| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:50:58 UTC |
|---|
| Update Date | 2025-03-21 18:02:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00040850 |
|---|
| Frequency | 84.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15N2O4+ |
|---|
| Molecular Mass | 239.1026 |
|---|
| SMILES | NC(=O)c1ccc[n+](C2CC(O)C(O)C2O)c1 |
|---|
| InChI Key | ZVIUIDGIRMZITQ-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 | azacyclic compoundscarboxylic acids and derivativescyclitols and derivativescyclopentanolsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationalcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecyclitol or derivativescyclic alcoholcarboxamide groupcyclopentanolorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
