| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:07:34 UTC |
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| Update Date | 2025-03-24 21:29:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01795158 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C20H27Cl2N7O20P4 |
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| Molecular Mass | 878.9638 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C1O |
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| InChI Key | MESHAYOFDCIYFR-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 | alkyl chloridesazacyclic compoundsbisphosphonatesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesphosphonic acid estersprimary aminespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatealkyl chlorideorganochloridepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidineorganohalogen compoundpyrimidinephosphonic acid estersaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundalkyl halideimidolactamorganophosphonic acid derivativeorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amidebisphosphonatecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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