| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:03 UTC |
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| Update Date | 2025-03-25 00:45:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151246 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H25N9O13P2 |
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| Molecular Mass | 661.1047 |
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| SMILES | Cn1cnc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C3O)C(O)C2O)c1=O |
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| InChI Key | PWDJJJZXYXKDCP-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsoxetanespentose phosphatesprimary aminespurine ribonucleoside monophosphatespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidinepyrimidinesaccharideorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphateoxetanesecondary alcoholhypoxanthinehydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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