| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:42:52 UTC |
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| Update Date | 2025-03-24 22:11:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02021433 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C27H43F3N6O17P2S2 |
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| Molecular Mass | 906.1553 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(C(O)C(O)CO)C(NC(C)=O)C(O)C2O)C(O)C1O |
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| InChI Key | ODNLOPRNKPBHBO-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 | acetamidesalkyl fluoridesalkylarylthioethersamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkyl ethersdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganofluoridesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary alcoholspurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amidessulfenyl compoundstetrahydrofurans |
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| Substituents | amino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinedialkyl etheraryl thioetherpurine ribonucleoside diphosphateorganonitrogen compoundoxaneorganoheterocyclic compoundacetamidealcoholsulfenyl compoundazacyclealkyl fluoridedialkylthioetherheteroaromatic compoundorganic pyrophosphatesecondary aliphatic/aromatic aminesecondary carboxylic acid amidethioethermonoalkyl phosphatehydrocarbon derivativeaminecarbonyl groupetherpentose phosphatealkylarylthioetherorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideprimary alcoholimidolactamazolen-substituted imidazoletetrahydrofuranorganofluoridesecondary aminecarboxamide groupoxacyclephosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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