| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 04:14:36 UTC |
|---|
| Update Date | 2025-03-21 23:11:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00661652 |
|---|
| Frequency | 2.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H9N3O |
|---|
| Molecular Mass | 139.0746 |
|---|
| SMILES | NCCC(=O)n1ccnc1 |
|---|
| InChI Key | CQKROJRLGCXSGP-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 | beta amino acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarbonylimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesn-acylimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | imidazole-1-carbonyl groupcarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundbeta amino acid or derivativesorganic oxideorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundn-acylimidazolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
|---|
