| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:43:46 UTC |
|---|
| Update Date | 2025-03-21 17:59:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00023743 |
|---|
| Frequency | 165.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18N4O3 |
|---|
| Molecular Mass | 290.1379 |
|---|
| SMILES | NCC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
|---|
| InChI Key | YDYWTGDHLNVIMO-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 acidsazacyclic compoundsbenzenoidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidindolealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupbeta amino acid or derivativesalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
