| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:50 UTC |
|---|
| Update Date | 2025-03-21 18:38:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00121966 |
|---|
| Frequency | 21.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16N4O |
|---|
| Molecular Mass | 244.1324 |
|---|
| SMILES | NC(Cc1c[nH]cn1)C(=O)NCc1ccccc1 |
|---|
| InChI Key | LGISFGOFQKSPQS-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 | alpha amino acid amides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundfatty amideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolealpha-amino acid amideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
