| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:33:26 UTC |
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| Update Date | 2025-03-21 17:56:06 UTC |
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| HMDB ID | HMDB0011757 |
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| Metabolite Identification |
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| DeepMet ID | DMID00000113 |
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| Name | N-Acetylvaline |
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| Frequency | 23061.0 |
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| Structure | |
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| Chemical Formula | C7H13NO3 |
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| Molecular Mass | 159.0895 |
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| SMILES | CC(=O)NC(C(=O)O)C(C)C |
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| InChI Key | IHYJTAOFMMMOPX-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvaline and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidemethyl-branched fatty acidn-acyl-alpha-amino acidvaline or derivativescarboxamide groupbranched fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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