| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:45:46 UTC |
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| Update Date | 2025-03-25 01:33:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02445707 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C31H41N12O21P3 |
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| Molecular Mass | 1010.1722 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(OCC3OC(n4cnc5c(=O)[nH]c(N)nc54)C(O)C3O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | BGUNDYNIMGQVLM-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 | amino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkyl phosphatesdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesn-substituted nicotinamidesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminesprimary carboxylic acid amidespurine ribonucleoside 2',5'-bisphosphatespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamamino acid or derivativespurine ribonucleoside monophosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotideimidazopyrimidinesaccharidepurine ribonucleoside diphosphatepurine ribonucleoside 2',5'-bisphosphateorganonitrogen compounddihydropyridineorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundorganic pyrophosphatemonoalkyl phosphatehypoxanthinehydrocarbon derivativeprimary amineamineenamineprimary carboxylic acid amidecarbonyl grouppentose phosphatepyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidolactamazolen-substituted imidazoletetrahydrofurancarboxamide groupn-substituted nicotinamideoxacycledialkyl phosphateorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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