| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:37:50 UTC |
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| Update Date | 2025-03-21 22:52:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00575174 |
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| Frequency | 2.9 |
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| Structure | |
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| Chemical Formula | C29H44N8O25P4 |
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| Molecular Mass | 1028.1368 |
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| SMILES | CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=CCC(C(N)=O)=C3)C(O)C2O)C(O)C1O |
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| InChI Key | JEZBCPKBOIGREN-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 | acetamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenaminesheteroaromatic compoundshexose phosphateshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-acyl-alpha-hexosaminesn-substituted imidazolesn-substituted nicotinamidesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxanespentose phosphatesprimary aminesprimary carboxylic acid amidespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | amino acid or derivativespurine ribonucleoside monophosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotideimidazopyrimidinesaccharidepurine ribonucleoside diphosphateorganonitrogen compounddihydropyridineoxaneorganoheterocyclic compoundacetamidealcoholvinylogous amideazacycleheteroaromatic compoundorganic pyrophosphatesecondary carboxylic acid amidemonoalkyl phosphatehydrocarbon derivativeprimary amineamineenamineprimary carboxylic acid amidecarbonyl grouppentose phosphatecarboxylic acid derivativen-acyl-alpha-hexosaminepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidolactamazolen-substituted imidazoletetrahydrofurancarboxamide groupn-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholhexose phosphatepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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