| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:34:04 UTC |
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| Update Date | 2025-03-21 18:45:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00143423 |
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| Frequency | 50.3 |
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| Structure | |
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| Chemical Formula | C10H14N4O12P2 |
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| Molecular Mass | 444.0083 |
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| SMILES | O=c1nc(O)c2nc[nH]c2n1C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O |
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| InChI Key | CHHQDDXOYVKQME-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 oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspurinonespyrimidonessecondary alcoholstetrahydrofuransxanthines |
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| Substituents | pentose phosphatepentose-5-phosphatepyrimidonehydroxypyrimidineimidazopyrimidinepurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-diolalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundxanthineorganic pyrophosphateoxacyclealkaloid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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