| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:12 UTC |
|---|
| Update Date | 2025-03-21 18:41:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00134524 |
|---|
| Frequency | 18.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H16N2O2S |
|---|
| Molecular Mass | 228.0932 |
|---|
| SMILES | Cc1ncc(CO)c(CSCCN)c1O |
|---|
| InChI Key | WZSPDNPDOBMTFH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | halopyridines |
|---|
| Direct Parent | polyhalopyridines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesaromatic alcoholsazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
|---|
| Substituents | aromatic alcoholalcoholsulfenyl compoundaromatic heteromonocyclic compoundazacyclepolyhalopyridinedialkylthioetherheteroaromatic compoundhydroxypyridineorganosulfur compoundorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundorganooxygen compound |
|---|
