| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 11:42:44 UTC |
|---|
| Update Date | 2025-03-24 21:18:34 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01736810 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H13NO |
|---|
| Molecular Mass | 127.0997 |
|---|
| SMILES | CC(C)CC(=O)C=CN |
|---|
| InChI Key | KYNUBTSFDACPGH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | acryloyl compounds |
|---|
| Direct Parent | acryloyl compounds |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | enoneshydrocarbon derivativesketonesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
|---|
| Substituents | vinylogous amidealiphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketoneketoneorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundenone |
|---|
