| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:55 UTC |
|---|
| Update Date | 2025-03-21 18:03:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00043146 |
|---|
| Frequency | 87.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H10N6O6 |
|---|
| Molecular Mass | 322.0662 |
|---|
| SMILES | Nc1nc2ncc(C(=O)NC(CC(=O)O)C(=O)O)nc2c(=O)[nH]1 |
|---|
| InChI Key | CMJDJTUQXODLFB-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 | 2-heteroaryl carboxamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminespterins and derivativespyrazinecarboxamidespyrimidonessecondary carboxylic acid amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidamino acidpyrimidonepteridine2-heteroaryl carboxamidepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativespyrazinecarboxamidepterinazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrazineaspartic acid or derivativesdicarboxylic acid or derivativespyrazine carboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
