| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:36 UTC |
|---|
| Update Date | 2025-03-25 00:59:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02234681 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H8N2 |
|---|
| Molecular Mass | 84.0687 |
|---|
| SMILES | CNCCC#N |
|---|
| InChI Key | UNIJBMUBHBAUET-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 | dialkylamineshydrocarbon derivativesorganopnictogen compounds |
|---|
| Substituents | aliphatic acyclic compoundsecondary aliphatic aminenitrileorganopnictogen compoundhydrocarbon derivativesecondary aminecarbonitrileamine |
|---|
