| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:57 UTC |
|---|
| Update Date | 2025-03-25 00:47:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02162324 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12N4O5 |
|---|
| Molecular Mass | 256.0808 |
|---|
| SMILES | O=C(O)CCC(NC(=O)Cc1c[nH]nn1)C(=O)O |
|---|
| InChI Key | DMQSWWHESHJIAI-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 | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestriazoles |
|---|
| Substituents | triazolecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1,2,3-triazoleorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundglutamic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
