| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:37:43 UTC |
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| Update Date | 2025-03-24 14:30:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00861324 |
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| Frequency | 1.7 |
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| Structure | |
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| Chemical Formula | C24H30F3N8O16P3S |
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| Molecular Mass | 868.0665 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4ccc(SCCC(F)(F)F)nc43)C(O)C2O)C(O)C1O |
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| InChI Key | CGQGWTZDCBLLQI-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 | 2-halopyridinesalkyl fluoridesalkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundspentose phosphatespolyhalopyridinesprimary aminespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
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| Substituents | purine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidineimidazopyridinearyl thioethersaccharideorganonitrogen compoundpurine ribonucleoside triphosphateorganoheterocyclic compoundalcoholsulfenyl compoundazacyclealkyl fluorideheteroaromatic compoundpyridinethioethermonoalkyl phosphatehydrocarbon derivativeprimary amineaminepentose phosphatepolyhalopyridinealkylarylthioetherorganosulfur compoundorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halide2-halopyridineimidolactamazolen-substituted imidazoletetrahydrofuranorganofluoridehydroxypyridineoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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