| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:02 UTC |
|---|
| Update Date | 2025-03-25 00:59:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02240185 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H25N5O6 |
|---|
| Molecular Mass | 407.1805 |
|---|
| SMILES | NC(CCCCn1cccc2nc(NC(CCCC(=O)O)C(=O)O)nc1-2)C(=O)O |
|---|
| InChI Key | VRYSRACECFHKKM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | delta amino acids and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmonoalkylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alkylarylaminestricarboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidpolyhalopyridinetricarboxylic acid or derivativesalpha-amino acid or derivativesimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivatives2-halopyridineorganoheterocyclic compoundazoleazacycleheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic aminepyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
|---|
