| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:51:48 UTC |
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| Update Date | 2025-03-25 01:36:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02459514 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H40N9O22P3 |
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| Molecular Mass | 971.1501 |
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| SMILES | NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(OP(=O)(O)OCC4OC(n5cnc6c(N)ncnc65)C(O)C4O)C3O)C(O)C2O)C=CC1 |
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| InChI Key | FREPQAXBLDXQHG-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 | pyrimidine nucleotides |
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| Subclass | pyrimidine ribonucleotides |
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| Direct Parent | pyrimidine ribonucleoside 2',5'-bisphosphates |
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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 derivativesimidazolesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesn-substituted nicotinamidesnicotinamide nucleotidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminesprimary carboxylic acid amidespurine ribonucleoside monophosphatespurines and purine derivativespyrimidine nucleosidespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactamamino acid or derivativespurine ribonucleoside monophosphatenicotinamidemonosaccharidepentose-5-phosphatenicotinamide-nucleotideimidazopyrimidinepyrimidine ribonucleoside 2',5'-bisphosphatesaccharideorganonitrogen compounddihydropyridineorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundorganic pyrophosphatemonoalkyl phosphatehydrocarbon derivativeprimary amineamineenamineprimary carboxylic acid amidecarbonyl grouppentose phosphatepyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganopnictogen compoundpyrimidine nucleosideimidolactamazolen-substituted imidazolecarbonic acid derivativetetrahydrofurancarboxamide groupn-substituted nicotinamideoxacycledialkyl phosphateorganic oxygen compoundphosphoric acid estersecondary alcoholpurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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