| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 08:34:22 UTC |
|---|
| Update Date | 2025-03-25 00:20:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01286319 |
|---|
| Frequency | 1.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H13N |
|---|
| Molecular Mass | 111.1048 |
|---|
| SMILES | CCCC(C)CC#N |
|---|
| InChI Key | JDVUMGUHKLDEQL-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 |
|---|
