| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:46 UTC |
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| Update Date | 2025-03-21 18:34:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102411 |
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| Frequency | 26.6 |
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| Structure | |
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| Chemical Formula | C11H17N5O12P2 |
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| Molecular Mass | 473.0349 |
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| SMILES | Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C(OP(=O)(O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | QTQAAQICOOBXRK-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 | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | hexose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminespurines and purine derivativespyrimidonessecondary alcoholsvinylogous amides |
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| Substituents | lactampyrimidoneimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amideazacycleheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehypoxanthinehydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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