| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:53 UTC |
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| Update Date | 2025-03-25 00:48:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169042 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18F5NO3 |
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| Molecular Mass | 319.1207 |
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| SMILES | CC(C)CC(NC(=O)C(C)(C)C(F)(F)C(F)(F)F)C(=O)O |
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| InChI Key | VVQQPCNWNZSIQV-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 | leucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha amino acidscarbonyl compoundscarboxylic acidshalogenated fatty acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic 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 acidorganohalogen compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl haliden-acyl-alpha amino acid or derivativeshalogenated fatty acidmethyl-branched fatty acidn-acyl-alpha-amino acidalkyl fluorideorganofluoridecarboxamide groupbranched fatty acidn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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