| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:07:21 UTC |
|---|
| Update Date | 2025-03-21 18:29:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00079874 |
|---|
| Frequency | 36.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C21H29N10O16P3 |
|---|
| Molecular Mass | 770.0976 |
|---|
| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O |
|---|
| InChI Key | WSXOXSSDEKEEPT-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | purine nucleotides |
|---|
| Subclass | purine ribonucleotides |
|---|
| Direct Parent | purine ribonucleoside diphosphates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesphosphonic acid estersprimary aminespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
|---|
| Substituents | pentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepyrimidinephosphonic acid estersaccharideorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundimidolactamorganophosphonic acid derivativeorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
|---|
