| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:42 UTC |
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| Update Date | 2025-03-25 00:50:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182411 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H5F3N2O4S |
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| Molecular Mass | 245.9922 |
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| SMILES | O=NSCC(NC(=O)C(F)(F)F)C(=O)O |
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| InChI Key | PCSIFYQAMJMRKG-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 | alkyl fluoridesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesnitrosothiolsorganic oxidesorganofluoridesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundorganohalogen compoundnitrosothiolorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideorganic s-nitroso compoundorganic nitroso compoundsulfenyl compoundn-acyl-alpha-amino acidalkyl fluorideorganofluoridecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
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