| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 09:24:37 UTC |
|---|
| Update Date | 2025-03-24 20:18:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01405977 |
|---|
| Frequency | 0.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H7NO |
|---|
| Molecular Mass | 97.0528 |
|---|
| SMILES | CC(O)=C(C)C#N |
|---|
| InChI Key | NJVIXLCVGBQEGT-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 compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | aliphatic acyclic compoundnitrileorganic oxygen compoundorganopnictogen compoundhydrocarbon derivativecarbonitrileorganooxygen compound |
|---|
