| 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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