| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:08:48 UTC |
|---|
| Update Date | 2025-03-21 18:30:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00083296 |
|---|
| Frequency | 34.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H22N3O6+ |
|---|
| Molecular Mass | 340.1503 |
|---|
| SMILES | CC(=O)C[n+]1cc(O)c(CC(N)C(=O)O)c(CCC(N)C(=O)O)c1 |
|---|
| InChI Key | RSKVTOFKYKOUMQ-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 compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesketonesmethylpyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
