| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:40:41 UTC |
|---|
| Update Date | 2025-03-21 17:58:48 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00016849 |
|---|
| Frequency | 252.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H27N4O8+ |
|---|
| Molecular Mass | 427.1823 |
|---|
| SMILES | NC(CCC(=O)C[n+]1cc(O)c(CC(N)C(=O)O)c(CCC(N)C(=O)O)c1)C(=O)O |
|---|
| InChI Key | GSKVLXLKVTXZDD-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 acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesketonesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinestricarboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinetricarboxylic acid or derivativesketoneorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
|---|
