| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:41 UTC |
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| Update Date | 2025-03-25 00:47:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161709 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H20F3N3O3 |
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| Molecular Mass | 299.1457 |
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| SMILES | NCCCCC(NC(=O)C(N)CCC(F)(F)F)C(=O)O |
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| InChI Key | QHESPGGAVSGTHN-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 | alkyl fluoridesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidshalogenated fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidemedium-chain fatty acidn-acyl-alpha amino acid or derivativeshalogenated fatty acidalpha-amino acid amiden-acyl-alpha-amino acidalkyl fluorideorganofluoridecarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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