| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:53 UTC |
|---|
| Update Date | 2025-03-25 00:46:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155577 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H16N3O+ |
|---|
| Molecular Mass | 242.1288 |
|---|
| SMILES | Cc1ccc(C[n+]2cccc(C(N)=O)c2C)cn1 |
|---|
| InChI Key | GJPVOKAMBDYPFJ-UHFFFAOYSA-O |
|---|
| 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-halopyridinesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesvinylogous amidearomatic heteromonocyclic compoundazacyclepolyhalopyridinenicotinamideheteroaromatic compoundmethylpyridinecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic cationorganooxygen compound |
|---|
