| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:39 UTC |
|---|
| Update Date | 2025-03-21 18:03:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00047328 |
|---|
| Frequency | 70.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H21N5O12P2 |
|---|
| Molecular Mass | 501.0662 |
|---|
| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OCC(O)COP(=O)(O)O)C(O)C1O |
|---|
| InChI Key | QGMKOUZFERVLEI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | purine nucleotides |
|---|
| Subclass | purine ribonucleotides |
|---|
| Direct Parent | purine ribonucleoside monophosphates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsdialkyl phosphatesglycerophosphatesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
|---|
| Substituents | sn-glycerol-3-phosphatepentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacycledialkyl phosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
|---|
