| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:46:03 UTC |
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| Update Date | 2025-03-24 17:57:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01024619 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C27H33F3N10O17P2S |
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| Molecular Mass | 920.1173 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(NC(CC(=O)O)C(=O)O)nc(SCCC(F)(F)F)nc43)C(O)C2O)C(O)C1O |
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| InChI Key | XXQSCQAVCNSOBU-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 diphosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersalpha amino acidsamino acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganofluoridesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | carboxylic acidamino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatealpha-amino acid or derivativesimidazopyrimidinearyl thioethersaccharidepurine ribonucleoside diphosphateorganonitrogen compoundalpha-amino acidorganoheterocyclic compoundalcoholsulfenyl compoundazacyclealkyl fluorideheteroaromatic compoundorganic pyrophosphatesecondary aliphatic/aromatic aminethioethermonoalkyl phosphateaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineaminecarbonyl grouppentose phosphateamino acidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativeorganohalogen 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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