| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:25 UTC |
|---|
| Update Date | 2025-03-25 00:51:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02186307 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18N3O5+ |
|---|
| Molecular Mass | 284.1241 |
|---|
| SMILES | NCC1OC([n+]2cccc(C(N)=O)c2)C(O)C(O)C1O |
|---|
| InChI Key | WNQHVIRFZWGBCW-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 derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonosaccharidesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary carboxylic acid amidessecondary alcoholsvinylogous amides |
|---|
| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundnicotinamidemonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationoxanealcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
