| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 11:56:05 UTC |
|---|
| Update Date | 2025-03-24 21:24:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01768432 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H30F3N10O15P3S |
|---|
| Molecular Mass | 868.0778 |
|---|
| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O[PH](=O)OCC2OC(n3cnc4c(N)nc(SCCC(F)(F)F)nc43)C(O)C2O)C(O)C1O |
|---|
| InChI Key | OYVKMPNEUTYYLP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | purine nucleosides |
|---|
| Subclass | purine nucleosides |
|---|
| Direct Parent | purine nucleosides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganofluoridesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
|---|
| Substituents | pentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidinesaccharideorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofuranalkyl fluorideorganofluoridepurine nucleosideheteroaromatic compoundorganic pyrophosphateoxacycleorganic oxygen compoundphosphoric acid esterthioethermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
|---|
