| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:46 UTC |
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| Update Date | 2025-03-25 00:48:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168763 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13F2NO5 |
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| Molecular Mass | 253.0762 |
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| SMILES | CC(C)CC(NC(=O)C(F)(F)C(=O)O)C(=O)O |
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| InChI Key | YOAIIBBBNUUXKB-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 acidsalpha-halocarboxylic acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshalogenated fatty acidshydrocarbon derivativesmethyl-branched fatty acidsn-acyl-alpha amino acidsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | alpha-halocarboxylic acid or derivativesfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha-halocarboxylic 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 acidsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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