| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:26 UTC |
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| Update Date | 2025-03-21 18:05:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056049 |
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| Frequency | 56.9 |
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| Structure | |
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| Chemical Formula | C5H6F3NO3 |
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| Molecular Mass | 185.03 |
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| SMILES | NC(CC(=O)C(F)(F)F)C(=O)O |
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| InChI Key | IBLNUZAVAFVIMH-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha-haloketonescarboxylic acidsfatty acylsgamma-keto acids and derivativeshalogenated fatty acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsshort-chain keto acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganohalogen compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-haloketonealkyl halidehalogenated fatty acidalkyl fluorideorganofluoridegamma-keto acidmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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