| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:36:37 UTC |
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| Update Date | 2025-03-24 13:59:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00714388 |
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| Frequency | 2.2 |
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| Structure | |
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| Chemical Formula | C26H36F3N10O16P3S2 |
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| Molecular Mass | 958.0917 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(O)OP(=O)(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O |
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| InChI Key | ZDXQKOMLOYQQHB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | purine nucleosides |
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| Subclass | purine nucleosides |
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| Direct Parent | purine nucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic phosphitesorganofluoridesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | purine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinearyl thioethersaccharidepurine ribonucleoside diphosphateorganonitrogen compoundorganoheterocyclic compoundalcoholsulfenyl compoundazacyclealkyl fluoridedialkylthioetherpurine nucleosideheteroaromatic compoundsecondary aliphatic/aromatic aminethioethermonoalkyl phosphatehydrocarbon derivativeprimary amineaminepentose phosphatealkylarylthioetherorganosulfur compoundorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazoleorganic phosphitetetrahydrofuranorganofluoridesecondary amineoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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