| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:02:28 UTC |
|---|
| Update Date | 2025-03-21 18:07:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00068047 |
|---|
| Frequency | 44.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H8N6O4 |
|---|
| Molecular Mass | 264.0607 |
|---|
| SMILES | O=C(O)CC(Nc1ncnc2nncnc12)C(=O)O |
|---|
| InChI Key | LZAKUUCSHYPFFV-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 | aspartic acid and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2,4-triazinesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativessecondary alkylarylamines |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativestriazinehydrocarbon derivativeorganic nitrogen compound1,2,4-triazineorganooxygen compoundamine |
|---|
