| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:42 UTC |
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| Update Date | 2025-03-25 00:48:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170894 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16N5O9P |
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| Molecular Mass | 393.0686 |
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| SMILES | CNc1nc2c(O)nc(=O)n(C3OC(COP(=O)(O)O)C(O)C3O)c2[nH]1 |
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| InChI Key | XUZLTNPJEJSZPU-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 | pentose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkaloids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspurinonespyrimidonessecondary alcoholssecondary alkylarylaminestetrahydrofuransxanthines |
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| Substituents | pentose phosphatepentose-5-phosphatepyrimidonehydroxypyrimidineimidazopyrimidinepurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-diolalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundsecondary aminexanthinesecondary aliphatic/aromatic amineoxacyclealkaloid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamine |
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