| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:21 UTC |
|---|
| Update Date | 2025-03-25 00:56:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02218350 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N4O7 |
|---|
| Molecular Mass | 326.0862 |
|---|
| SMILES | Cn1c(=O)[nH]c(=O)c2nc(C(=O)O)n(C3CC(O)C(CO)O3)c21 |
|---|
| InChI Key | NKXXYNDSYWSPPY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | purine nucleosides |
|---|
| Subclass | purine 2'-deoxyribonucleosides |
|---|
| Direct Parent | purine 2'-deoxyribonucleosides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurinonespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | lactamcarboxylic acidmonosaccharidepyrimidoneimidazopyrimidinecarboxylic acid derivativepurinonepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholpurine 2'-deoxyribonucleosideorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
|---|
