| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:37 UTC |
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| Update Date | 2025-03-25 00:59:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236991 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H26ClN9O19P4 |
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| Molecular Mass | 854.9984 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(Cl)ncnc43)C(O)C2O)C(O)C1O |
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| InChI Key | PZSZELJXWMFQJK-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 monophosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundshalopyrimidinesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurines and purine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatepurine ribonucleoside monophosphateorganochloridemonosaccharidepentose-5-phosphateimidazopyrimidineorganohalogen compoundpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolearyl chloridealcoholazacycletetrahydrofuranheteroaromatic compoundhalopyrimidinearyl halideoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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