| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:25 UTC |
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| Update Date | 2025-03-21 18:33:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096613 |
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| Frequency | 54.1 |
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| Structure | |
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| Chemical Formula | C10H14N4O4 |
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| Molecular Mass | 254.1015 |
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| SMILES | NC(CCC(=O)NC(=O)Cc1c[nH]cn1)C(=O)O |
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| InChI Key | XENWLOLILQTDOJ-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 | glutamine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboximidesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidglutamine or derivativesaromatic heteromonocyclic compoundcarboxylic acid imide, n-unsubstitutedorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideorganoheterocyclic compoundazoleazacycleheteroaromatic compoundn-acyl-aminecarboxylic acid imidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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