| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:16 UTC |
|---|
| Update Date | 2025-03-21 17:59:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00022615 |
|---|
| Frequency | 175.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H8OS |
|---|
| Molecular Mass | 116.0296 |
|---|
| SMILES | CSC=CC(C)=O |
|---|
| InChI Key | WGVQRGYKTCKYOX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | vinylogous thioesters |
|---|
| Subclass | vinylogous thioesters |
|---|
| Direct Parent | vinylogous thioesters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxidessulfenyl compoundsthioenol ethers |
|---|
| Substituents | vinylogous thioesteraliphatic acyclic compoundcarbonyl groupsulfenyl compoundalpha,beta-unsaturated ketoneorganosulfur compoundketoneorganic oxidethioenoletherorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
|---|
