| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:31 UTC |
|---|
| Update Date | 2025-03-21 18:07:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00068162 |
|---|
| Frequency | 44.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H8N2O2 |
|---|
| Molecular Mass | 164.0586 |
|---|
| SMILES | O=C(O)C1Cc2cccnc2N1 |
|---|
| InChI Key | JSHWYMVQSPFANN-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-halopyridinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alkylarylamines |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidpolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
