Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 11:04:09 UTC |
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Update Date | 2025-03-24 21:00:56 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID01643793 |
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Frequency | 0.8 |
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Structure | |
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Chemical Formula | C36H49F3N15O25P5S2 |
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Molecular Mass | 1367.1106 |
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SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O |
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InChI Key | WXDYHTVZVWIXGF-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 fluoridesalkylarylthioethersazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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Substituents | pentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinealkylarylthioetherorganosulfur compoundorganohalogen compoundaryl thioetherpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofuranalkyl fluorideorganofluoridedialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundphosphoric acid esterthioethermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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