| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:04 UTC |
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| Update Date | 2025-03-21 18:30:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081580 |
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| Frequency | 35.5 |
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| Structure | |
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| Chemical Formula | C28H36N9O17P3 |
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| Molecular Mass | 863.1442 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3CP(=O)(O)O)c2cc1C |
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| InChI Key | KLGLRSRCJLZWKP-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 | azacyclic compoundsbenzenoidsdiazanaphthalenesflavinsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsmonoalkyl phosphatesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganic phosphonic acids and derivativesorganic pyrophosphatesorganophosphorus compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine 3'-deoxyribonucleoside diphosphatespurines and purine derivativespyrazinespyrimidonesquinoxalinessecondary alcoholstetrahydrofurans |
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| Substituents | lactampentose phosphatepyrimidoneimidazopyrimidinepteridineisoalloxazineflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganophosphorus compoundimidolactamorganophosphonic acid derivativeorganoheterocyclic compoundazolen-substituted imidazolealcoholquinoxalinecarbonic acid derivativeazacycleflavin nucleotidetetrahydrofuranheteroaromatic compoundpurine 3'-deoxyribonucleoside diphosphateorganic pyrophosphateoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativebenzenoidprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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