| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:37:36 UTC |
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| Update Date | 2025-03-24 22:09:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02008831 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C26H35F3N7O18P3S |
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| Molecular Mass | 915.0924 |
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| SMILES | CC(=O)Nc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N3C=CCC(C(N)=O)=C3)C(O)C2O)C(O)C1O |
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| InChI Key | UEXKLEFTDUOJIN-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 | acetamidesalkyl fluoridesalkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-acetylarylaminesn-substituted imidazolesn-substituted nicotinamidesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespurine ribonucleoside monophosphatespurine ribonucleoside triphosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidessulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | n-acetylarylaminepurine ribonucleoside monophosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotideimidazopyrimidinearyl thioethersaccharideorganonitrogen compounddihydropyridinepurine ribonucleoside triphosphateorganoheterocyclic compoundacetamidealcoholvinylogous amidesulfenyl compoundazacyclealkyl fluorideheteroaromatic compoundsecondary carboxylic acid amidethioethermonoalkyl phosphatehydrocarbon derivativeenamineprimary carboxylic acid amidecarbonyl grouppentose phosphaten-arylamidealkylarylthioetherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazoletetrahydrofuranorganofluoridecarboxamide groupn-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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