Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:56 UTC |
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Update Date | 2025-03-21 18:35:22 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105299 |
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Frequency | 25.7 |
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Structure | |
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Chemical Formula | C10H17Cl2N3O16P4 |
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Molecular Mass | 628.8936 |
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SMILES | Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C2O)c(=O)n1 |
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InChI Key | WWPVUFDFMYJFIL-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 heteromonocyclic compounds |
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Alternative Parents | 1,2-diolsalkyl chloridesazacyclic compoundsbisphosphonatesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundsprimary aminespyrimidonessecondary alcoholstetrahydrofurans |
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Substituents | aromatic heteromonocyclic compoundpentose phosphatealkyl chlorideorganochloridepentose-5-phosphatepyrimidoneorganohalogen compoundpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundalkyl halideimidolactamorganophosphonic acid derivativeorganoheterocyclic compound1,2-diolalcoholbisphosphonatecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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