| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:39 UTC |
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| Update Date | 2025-03-21 18:01:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032886 |
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| Frequency | 110.8 |
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| Structure | |
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| Chemical Formula | C12H21N6O13P3 |
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| Molecular Mass | 550.0379 |
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| SMILES | NCCOP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(OP(=O)(O)O)C1O |
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| InChI Key | ZVPRVTHCDJREHL-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 derivativesimidazolesimidolactamsmonoalkyl phosphatesmonoalkylaminesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesphosphoethanolaminespurine ribonucleoside 2',5'-bisphosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | pentose phosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepyrimidinephosphoethanolaminesaccharideorganic oxidepurine ribonucleoside diphosphatearomatic heteropolycyclic compoundimidazolepurine ribonucleoside 2',5'-bisphosphateorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary aliphatic amineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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