| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:11 UTC |
|---|
| Update Date | 2025-03-25 00:54:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02206209 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H21N2O8+ |
|---|
| Molecular Mass | 357.1292 |
|---|
| SMILES | NC(CCOC(=O)c1ccc[n+](C2OC(CO)C(O)C2O)c1)C(=O)O |
|---|
| InChI Key | UAQJUBDAVNIGRE-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyridine-3-carboxylic acidssecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidmonosaccharidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationprimary alcoholorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundcarboxylic acid esterpyridine carboxylic acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
