| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:12:58 UTC |
|---|
| Update Date | 2025-03-21 18:32:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00093128 |
|---|
| Frequency | 30.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H9N5O4 |
|---|
| Molecular Mass | 263.0655 |
|---|
| SMILES | O=C(O)CC(Nc1ncnc2nccnc12)C(=O)O |
|---|
| InChI Key | PKTVLSWIADWTTA-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 | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundspteridines and derivativespyrazinespyrimidines and pyrimidine derivativessecondary alkylarylamines |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidpteridinepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundpyrazineaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
