Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:48:52 UTC |
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Update Date | 2025-03-21 18:01:59 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00035803 |
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Frequency | 99.3 |
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Structure | |
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Chemical Formula | C11H18N5O13P3 |
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Molecular Mass | 521.0114 |
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SMILES | Cn1cnc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c1=N |
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InChI Key | QTWNSBVFPSAMPO-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 triphosphates |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | 1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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Substituents | pentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactampurine ribonucleoside triphosphateorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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