| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:12 UTC |
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| Update Date | 2025-03-25 00:47:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160612 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13N5O8P2 |
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| Molecular Mass | 369.0239 |
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| SMILES | Nc1ncnc2c1ncn2COCCOP(=O)(O)OP(=O)(O)O |
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| InChI Key | CSTXJCFXWUAKDU-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 | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesn-substituted imidazolesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivatives |
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| Substituents | imidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazoleazacycleheteroaromatic compoundorganic pyrophosphatephosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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