| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:44 UTC |
|---|
| Update Date | 2025-03-21 18:33:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00097424 |
|---|
| Frequency | 28.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H20N3O6+ |
|---|
| Molecular Mass | 326.1347 |
|---|
| SMILES | CC(=O)NC1C(O)C(O)C(CO)OC1[n+]1cccc(C(N)=O)c1 |
|---|
| InChI Key | QIBBKHIHRVERFH-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 | acetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsprimary carboxylic acid amidessecondary alcoholssecondary carboxylic acid amidesvinylogous amides |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl grouparomatic heteromonocyclic compoundnicotinamidemonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationoxaneprimary alcoholacetamidealcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
