| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:17 UTC |
|---|
| Update Date | 2025-03-25 00:54:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02206452 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H21N7O6 |
|---|
| Molecular Mass | 395.1553 |
|---|
| SMILES | NC(CCCNc1nc2nc[nH]c(NC(CCC(=O)O)C(=O)O)c-2n1)C(=O)O |
|---|
| InChI Key | CKBFXHHQNJCPCQ-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 | glutamic acid and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesorganic oxidesorganopnictogen compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alkylarylaminestricarboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundglutamic acid or derivativessecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic aminepurineorganic nitrogen compoundorganooxygen compoundamine |
|---|
