| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:36 UTC |
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| Update Date | 2025-03-21 18:36:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111821 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C10H14ClN5O9P2 |
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| Molecular Mass | 444.9955 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(Cl)OP(=O)(O)O)C(O)C1O |
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| InChI Key | OOBHDJHNSLBZFU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | purines and purine derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphosphate estersprimary aminespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | monosaccharidepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeamineorganooxygen compound |
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