| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:49 UTC |
|---|
| Update Date | 2025-03-25 00:58:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02230552 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13N3O |
|---|
| Molecular Mass | 179.1059 |
|---|
| SMILES | CNC(C)C(=O)Nc1ccncc1 |
|---|
| InChI Key | ZQVJKSGUEYJHJG-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 | alanine and derivativesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl grouparomatic heteromonocyclic compoundn-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid amideazacycleheteroaromatic compoundmethylpyridinesecondary aminecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
