Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:20:16 UTC |
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Update Date | 2025-03-21 18:36:31 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00111010 |
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Frequency | 24.0 |
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Structure | |
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Chemical Formula | C11H19N3O6 |
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Molecular Mass | 289.1274 |
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SMILES | CCC(C)C(NC(=O)C(CC(=O)O)NC(N)=O)C(=O)O |
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InChI Key | CGYLYGWTMJJNJH-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 | aliphatic acyclic compounds |
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Alternative Parents | alpha amino acid amidesalpha amino acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesisoleucine and derivativesmethyl-branched fatty acidsn-acyl aminesn-acyl-alpha amino acidsn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxiden-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativescarbonic acid derivativemethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidn-carbamoyl-alpha-amino acidcarboxamide groupbranched fatty acidn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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