| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:15 UTC |
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| Update Date | 2025-03-25 00:51:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190472 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H30N6O16P2 |
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| Molecular Mass | 684.1194 |
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| SMILES | CC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C(O)C1O |
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| InChI Key | HJSYMUUJMHIAJJ-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 | alkanolaminesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsketonesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativespyrrolinessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouppentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepyrimidineketonesaccharideorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundalkanolamineazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacycleorganic oxygen compoundpyrrolinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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