| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:57 UTC |
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| Update Date | 2025-03-21 18:02:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040805 |
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| Frequency | 84.5 |
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| Structure | |
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| Chemical Formula | C11H16N2O8 |
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| Molecular Mass | 304.0907 |
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| SMILES | CC(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)O |
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| InChI Key | XOWJQZVPMDHJBN-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 acidsaspartic acid and derivativescarbonyl compoundscarboxylic acidsglutamic acid and derivativeshydrocarbon derivativesn-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 acidfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidglutamic acid or derivativescarboxamide groupn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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