| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:07 UTC |
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| Update Date | 2025-03-25 00:59:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238107 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11N5O6 |
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| Molecular Mass | 309.0709 |
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| SMILES | O=C(O)CC(NC(=O)Cn1cnc2c(=O)nc[nH]c21)C(=O)O |
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| InChI Key | IRIZKDBVXWYVNH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesn-acyl-alpha amino acidsn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspurines and purine derivativespyrimidonessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidpyrimidoneimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolen-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compound |
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