| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:04 UTC |
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| Update Date | 2025-03-25 00:51:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185476 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17N4O8P |
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| Molecular Mass | 424.0784 |
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| SMILES | Nc1ncnc2c1c1ccccc1c(=O)n2C1OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | SOMDASOILGFNQN-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-diols2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsisoquinolones and derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary aminespyridinonespyrido[2,3-d]pyrimidinespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | lactampentose phosphatepolyhalopyridinepentose-5-phosphatepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compoundisoquinolone2-halopyridineimidolactamorganoheterocyclic compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridinepyrido[2,3-d]pyrimidinephosphoric acid estermonoalkyl phosphateisoquinolinesecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundpyridinoneorganic phosphoric acid derivativeaminealkyl phosphate |
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