| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:46 UTC |
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| Update Date | 2025-03-25 01:01:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246599 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8F5NO3 |
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| Molecular Mass | 249.0424 |
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| SMILES | CCC(NC(=O)C(F)(F)C(F)(F)F)C(=O)O |
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| InChI Key | OLBMPAQEEVQLBQ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshalogenated fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsperfluoroalkyl carboxylic acid and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidehalogenated fatty acidn-acyl-alpha-amino acidalkyl fluorideorganofluorideperfluoroalkyl carboxylic acid or derivativescarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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