| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:50:11 UTC |
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| Update Date | 2025-03-24 21:21:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01754644 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C25H36F3N7O21P4S2 |
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| Molecular Mass | 1015.0308 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C1OP(=O)(O)O |
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| InChI Key | JYNILYMHTJEUFA-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 nucleotides |
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| Subclass | purine ribonucleotides |
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| Direct Parent | purine ribonucleoside triphosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundspentose phosphatespurine ribonucleoside 2',5'-bisphosphatespurines and purine derivativespyrimidine ribonucleoside triphosphatespyrimidonessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | pyrimidine ribonucleoside triphosphatelactammonosaccharidepentose-5-phosphateimidazopyrimidinearyl thioethersaccharidepurine ribonucleoside 2',5'-bisphosphateorganonitrogen compoundpurine ribonucleoside triphosphateorganoheterocyclic compoundalcoholvinylogous amidesulfenyl compoundazacyclealkyl fluoridedialkylthioetherheteroaromatic compoundsecondary aliphatic/aromatic aminethioethermonoalkyl phosphatehydrocarbon derivativeaminepentose phosphatepyrimidonealkylarylthioetherorganosulfur compoundorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazolecarbonic acid derivativetetrahydrofuranorganofluoridesecondary amineoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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