Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:53:04 UTC |
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Update Date | 2025-03-21 18:03:41 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00045932 |
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Frequency | 97.6 |
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Structure | |
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Chemical Formula | C11H17N5O4 |
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Molecular Mass | 283.1281 |
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SMILES | NC(=O)C(Cc1c[nH]cn1)NC(=O)CCC(N)C(=O)O |
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InChI Key | KYMQPCBJZUTLDO-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 | dipeptides |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsglutamine and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amides |
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Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidglutamine or derivativesaromatic heteromonocyclic compoundfatty amidealpha-amino acid or derivativesorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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