| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:06 UTC |
|---|
| Update Date | 2025-03-25 00:50:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178753 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11N3O |
|---|
| Molecular Mass | 165.0902 |
|---|
| SMILES | CNCc1ncccc1C(N)=O |
|---|
| InChI Key | BGJVJMUAHRWDTK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridinecarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesamino acids and derivativesazacyclic compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnicotinamidesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinenicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinesecondary aliphatic amineazacycleheteroaromatic compoundmethylpyridinesecondary aminecarboxamide grouporganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
