| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:07:29 UTC |
|---|
| Update Date | 2025-03-21 18:29:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00080184 |
|---|
| Frequency | 36.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H13N3O4 |
|---|
| Molecular Mass | 275.0906 |
|---|
| SMILES | NC(=NC(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
|---|
| InChI Key | FDDVEOQBUXFELM-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 | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amidinesazacyclic compoundsbenzenoidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidindoleamidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundcarboximidamideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
