Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:17:56 UTC |
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Update Date | 2025-03-21 18:35:22 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105298 |
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Frequency | 25.7 |
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Structure | |
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Chemical Formula | C16H17N6O9P |
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Molecular Mass | 468.0795 |
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SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)Oc2ccc([N+](=O)[O-])cc2)C(O)C1O |
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InChI Key | MRQONQTZQWUFSC-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 imidazolesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesphenoxy compoundsprimary aminespropargyl-type 1,3-dipolar organic compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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Substituents | monocyclic benzene moietypentose phosphatepurine ribonucleoside monophosphateallyl-type 1,3-dipolar organic compoundmonosaccharidepentose-5-phosphateimidazopyrimidineorganic nitro compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundsaccharideorganic oxidearomatic heteropolycyclic compoundimidazolec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolenitrobenzenenitroaromatic compoundalcoholazacycletetrahydrofuranheteroaromatic compoundorganic 1,3-dipolar compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativebenzenoidpurineprimary amineorganic nitrogen compoundphenoxy compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compoundorganic hyponitrite |
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