| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:18 UTC |
|---|
| Update Date | 2025-03-21 17:58:00 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00011510 |
|---|
| Frequency | 401.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18N3OS+ |
|---|
| Molecular Mass | 264.1165 |
|---|
| SMILES | Cc1ccc(C[n+]2csc(CCO)c2C)c(N)n1 |
|---|
| InChI Key | GPDGHBFOHMKNMQ-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-halopyridines4,5-disubstituted thiazolesalcohols and polyolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesorganic cationsorganopnictogen compoundsprimary amines |
|---|
| Substituents | alcoholaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridine4,5-disubstituted 1,3-thiazoleorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amine2-halopyridineorganic nitrogen compoundorganic cationimidolactamthiazoleamineorganooxygen compoundazole |
|---|
