| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:48 UTC |
|---|
| Update Date | 2025-03-21 18:41:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00133633 |
|---|
| Frequency | 18.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N4O2 |
|---|
| Molecular Mass | 246.1117 |
|---|
| SMILES | O=C1NC(Cc2cnc[nH]2)C(=O)N2C=CCCC12 |
|---|
| InChI Key | BGCQQHFVJJJVIL-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 heteropolycyclic compounds |
|---|
| Alternative Parents | 2,5-dioxopiperazinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary carboxylic acid amidestetrahydropyridines |
|---|
| Substituents | carbonyl grouplactam2,5-dioxopiperazineorganic oxidedioxopiperazinepiperazinearomatic heteropolycyclic compoundimidazoletertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundtetrahydropyridinecarboxamide groupsecondary carboxylic acid amideorganic oxygen compound1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
