| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:36 UTC |
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| Update Date | 2025-03-25 00:51:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186727 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N4O13P3 |
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| Molecular Mass | 506.0005 |
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| SMILES | Nc1ccnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C1O |
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| InChI Key | KZXNGIPRIHPCJO-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 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 compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineorganic pyrophosphateoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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