| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:28 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152204 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H6F5NO4S2 |
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| Molecular Mass | 302.9658 |
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| SMILES | NC(CSS(=O)(=O)C(F)(F)C(F)(F)F)C(=O)O |
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| InChI Key | WXXGRTPBWGYIFK-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundssulfonyls |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundalkyl fluorideorganofluorideorganosulfur compoundorganohalogen compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundcysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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