| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:56 UTC |
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| Update Date | 2025-03-25 01:01:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251538 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14Cl3N5O5 |
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| Molecular Mass | 413.0061 |
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| SMILES | OCC1OC(n2cnc3c(NC(O)C(Cl)(Cl)Cl)ncnc32)C(O)C1O |
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| InChI Key | GZZXOMYSVZMHQT-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 nucleosides |
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| Subclass | purine nucleosides |
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| Direct Parent | purine nucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkanolaminesalkyl chloridesazacyclic compoundschlorohydrinsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganochloridesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | chlorohydrinalkyl chlorideorganochloridemonosaccharideimidazopyrimidineorganohalogen compoundpyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideprimary alcoholimidolactamorganoheterocyclic compoundalkanolamineazolen-substituted imidazolealcoholazacycletetrahydrofuranhalohydrinpurine nucleosideheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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