| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:56:47 UTC |
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| Update Date | 2025-03-25 01:14:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02331632 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H29Cl2N10O21P5 |
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| Molecular Mass | 981.9574 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OC2C(O)C(COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)OC2n2cnc3c(N)ncnc32)C(O)C1O |
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| InChI Key | NBHBKRLTSSOEFZ-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 chloridesazacyclic compoundsbisphosphonatesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganochloridesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside 2',5'-bisphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatepurine ribonucleoside monophosphatealkyl chlorideorganochloridemonosaccharidepentose-5-phosphateimidazopyrimidineorganohalogen compoundpyrimidinesaccharideorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazolepurine ribonucleoside 2',5'-bisphosphateorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundalkyl halideimidolactamorganophosphonic acid derivativeorganoheterocyclic compoundazolen-substituted imidazolealcoholbisphosphonateazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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