| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:26 UTC |
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| Update Date | 2025-03-21 18:34:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101590 |
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| Frequency | 26.9 |
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| Structure | |
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| Chemical Formula | C13H17N5O7 |
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| Molecular Mass | 355.1128 |
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| SMILES | CN(CC(=O)O)c1nc(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1 |
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| InChI Key | LAMUXTLEGQLARL-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 | alpha amino acidsaminopyrimidines and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidmonosaccharidepyrimidonealpha-amino acid or derivativesimidazopyrimidinecarboxylic acid derivativepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compounddialkylarylamineprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundaminopyrimidineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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