| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:04 UTC |
|---|
| Update Date | 2025-03-25 00:49:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02176379 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12N2O3S |
|---|
| Molecular Mass | 216.0569 |
|---|
| SMILES | CC1(C(=O)O)CSCC2NC(=O)NC21 |
|---|
| InChI Key | KKWSJGYXIZPSOF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | thianes |
|---|
| Subclass | thianes |
|---|
| Direct Parent | thianes |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | imidazolidinecarbonyl groupcarbonic acid derivativecarboxylic acidazacycledialkylthioethercarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiane |
|---|
