| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:43:04 UTC |
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| Update Date | 2025-03-21 22:54:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00587668 |
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| Frequency | 2.8 |
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| Structure | |
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| Chemical Formula | C27H39F3N10O18P4S2 |
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| Molecular Mass | 1036.0788 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2CP(=O)(O)O)C(O)C1O |
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| InChI Key | SNTVVPSZLFAERP-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 derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic phosphonic acids and derivativesorganofluoridesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | purine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinearyl thioethersaccharideorganonitrogen compoundorganophosphorus compoundpurine ribonucleoside triphosphateorganophosphonic acid derivativeorganoheterocyclic compoundalcoholsulfenyl compoundazacyclealkyl fluoridedialkylthioetherheteroaromatic compoundsecondary aliphatic/aromatic aminethioethermonoalkyl phosphatehydrocarbon derivativeprimary amineaminepentose phosphatealkylarylthioetherorganosulfur compoundorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazoletetrahydrofuranorganofluoridesecondary amineoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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