| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:09:31 UTC |
|---|
| Update Date | 2025-03-21 18:31:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00084968 |
|---|
| Frequency | 33.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H33N4O9+ |
|---|
| Molecular Mass | 497.2242 |
|---|
| SMILES | NC(CCCC[n+]1cc(CCC(N)C(=O)O)c(CC(=O)C(=O)O)c(CCC(N)C(=O)O)c1)C(=O)O |
|---|
| InChI Key | AZDLXABBTPZGDT-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | tetracarboxylic acids and derivatives |
|---|
| Direct Parent | tetracarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealpha-amino acid or derivativesalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinetetracarboxylic acid or derivativespyridineorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
