| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:42 UTC |
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| Update Date | 2025-03-25 00:53:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198240 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H26N4O16P2 |
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| Molecular Mass | 616.0819 |
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| SMILES | Nc1ncnc2c(=O)ccn(C3OC(COP(=O)(O)OP(=O)(O)OC4OC(CO)C(O)C(O)C4O)C(O)C3O)c12 |
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| InChI Key | DVKRECMKADPMFP-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 derivativeshydroxypyridinesimidolactamsmonoalkyl phosphatesmonosaccharidesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxanespolyhalopyridinesprimary alcoholsprimary aminespyridopyrimidinespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | pentose phosphatepolyhalopyridinepentose-5-phosphatepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compound2-halopyridineoxaneprimary alcoholimidolactamorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineorganic pyrophosphateoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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