| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:11 UTC |
|---|
| Update Date | 2025-03-21 18:41:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00132228 |
|---|
| Frequency | 19.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H37N4O6+ |
|---|
| Molecular Mass | 453.2708 |
|---|
| SMILES | CCCC[n+]1cc(CCC(N)C(=O)O)c(CCCC(N)C(=O)O)c(CCC(N)C(=O)O)c1 |
|---|
| InChI Key | RKVBMAFVBYTCOZ-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 acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinestricarboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinetricarboxylic acid or derivativesorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
|---|
