| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:53 UTC |
|---|
| Update Date | 2025-03-21 18:06:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00061963 |
|---|
| Frequency | 50.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H9NOS |
|---|
| Molecular Mass | 131.0405 |
|---|
| SMILES | NC1CCSCC1=O |
|---|
| InChI Key | QKMOOZQQZYCDCN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | thianes |
|---|
| Subclass | thianes |
|---|
| Direct Parent | thianes |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | cyclic ketonesdialkylthioethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | carbonyl groupdialkylthioethercyclic ketoneketoneorganic oxideorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundthiane |
|---|
