| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:34 UTC |
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| Update Date | 2025-03-21 18:28:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070702 |
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| Frequency | 42.5 |
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| Structure | |
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| Chemical Formula | C18H19N5O5 |
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| Molecular Mass | 385.1386 |
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| SMILES | O=C(Cc1ccccc1)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O |
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| InChI Key | LBBCEDNTAQAYFL-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 compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-arylamidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenylacetamidesprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupmonosacchariden-arylamideimidazopyrimidinecarboxylic acid derivativepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamphenylacetamideorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidpurineorganic nitrogen compoundorganooxygen compound |
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