| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:03 UTC |
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| Update Date | 2025-03-21 18:40:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131938 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C23H33N7O15P2 |
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| Molecular Mass | 709.151 |
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| SMILES | CN(C)c1nc(=O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCC4OC(N5C=CCC(C(N)=O)=C5)C(O)C4O)C(O)C3O)c2[nH]1 |
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| InChI Key | CQHQXVXOVFPJHA-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 | aminopyrimidines and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylarylaminesdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesmonoalkyl 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 grouppentose phosphatepurine ribonucleoside monophosphatenicotinamidemonosaccharidepentose-5-phosphatepyrimidonenicotinamide-nucleotideimidazopyrimidinecarboxylic acid derivativepyrimidinesaccharideorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compounddihydropyridinedialkylarylamineorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide grouporganic pyrophosphateaminopyrimidinen-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundenamine |
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