| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:20 UTC |
|---|
| Update Date | 2025-03-25 00:57:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02222941 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18N3O6+ |
|---|
| Molecular Mass | 312.119 |
|---|
| SMILES | NC(CCc1cc(O)c[n+](CC(=O)NCC(=O)O)c1)C(=O)O |
|---|
| InChI Key | FCPGLQQHEBPKBB-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 | acyl glycines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupn-acylglycinesecondary carboxylic acid amidepyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
