| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:33 UTC |
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| Update Date | 2025-03-21 18:00:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027949 |
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| Frequency | 135.3 |
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| Structure | |
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| Chemical Formula | C11H16Cl2N5O11P3 |
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| Molecular Mass | 556.9436 |
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| SMILES | Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)O1 |
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| InChI Key | AQFODBPFKZIBHW-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 | alkyl chloridesazacyclic compoundsbisphosphonatesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganochloridesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatealkyl chlorideorganochlorideimidazopyrimidineorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundalkyl halideimidolactamorganophosphonic acid derivativeorganoheterocyclic compoundazolen-substituted imidazolealcoholbisphosphonateazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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