| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:48:21 UTC |
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| Update Date | 2025-03-24 14:03:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00742632 |
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| Frequency | 2.1 |
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| Structure | |
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| Chemical Formula | C31H43N12O26P5 |
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| Molecular Mass | 1154.11 |
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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)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | MRTRESYZDZCLRT-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 | purine nucleotides |
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| Subclass | purine ribonucleotides |
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| Direct Parent | purine ribonucleoside triphosphates |
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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 nicotinamidesnicotinamide nucleotidesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminesprimary carboxylic acid amidespurine ribonucleoside 2',5'-bisphosphatespurine ribonucleoside diphosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | amino acid or derivativespurine ribonucleoside monophosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotideimidazopyrimidinesaccharidepurine ribonucleoside diphosphatepurine ribonucleoside 2',5'-bisphosphateorganonitrogen compounddihydropyridinepurine ribonucleoside triphosphateorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundorganic pyrophosphatemonoalkyl phosphatehydrocarbon derivativeprimary amineamineenamineprimary carboxylic acid amidecarbonyl grouppentose phosphatecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundimidolactamazolen-substituted imidazoletetrahydrofurancarboxamide groupn-substituted nicotinamideoxacycleorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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