| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:08 UTC |
|---|
| Update Date | 2025-03-21 18:06:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00062493 |
|---|
| Frequency | 49.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H14O2S |
|---|
| Molecular Mass | 162.0715 |
|---|
| SMILES | CCC=CCCS(C)(=O)=O |
|---|
| InChI Key | JEGUSAZZRZAPPS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organosulfur compounds |
|---|
| Class | sulfonyls |
|---|
| Subclass | sulfones |
|---|
| Direct Parent | sulfones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativesulfone |
|---|
