| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:17 UTC |
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| Update Date | 2025-03-21 18:41:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134706 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C27H31N9O15P2 |
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| Molecular Mass | 783.1415 |
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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)C3O)c2cc1C |
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| InChI Key | MRWMJEQNQWYSTP-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 | acyloinsalpha-hydroxy ketonesazacyclic compoundsbenzenoidsbeta-hydroxy ketonesdiazanaphthalenesflavinsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrazinespyrimidonesquinoxalinessecondary alcoholstetrahydrofurans |
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| Substituents | beta-hydroxy ketonelactampurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinealpha-hydroxy ketonepteridineisoalloxazineketonesaccharidepurine ribonucleoside diphosphatediazanaphthaleneorganonitrogen compoundorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundorganic pyrophosphatemonoalkyl phosphatehydrocarbon derivativeprimary amineaminecarbonyl grouppentose phosphatepyrimidoneflavinpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidolactamazolen-substituted imidazolequinoxalinecarbonic acid derivativetetrahydrofuranflavin nucleotideoxacycleorganic oxygen compoundphosphoric acid esterpyrazineacyloinsecondary alcoholpurinebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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