| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:49 UTC |
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| Update Date | 2025-03-21 17:57:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010379 |
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| Frequency | 455.0 |
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| Structure | |
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| Chemical Formula | C19H27N9O14P2 |
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| Molecular Mass | 667.1153 |
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| SMILES | NC(=O)c1ncn(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1N |
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| InChI Key | XWAKNXOMXXQFFT-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 diphosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-ribosyl-imidazolecarboxamides2-heteroaryl carboxamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminesprimary carboxylic acid amidespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupimidazole ribonucleosidepentose phosphateamino acid or derivativespurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinecarboxylic acid derivative2-heteroaryl carboxamidepyrimidinesaccharideorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl groupimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide grouporganic pyrophosphate1-ribosyl-imidazolecarboxamideoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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