| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:33 UTC |
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| Update Date | 2025-03-21 18:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032650 |
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| Frequency | 231.7 |
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| Structure | |
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| Chemical Formula | C21H28N6O15P2 |
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| Molecular Mass | 666.1088 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(=O)[nH]cnc54)C(O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | WXWNHSQIXJHVJY-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 | pyridine nucleotides |
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| Subclass | nicotinamide nucleotides |
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| Direct Parent | nicotinamide nucleotides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesn-substituted nicotinamidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary carboxylic acid amidespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouplactampentose phosphatepurine ribonucleoside monophosphatenicotinamidemonosaccharidepentose-5-phosphatepyrimidonenicotinamide-nucleotideimidazopyrimidinecarboxylic acid derivativepyrimidinesaccharideorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compounddihydropyridineorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide grouporganic pyrophosphaten-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundenamine |
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