Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:50:41 UTC |
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Update Date | 2025-03-21 18:02:46 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00040123 |
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Frequency | 86.3 |
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Structure | |
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Chemical Formula | C12H21N3O5 |
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Molecular Mass | 287.1481 |
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SMILES | CCC(C)C(NC(=O)C(CC(N)=O)NC(C)=O)C(=O)O |
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InChI Key | WTTUEWQDVBHTBK-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 | acetamidesalpha amino acid amidesalpha amino acidsasparagine and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesisoleucine and derivativesmethyl-branched fatty acidsmonocarboxylic 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 acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesisoleucine or derivativesacetamiden-acyl-alpha amino acid or derivativesmethyl-branched fatty acidalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupbranched fatty acidn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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