| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 11:31:31 UTC |
|---|
| Update Date | 2025-03-24 21:13:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01709691 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9N2+ |
|---|
| Molecular Mass | 133.076 |
|---|
| SMILES | C[n+]1cccc(CC#N)c1 |
|---|
| InChI Key | AJORPWCUJVDFHH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | methylpyridines |
|---|
| Direct Parent | n-methylpyridinium compounds |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesnitrilesorganic cationsorganonitrogen compoundsorganopnictogen compoundspyridines and derivatives |
|---|
| Substituents | nitrilen-methylpyridiniumaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationcarbonitrile |
|---|
