| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:34:57 UTC |
|---|
| Update Date | 2025-03-21 17:56:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00003732 |
|---|
| Frequency | 1554.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H28N10O18P4 |
|---|
| Molecular Mass | 820.0534 |
|---|
| SMILES | Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)O1 |
|---|
| InChI Key | VMVPBXDVIPYXOV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | purine nucleotides |
|---|
| Subclass | purine deoxyribonucleotides |
|---|
| Direct Parent | purine 2'-deoxyribonucleoside polyphosphates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
|---|
| Substituents | pentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepurine 2'-deoxyribonucleoside polyphosphatepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
|---|
