| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 07:42:44 UTC |
|---|
| Update Date | 2025-03-24 22:19:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01160769 |
|---|
| Frequency | 1.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9N |
|---|
| Molecular Mass | 107.0735 |
|---|
| SMILES | CCC=CC=CC#N |
|---|
| InChI Key | PBPGHFJYCOSVGW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic nitrogen compounds |
|---|
| Class | organonitrogen compounds |
|---|
| Subclass | organic cyanides |
|---|
| Direct Parent | nitriles |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | aliphatic acyclic compoundnitrileorganopnictogen compoundhydrocarbon derivativecarbonitrile |
|---|
