| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:52:28 UTC |
|---|
| Update Date | 2025-03-25 00:50:59 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02184067 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C27H40N5O10+ |
|---|
| Molecular Mass | 594.277 |
|---|
| SMILES | NC(CCCC[n+]1cc(CCC(N)C(=O)O)c(CCCC(N)C(=O)O)c2[nH]c(CCC(=O)O)c(CC(=O)O)c21)C(=O)O |
|---|
| InChI Key | XMOOPXQMLDXYJN-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | pentacarboxylic acids and derivatives |
|---|
| Direct Parent | pentacarboxylic acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyrroles |
|---|
| Substituents | carbonyl groupcarboxylic acidpolyhalopyridinealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinepentacarboxylic acid or derivativespyridineorganic oxygen compoundpyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
