| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:50 UTC |
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| Update Date | 2025-03-25 00:57:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226253 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11F5N2O5S |
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| Molecular Mass | 342.0309 |
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| SMILES | CC(NC(=O)CN(C)S(=O)(=O)C(F)(F)C(F)(F)F)C(=O)O |
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| InChI Key | YFOXWPTYRBWFPZ-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 | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alanine and derivativesalkyl fluoridesalpha amino acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganic sulfonamidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl haliden-acyl-alpha amino acid or derivativesaminosulfonyl compoundn-acyl-alpha-amino acidalkyl fluorideorganofluoridecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesalanine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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