| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:22 UTC |
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| Update Date | 2025-03-25 00:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234132 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N4O8P |
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| Molecular Mass | 402.094 |
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| SMILES | CC(=O)Nc1nc2c(cc1C)ncn2C1OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | IGMYRHJTJCLXGC-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-halopyridinesacetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesimidolactamsmethylpyridinesmonoalkyl phosphatesmonosaccharidesn-acetylarylaminesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | carbonyl groupn-acetylarylaminepentose phosphatepolyhalopyridinepentose-5-phosphaten-arylamideimidazopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundacetamideazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupoxacyclesecondary carboxylic acid amidepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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