| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:45 UTC |
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| Update Date | 2025-03-21 18:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033122 |
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| Frequency | 109.8 |
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| Structure | |
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| Chemical Formula | C10H19N5O17P4 |
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| Molecular Mass | 604.9726 |
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| SMILES | Nc1ncnc2c1ncn2C1OC(CO[PH](=O)(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O |
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| InChI Key | KGCAPDKGLQTDAB-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 monophosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic phosphoric acids and derivativesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundmonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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