| SMILES | CC(=O)C1CCS1 |
|---|
| InChI Key | LHLNSXFHEGETML-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | thietanes |
|---|
| Subclass | thietanes |
|---|
| Direct Parent | thietanes |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | dialkylthioethershydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | ketonecarbonyl grouporganic oxideorganic oxygen compoundthioetherdialkylthioetheraliphatic heteromonocyclic compoundthietanehydrocarbon derivativeorganooxygen compound |
|---|
