| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:30 UTC |
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| Update Date | 2025-03-21 18:33:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094402 |
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| Frequency | 29.5 |
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| Structure | |
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| Chemical Formula | C16H24ClN5O14P2 |
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| Molecular Mass | 607.0484 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OC2OC(CO)C(Cl)C(O)C2O)C(O)C1O |
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| InChI Key | TTXQNXPEMVUSRA-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 | monosaccharides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl chloridesazacyclic compoundschlorohydrinsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganochloridesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary alcoholsprimary aminespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | chlorohydrinpentose phosphatepurine ribonucleoside monophosphatealkyl chlorideorganochloridemonosaccharidepentose-5-phosphateimidazopyrimidineorganohalogen compoundpyrimidineorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halideoxaneprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranhalohydrinheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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