| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:07:42 UTC |
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| Update Date | 2025-03-24 21:02:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01652358 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C31H44N12O29P6 |
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| Molecular Mass | 1234.0763 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | CCLYCBFRDBUNON-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 derivativesdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesn-substituted nicotinamidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminesprimary carboxylic acid amidespurine ribonucleoside 2',5'-bisphosphatespurine ribonucleoside monophosphatespurine ribonucleoside triphosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl grouppentose phosphateamino acid or derivativespurine ribonucleoside monophosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotideimidazopyrimidinecarboxylic acid derivativepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazolepurine ribonucleoside 2',5'-bisphosphateorganonitrogen compoundorganopnictogen compounddihydropyridineimidolactampurine ribonucleoside triphosphateorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupn-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compoundenamine |
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