| Record Information | 
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| HMDB Status | Not Available | 
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| Creation Date | 2024-02-20 23:52:36 UTC | 
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| Update Date | 2025-03-21 18:03:31 UTC | 
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| HMDB ID | Not Available | 
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| Metabolite Identification | 
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| DeepMet ID | DMID00044794 | 
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| Frequency | 75.4 | 
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| Structure |  | 
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| Chemical Formula | C14H22N5O10P | 
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| Molecular Mass | 451.1104 | 
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| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OCC(O)C(O)CO)C(O)C1O | 
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| InChI Key | LEIHCOGYMGSNRV-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  | azacyclic compoundsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary alcoholsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans | 
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| Substituents  | pentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacycledialkyl phosphateorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound | 
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