| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:28 UTC |
|---|
| Update Date | 2025-03-21 18:28:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072867 |
|---|
| Frequency | 51.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H21N5O3 |
|---|
| Molecular Mass | 355.1644 |
|---|
| SMILES | COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)Cc1c[nH]cn1 |
|---|
| InChI Key | REDHCQAJTIYCJJ-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 | peptides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acid estersalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundsfatty acid estersfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesindolesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
|---|
| Substituents | fatty acylcarbonyl groupindolefatty amidealpha-amino acid or derivativesalpha peptideorganic oxidemethyl esteraromatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesalpha-amino acid amidealpha-amino acid esterazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
