| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 10:28:50 UTC |
|---|
| Update Date | 2025-03-24 20:46:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01559706 |
|---|
| Frequency | 0.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H9N3O |
|---|
| Molecular Mass | 139.0746 |
|---|
| SMILES | CNCC(=O)n1ccnc1 |
|---|
| InChI Key | HYZBISFVORGOJK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarbonylimidazolesdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesn-acylimidazolesorganic oxidesorganopnictogen compounds |
|---|
| Substituents | secondary aliphatic amineimidazole-1-carbonyl groupcarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundsecondary amineorganic oxideorganic oxygen compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acylimidazolehydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamineazolen-substituted imidazole |
|---|
