| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:01:46 UTC |
|---|
| Update Date | 2025-03-25 00:54:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02205308 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18N4O4 |
|---|
| Molecular Mass | 294.1328 |
|---|
| SMILES | NCC(N)C(=O)NC(CC(=O)c1ccccc1N)C(=O)O |
|---|
| InChI Key | HLJJOTNEYUBHGE-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 homomonocyclic compounds |
|---|
| Alternative Parents | alkyl-phenylketonesalpha amino acid amidesalpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbeta amino acids and derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativesketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesvinylogous amidealpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupbeta amino acid or derivativesphenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
|---|
