| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:03 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178657 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9N5O3 |
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| Molecular Mass | 223.0705 |
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| SMILES | CNc1nc(=O)c2nc(C(=O)O)n(C)c2[nH]1 |
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| InChI Key | GWKNTTNJNFICKG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | hypoxanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganooxygen compoundsorganopnictogen compoundspurines and purine derivativespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | carboxylic acidamino acid or derivativesamino acidpyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolen-substituted imidazolevinylogous amideazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhypoxanthinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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