| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:34:56 UTC |
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| Update Date | 2025-03-24 21:41:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01860512 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C27H34F6N6O14P2S2 |
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| Molecular Mass | 906.0954 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(SCCC(F)(F)F)nc(SCCC(F)(F)F)nc54)C(O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | VHCXANADLWSLDU-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 | pyridine nucleotides |
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| Subclass | nicotinamide nucleotides |
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| Direct Parent | nicotinamide nucleotides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesn-substituted nicotinamidesorganic oxidesorganic pyrophosphatesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | purine ribonucleoside monophosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotideimidazopyrimidinearyl thioethersaccharidepurine ribonucleoside diphosphateorganonitrogen compounddihydropyridineorganoheterocyclic compoundalcoholvinylogous amidesulfenyl compoundazacyclealkyl fluorideheteroaromatic compoundorganic pyrophosphatethioethermonoalkyl phosphatehydrocarbon derivativeenamineprimary carboxylic acid amidecarbonyl grouppentose phosphatealkylarylthioetherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideazolen-substituted imidazoletetrahydrofuranorganofluoridecarboxamide groupn-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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