| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:43 UTC |
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| Update Date | 2025-03-25 00:53:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198270 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13N5O5 |
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| Molecular Mass | 319.0917 |
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| SMILES | Nc1nc2nc3n(c2c(=O)[nH]1)CC(CC(=O)O)=C3CCC(=O)O |
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| InChI Key | MNFLOJKHIVFNSA-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 compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-substituted imidazolesorganic oxidesorganopnictogen compoundsprimary aminespurines and purine derivativespyrimidones |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidpyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolen-substituted imidazoleazacycleheteroaromatic compoundorganic oxygen compounddicarboxylic acid or derivativeshypoxanthinehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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