| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:33:27 UTC |
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| Update Date | 2025-03-21 17:56:06 UTC |
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| HMDB ID | HMDB0029123 |
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| Metabolite Identification |
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| DeepMet ID | DMID00000155 |
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| Name | Valylaspartic acid |
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| Frequency | 20318.5 |
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| Structure | |
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| Chemical Formula | C9H16N2O5 |
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| Molecular Mass | 232.1059 |
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| SMILES | CC(C)C(N)C(=O)NC(CC(=O)O)C(=O)O |
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| InChI Key | OBTCMSPFOITUIJ-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 derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidvaline or derivativescarboxamide groupbranched fatty acidn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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