| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:19 UTC |
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| Update Date | 2025-03-25 00:47:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160873 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N5O8P2 |
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| Molecular Mass | 381.0239 |
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| SMILES | Nc1nc2c(ncn2CC=CCOP(=O)(O)OP(=O)(O)O)c(=O)[nH]1 |
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| InChI Key | QDYJOTOZWAGHLR-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 | hypoxanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonoalkyl phosphatesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganooxygen compoundsorganopnictogen compoundsprimary aminespurines and purine derivativespyrimidonesvinylogous amides |
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| Substituents | lactampyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolen-substituted imidazolevinylogous amideazacycleheteroaromatic compoundorganic pyrophosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehypoxanthinehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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