| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:49:07 UTC |
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| Update Date | 2025-03-25 00:25:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01321094 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C24H38F3N6O18P3S2 |
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| Molecular Mass | 912.0849 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(O)C(NC(C)=O)C(O)C2O)C(O)C1O |
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| InChI Key | WWFSHHCBBJFFER-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 | acetamidesacylaminosugarsalkyl fluoridesalkylarylthioethersamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethershemiacetalsheteroaromatic compoundshexose phosphateshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesn-acyl-alpha-hexosaminesn-substituted imidazolesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatespurine ribonucleoside monophosphatespurine ribonucleoside triphosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amidessulfenyl compoundstetrahydrofurans |
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| Substituents | amino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinearyl thioetherorganonitrogen compoundhemiacetaloxanepurine ribonucleoside triphosphateorganoheterocyclic compoundacetamidealcoholsulfenyl compoundazacyclealkyl fluoridedialkylthioetherheteroaromatic compoundsecondary aliphatic/aromatic aminesecondary carboxylic acid amidethioethermonoalkyl phosphatehydrocarbon derivativeaminecarbonyl grouppentose phosphatealkylarylthioetherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundn-acyl-alpha-hexosaminepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazoleamino saccharidetetrahydrofuranorganofluoridesecondary aminecarboxamide groupacylaminosugaroxacyclephosphoric acid estersecondary alcoholhexose phosphatepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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