| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:37:42 UTC |
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| Update Date | 2025-03-24 21:42:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01866971 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C24H31F2N10O18P3S |
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| Molecular Mass | 910.0719 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)nc(SCCC(F)(F)C(=O)O)nc43)C(O)C2O)C(O)C1O |
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| InChI Key | ZHXSRGSNBFBBRC-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 fluoridesalkylarylthioethersalpha-halocarboxylic acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty acylshalogenated fatty acidsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidsimidazolesimidolactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofuransthia fatty acids |
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| Substituents | alpha-halocarboxylic acid or derivativescarboxylic acidamino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinealpha-halocarboxylic acidaryl thioethersaccharideorganonitrogen compoundhydroxy fatty acidpurine ribonucleoside triphosphateorganoheterocyclic compoundalcoholsulfenyl compoundazacyclealkyl fluorideheteroaromatic compoundthioethermonoalkyl phosphatehydrocarbon derivativeprimary amineaminefatty acylcarbonyl grouppentose phosphateamino acidalkylarylthioetherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazolehalogenated fatty acidtetrahydrofuranorganofluorideoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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