| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:48 UTC |
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| Update Date | 2025-03-21 18:28:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071249 |
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| Frequency | 42.1 |
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| Structure | |
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| Chemical Formula | C11H16N4O10P2 |
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| Molecular Mass | 426.0342 |
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| SMILES | Nc1ccnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O |
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| InChI Key | SMYJCVCSNNPTDQ-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 compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatepolyhalopyridinepentose-5-phosphateimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineorganic pyrophosphateoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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