| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:55 UTC |
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| Update Date | 2025-03-21 18:39:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126832 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C21H26N6O12P+ |
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| Molecular Mass | 585.1341 |
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| SMILES | NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]cnc54)C(O)C3O)C(O)C2O)c1 |
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| InChI Key | FRUFPQGIGNYCOB-UHFFFAOYSA-O |
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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 | purine nucleotides |
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| Subclass | purine ribonucleotides |
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| Direct Parent | purine ribonucleoside monophosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshypoxanthinesimidazoleslactamsmonosaccharidesn-substituted imidazolesnicotinamidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespurines and purine derivativespyridine nucleotidespyridinecarboxylic acids and derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativeslactampentose phosphatepurine ribonucleoside monophosphatenicotinamidemonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidinecarboxylic acid derivativepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundazolen-substituted imidazolepyridine nucleotidealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinecarboxamide groupoxacycledialkyl phosphatepyridineorganic oxygen compoundphosphoric acid estersecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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