| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:54 UTC |
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| Update Date | 2025-03-25 00:58:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233066 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H23F3N2O |
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| Molecular Mass | 268.1762 |
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| SMILES | CCC(C)C(N)C(=O)NC(C(C)CC)C(F)(F)F |
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| InChI Key | WCEDLEGJVUKURL-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideisoleucine or derivativesalpha-amino acid amidealkyl fluorideorganofluoridecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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