| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:46:24 UTC |
|---|
| Update Date | 2025-03-21 18:50:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00172625 |
|---|
| Frequency | 13.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7N2+ |
|---|
| Molecular Mass | 119.0604 |
|---|
| SMILES | C[n+]1cccc(C#N)c1 |
|---|
| InChI Key | YPQVJNCIBVIPOK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | 3-pyridinecarbonitriles |
|---|
| Direct Parent | 3-pyridinecarbonitriles |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesn-methylpyridinium compoundsnitrilesorganic cationsorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | nitrilen-methylpyridiniumaromatic heteromonocyclic compoundazacycleheteroaromatic compound3-pyridinecarbonitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationcarbonitrile |
|---|
