| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:57 UTC |
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| Update Date | 2025-03-25 00:59:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237723 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N6O9P2 |
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| Molecular Mass | 462.0454 |
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| SMILES | Nc1ncnc2c1ncc1c2ncn1C1CC(O)C(COP(=O)(O)OP(=O)(O)O)O1 |
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| InChI Key | MOIVPYUFODXMIP-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 | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary aminespyridopyrimidinespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatepolyhalopyridineimidazopyridinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundpyridopyrimidineorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineorganic pyrophosphateoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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