| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:19:29 UTC |
|---|
| Update Date | 2025-03-21 18:36:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00109122 |
|---|
| Frequency | 24.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H12N4O5 |
|---|
| Molecular Mass | 268.0808 |
|---|
| SMILES | Nc1nccnc1C(=O)NC(CCC(=O)O)C(=O)O |
|---|
| InChI Key | ZTEQLMBVYZNXNV-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 | glutamic acid and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminespyrazinecarboxamidessecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid2-heteroaryl carboxamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundn-acyl-alpha amino acid or derivativespyrazinecarboxamidevinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrazinedicarboxylic acid or derivativespyrazine carboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
