| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:45 UTC |
|---|
| Update Date | 2025-03-25 00:47:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02159645 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H14N4O4 |
|---|
| Molecular Mass | 302.1015 |
|---|
| SMILES | O=CNc1nc[nH]c1C(=O)NC(Cc1ccccc1)C(=O)O |
|---|
| InChI Key | HWUQXJYHEKZXRI-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 | phenylalanine and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarbonylimidazolescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-arylamidesorganic oxidesorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | carbonyl groupmonocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidn-arylamide2-heteroaryl carboxamideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazole-4-carbonyl groupimidolactamorganoheterocyclic compoundamphetamine or derivativesazolen-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
