| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:20 UTC |
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| Update Date | 2025-03-21 18:38:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123126 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C9H13N5O9P2 |
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| Molecular Mass | 397.0188 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(CO)C1OP(=O)(O)OP(=O)(O)O |
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| InChI Key | MCPMUQFNXLWGAS-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 oxidesorganopnictogen compoundsoxacyclic compoundsoxetanesprimary alcoholsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivatives |
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| Substituents | imidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphateoxetanehydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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