| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:37 UTC |
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| Update Date | 2025-03-25 01:01:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250840 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20N6O12 |
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| Molecular Mass | 512.1139 |
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| SMILES | O=C(O)CC(NC(=O)C1OC(n2cnc3c(NC(CC(=O)O)C(=O)O)ncnc32)C(O)C1O)C(=O)O |
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| InChI Key | WKDJTTXSSVJXOA-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 | 1,2-diolsalpha amino acidsamino acidsaspartic acid and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amidestetracarboxylic acids and derivativestetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidmonosaccharidealpha-amino acid or derivativesimidazopyrimidinecarboxylic acid derivativepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolen-acyl-alpha amino acid or derivativesalcoholazacyclen-acyl-alpha-amino acidtetrahydrofuranpurine nucleosideheteroaromatic compoundtetracarboxylic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic amineoxacyclesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativessecondary alcoholhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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