| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:35:18 UTC |
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| Update Date | 2025-03-24 21:14:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01718813 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C33H43N9O20P2 |
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| Molecular Mass | 947.21 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(OC3OC(CO)C(O)C(O)C3O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C |
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| InChI Key | PNDAKAQNXZIIMO-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 compoundsbenzenoidsdialkyl phosphatesdiazanaphthalenesflavinsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary alcoholsprimary aminespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrazinespyrimidonesquinoxalinessecondary alcoholstetrahydrofurans |
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| Substituents | lactampurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepteridineisoalloxazinesaccharidepurine ribonucleoside diphosphatediazanaphthaleneorganonitrogen compoundoxaneorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundorganic pyrophosphatemonoalkyl phosphatehydrocarbon derivativeprimary amineaminepentose phosphatepyrimidoneflavinpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundprimary alcoholimidolactamazolen-substituted imidazolequinoxalinecarbonic acid derivativeflavin nucleotidetetrahydrofuranoxacycledialkyl phosphateorganic oxygen compoundphosphoric acid esterpyrazinesecondary alcoholpurinebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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