| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:03 UTC |
|---|
| Update Date | 2025-03-21 18:30:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00083873 |
|---|
| Frequency | 34.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H14N2O5S |
|---|
| Molecular Mass | 262.0623 |
|---|
| SMILES | O=C(O)CCC1CC2NC(=O)NC2CS1(=O)=O |
|---|
| InChI Key | VBZZMKCKZWQIFK-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 acidshydrocarbon derivativesimidazolidinonesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfones |
|---|
| Substituents | imidazolidinecarbonyl groupcarbonic acid derivativecarboxylic acidazacyclecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfonethiane |
|---|
