| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:37 UTC |
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| Update Date | 2025-03-21 18:40:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130906 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C11H7F18NO3S |
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| Molecular Mass | 574.9859 |
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| SMILES | CN(CC(=O)O)[SH](=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
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| InChI Key | APBWOGHQNGLUER-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridesalkylthiolscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl fluorideorganofluorideorganosulfur compoundorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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