| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:45 UTC |
|---|
| Update Date | 2025-03-25 00:46:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02152874 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H13N5O4 |
|---|
| Molecular Mass | 303.0968 |
|---|
| SMILES | NC(=O)NC(CC(=O)O)C(=O)Nc1ncnc2ccccc12 |
|---|
| InChI Key | UDAIRFWMRVSCCE-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 | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesn-arylamidesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativesquinazolinaminessecondary carboxylic acid amides |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidfatty amiden-arylamidepyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundn-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundcarbonic acid derivativealpha-amino acid amideazacyclen-carbamoyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundaspartic acid or derivativesquinazolinaminehydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineorganooxygen compound |
|---|
