| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:28 UTC |
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| Update Date | 2025-03-21 18:02:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039617 |
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| Frequency | 87.7 |
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| Structure | |
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| Chemical Formula | C16H17N5O4 |
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| Molecular Mass | 343.1281 |
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| SMILES | Nc1ncnc2c1nc(-c1ccccc1)n2C1OC(CO)C(O)C1O |
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| InChI Key | VPKLCUYVISQZJY-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 nucleosides |
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| Subclass | purine nucleosides |
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| Direct Parent | purine nucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganopnictogen compoundsoxacyclic compoundsphenylimidazolesprimary alcoholsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietymonosaccharideimidazopyrimidinepyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundoxacycleorganic oxygen compound2-phenylimidazolesecondary alcoholhydrocarbon derivativebenzenoidprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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