| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:56 UTC |
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| Update Date | 2025-03-25 00:57:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226477 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7F2NO6S |
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| Molecular Mass | 246.9962 |
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| SMILES | CC(NC(=O)C(F)(F)S(=O)(=O)O)C(=O)O |
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| InChI Key | HXOMTKXPBJPEQK-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 | alanine and derivativesalkyl fluoridesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssecondary carboxylic acid amidessulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidorganosulfonic acidorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl haliden-acyl-alpha-amino acidalkyl fluorideorganofluoridecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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