| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 07:18:21 UTC |
|---|
| Update Date | 2025-03-24 20:00:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01101770 |
|---|
| Frequency | 1.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H9N2O+ |
|---|
| Molecular Mass | 113.0709 |
|---|
| SMILES | C[N+](C)(C)C(=O)C#N |
|---|
| InChI Key | QEDJXCBJDOWYHR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | carboxylic acids and derivatives |
|---|
| Direct Parent | carboxylic acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundshydrocarbon derivativesnitrilesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupnitrilecarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationcarbonitrileorganooxygen compound |
|---|
