| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:43 UTC |
|---|
| Update Date | 2025-03-25 00:59:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02237205 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H17N5O3 |
|---|
| Molecular Mass | 291.1331 |
|---|
| SMILES | O=C(O)C(Cc1c[nH]c2[nH]cnc12)NC(=O)C1CCCN1 |
|---|
| InChI Key | RUENAXCSJHUKRJ-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 | dipeptides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsproline and derivativespyrrolespyrrolidinecarboxamidessecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesproline or derivativessecondary aliphatic aminealpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundsecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
|---|
