| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:06 UTC |
|---|
| Update Date | 2025-03-25 00:59:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02238058 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H16N5O10P |
|---|
| Molecular Mass | 445.0635 |
|---|
| SMILES | O=C(O)CC(Nc1ncnc2ncn(C3OC4COP(=O)(O)OC4C3O)c12)C(=O)O |
|---|
| InChI Key | IIOLTTAGZHSHFS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | pentose phosphates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganic phosphoric acids and derivativesorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
|---|
| Substituents | carbonyl groupcarboxylic acidpentose phosphateamino acid or derivativesamino acidalpha-amino acid or derivativesimidazopyrimidinecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativeamine |
|---|
