| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:37:20 UTC |
|---|
| Update Date | 2025-03-21 17:57:39 UTC |
|---|
| HMDB ID | HMDB0031316 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00009281 |
|---|
| Name | 4-(Methylthio)-2-butanone |
|---|
| Frequency | 520.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H10OS |
|---|
| Molecular Mass | 118.0452 |
|---|
| SMILES | CSCCC(C)=O |
|---|
| InChI Key | DRGHCRKOWMAZAO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | ketones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | dialkylthioethershydrocarbon derivativesorganic oxidessulfenyl compounds |
|---|
| Substituents | ketonealiphatic acyclic compoundorganic oxidesulfenyl compoundthioetherdialkylthioetherhydrocarbon derivativeorganosulfur compound |
|---|
