| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:40:42 UTC |
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| Update Date | 2025-03-24 22:19:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01155626 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C24H31F3N6O18P3S+ |
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| Molecular Mass | 873.0575 |
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| SMILES | NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]c(SCCC(F)(F)F)nc54)C(O)C3O)C(O)C2O)c1 |
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| InChI Key | BBNBZYCKQXOGMC-UHFFFAOYSA-O |
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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 | pyridine nucleotides |
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| Subclass | pyridine nucleotides |
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| Direct Parent | pyridine nucleotides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshypoxanthinesimidazoleslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesnicotinamidesorganic cationsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespurine ribonucleoside monophosphatespurine ribonucleoside triphosphatespurines and purine derivativespyridinecarboxylic acids and derivativespyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativeslactampurine ribonucleoside monophosphatenicotinamidemonosaccharidepentose-5-phosphateimidazopyrimidinearyl thioethersaccharideorganonitrogen compoundpurine ribonucleoside triphosphateorganoheterocyclic compoundpyridine nucleotidealcoholvinylogous amidesulfenyl compoundazacyclealkyl fluorideheteroaromatic compoundpyridinethioethermonoalkyl phosphatehypoxanthinehydrocarbon derivativeprimary carboxylic acid amidepentose phosphatepyrimidonealkylarylthioetherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideorganic cationazolen-substituted imidazoletetrahydrofuranorganofluoridehydroxypyridinecarboxamide groupoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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