| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:45:38 UTC |
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| Update Date | 2025-03-25 01:33:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02445422 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H36ClN10O20P3 |
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| Molecular Mass | 936.1009 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(OC2OC(CO)C(Cl)C(O)C2O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O |
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| InChI Key | DNRSFLUVAQSQIK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | monosaccharides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl chloridesazacyclic compoundschlorohydrinsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesn-substituted imidazolesorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary alcoholsprimary aminespurine ribonucleoside monophosphatespurine ribonucleoside triphosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | chlorohydrinpentose phosphatepurine ribonucleoside monophosphatealkyl chlorideorganochloridemonosaccharidepentose-5-phosphateimidazopyrimidineorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideoxaneprimary alcoholimidolactampurine ribonucleoside triphosphateorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranhalohydrinheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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