| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:26 UTC |
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| Update Date | 2025-03-21 18:42:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137355 |
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| Frequency | 18.2 |
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| Structure | |
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| Chemical Formula | C10H17ClN3O14P3 |
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| Molecular Mass | 530.9612 |
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| SMILES | Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)C(O)(Cl)P(=O)(O)O)C(O)C2O)c(=O)n1 |
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| InChI Key | VWPBPQDBBQJBKY-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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