| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:15:52 UTC |
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| Update Date | 2025-03-24 23:03:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01242122 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C33H43F3N9O18P3S2 |
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| Molecular Mass | 1067.1332 |
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| SMILES | CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)Cn2c3nc(=O)[nH]c(=O)c-3nc3cc(C)c(C)cc32)C(O)C1O |
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| InChI Key | PTXQQQSNIOBCIV-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 oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundspentose phosphatespurine ribonucleoside monophosphatespurine ribonucleoside triphosphatespurines and purine derivativespyrazinespyrimidonesquinoxalinessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
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| Substituents | lactampurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepteridineisoalloxazinearyl thioethersaccharidediazanaphthaleneorganonitrogen compoundpurine ribonucleoside triphosphateorganoheterocyclic compoundalcoholsulfenyl compoundazacyclealkyl fluoridedialkylthioetherheteroaromatic compoundsecondary aliphatic/aromatic aminethioethermonoalkyl phosphatehydrocarbon derivativeaminepentose phosphatepyrimidonealkylarylthioetherorganosulfur compoundorganohalogen compoundflavinpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundalkyl halideimidolactamazolen-substituted imidazolequinoxalinecarbonic acid derivativeflavin nucleotidetetrahydrofuranorganofluoridesecondary amineoxacycleorganic oxygen compoundphosphoric acid esterpyrazinesecondary alcoholbenzenoidpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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