| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:00:32 UTC |
|---|
| Update Date | 2025-03-21 18:06:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00063405 |
|---|
| Frequency | 48.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H12OS |
|---|
| Molecular Mass | 144.0609 |
|---|
| SMILES | C=CCSCC(=O)CC |
|---|
| InChI Key | QEOKMMHFYXTFRB-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 | allyl sulfur compoundsdialkylthioethershydrocarbon derivativesorganic oxidessulfenyl compounds |
|---|
| Substituents | aliphatic acyclic compoundsulfenyl compounddialkylthioetherallyl sulfur compoundorganosulfur compoundketoneorganic oxidethioetherhydrocarbon derivative |
|---|