| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:25 UTC |
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| Update Date | 2025-03-21 18:36:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111353 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C13H21N3O8 |
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| Molecular Mass | 347.1329 |
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| SMILES | CC(NC(=O)CCC(NC(=O)CCC(N)C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | ZIQDDBGXXQXESG-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 | oligopeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalpha amino acidscarbonyl compoundscarboxylic acidsglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundalanine or derivativeshydrocarbon derivativeprimary aliphatic aminealpha-oligopeptideorganic nitrogen compoundorganooxygen compound |
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