| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:38:52 UTC |
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| Update Date | 2025-03-24 21:16:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01727549 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C22H35F3N5O18P3S2 |
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| Molecular Mass | 871.0583 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OC2C(O)OC(COP(=O)(O)O)C(O)C2O)C(O)C1O |
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| InChI Key | VVZOAJYBUNEIIB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | monosaccharides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsdialkylthioethershemiacetalsheteroaromatic compoundshexose phosphateshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganofluoridesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | purine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinearyl thioetherpurine ribonucleoside diphosphateorganonitrogen compoundhemiacetaloxaneorganoheterocyclic compoundalcoholsulfenyl compoundazacyclealkyl fluoridedialkylthioetherheteroaromatic compoundorganic pyrophosphatesecondary aliphatic/aromatic aminethioethermonoalkyl phosphatehydrocarbon derivativeaminepentose phosphatealkylarylthioetherorganosulfur compoundorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazoletetrahydrofuranorganofluoridesecondary amineoxacyclephosphoric acid estersecondary alcoholhexose phosphatepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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