| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:46:46 UTC |
|---|
| Update Date | 2025-03-21 18:50:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00173487 |
|---|
| Frequency | 13.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H4N2 |
|---|
| Molecular Mass | 92.0374 |
|---|
| SMILES | N#Cc1ccc[nH]1 |
|---|
| InChI Key | BQMPGKPTOHKYHS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | heteroaromatic compounds |
|---|
| Subclass | heteroaromatic compounds |
|---|
| Direct Parent | heteroaromatic compounds |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundspyrroles |
|---|
| Substituents | nitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
|---|
