| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:34:54 UTC |
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| Update Date | 2025-03-24 22:16:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01141393 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C32H40F3N9O14P2S2 |
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| Molecular Mass | 957.1563 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)Cn2c3nc(=O)[nH]c(=O)c-3nc3cc(C)c(C)cc32)C(O)C1O |
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| InChI Key | OBMKTDGEJLQGJS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | flavin nucleotides |
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| Subclass | flavin nucleotides |
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| Direct Parent | flavin nucleotides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylarylthioethersazacyclic compoundsbenzenoidsdialkylthioethersdiazanaphthalenesflavinsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganofluoridesorganopnictogen compoundsoxacyclic compoundspentose phosphatespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrazinespyrimidonesquinoxalinessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | lactampurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepteridineisoalloxazinearyl thioethersaccharidepurine ribonucleoside diphosphatediazanaphthaleneorganonitrogen compoundorganoheterocyclic compoundalcoholsulfenyl compoundazacyclealkyl fluoridedialkylthioetherheteroaromatic compoundorganic pyrophosphatesecondary aliphatic/aromatic aminethioethermonoalkyl phosphatehydrocarbon derivativeaminepentose phosphatepyrimidonealkylarylthioetherorganosulfur compoundorganohalogen compoundflavinpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazolequinoxalinecarbonic acid derivativetetrahydrofuranflavin nucleotideorganofluoridesecondary amineoxacycleorganic oxygen compoundphosphoric acid esterpyrazinesecondary alcoholpurinebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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