| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 10:48:14 UTC |
|---|
| Update Date | 2025-03-24 20:54:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01605142 |
|---|
| Frequency | 0.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H7NO2 |
|---|
| Molecular Mass | 113.0477 |
|---|
| SMILES | CC(=O)C(C=O)=CN |
|---|
| InChI Key | LSGFKUYSFADRID-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | beta ketoaldehydes |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesenoneshydrocarbon derivativesketonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
|---|
| Substituents | alpha-branched alpha,beta-unsaturated-ketonevinylogous amidealiphatic acyclic compoundbeta-ketoaldehydealpha,beta-unsaturated ketoneketoneorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundenone |
|---|
