| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:39 UTC |
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| Update Date | 2025-03-21 17:57:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010013 |
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| Frequency | 484.0 |
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| Structure | |
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| Chemical Formula | C13H22N2O6 |
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| Molecular Mass | 302.1478 |
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| SMILES | CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)O |
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| InChI Key | KGKGPOCUKXLCNE-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 acidsbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamic acid and derivativeshydrocarbon derivativesleucine and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidglutamic acid or derivativescarboxamide groupbranched fatty acidn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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