| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:41:32 UTC |
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| Update Date | 2025-03-24 20:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01589838 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C27H38F3N6O18P3S2 |
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| Molecular Mass | 948.0849 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N3C=CCC(C(=O)O)=C3)C(O)C2O)C(O)C1O |
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| InChI Key | XPKBWAKSTLXBPP-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 fluoridesalkylarylthioethersamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundspentose phosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | carboxylic acidamino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinearyl thioethersaccharideorganonitrogen compounddihydropyridinepurine ribonucleoside triphosphateorganoheterocyclic compoundalcoholvinylogous amidesulfenyl compoundazacyclealkyl fluoridedialkylthioetherheteroaromatic compoundsecondary aliphatic/aromatic aminethioethermonoalkyl phosphatehydrocarbon derivativeamineenaminecarbonyl grouppentose phosphateamino acidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazoletetrahydrofuranorganofluoridesecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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