| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:03:23 UTC |
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| Update Date | 2025-03-24 21:00:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01641893 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C19H30Cl2F3N5O19P4S |
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| Molecular Mass | 914.9535 |
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| SMILES | O=P(O)(O)OCC(O)C(O)C(O)CNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C1O |
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| InChI Key | QHDGIIOMPLJQRN-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 monophosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl chloridesalkyl fluoridesalkylarylthioethersazacyclic compoundsbisphosphonatesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganochloridesorganofluoridesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | purine ribonucleoside monophosphatealkyl chlorideorganochloridemonosaccharidepentose-5-phosphateimidazopyrimidinearyl thioethersaccharideorganonitrogen compoundorganophosphorus compoundorganophosphonic acid derivativeorganoheterocyclic compoundalcoholsulfenyl compoundazacyclealkyl fluorideheteroaromatic compoundsecondary aliphatic/aromatic aminethioethermonoalkyl phosphatehydrocarbon derivativeaminepentose phosphatealkylarylthioetherorganosulfur compoundorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazolebisphosphonatetetrahydrofuranorganofluoridesecondary amineoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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