| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:11 UTC |
|---|
| Update Date | 2025-03-25 00:59:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02238256 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15N3O8 |
|---|
| Molecular Mass | 329.0859 |
|---|
| SMILES | O=C(O)CCC(NC(=O)OC(Cc1cnc[nH]1)C(=O)O)C(=O)O |
|---|
| InChI Key | HFBRHFPPQOMRFF-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 compoundscarbamate esterscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstricarboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupcarbonic acid derivativecarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarbamic acid estertricarboxylic acid or derivativesglutamic acid or derivativesorganic oxideorganic oxygen compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
|---|
