| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:51 UTC |
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| Update Date | 2025-03-25 00:58:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230666 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9F16NO6S |
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| Molecular Mass | 598.9895 |
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| SMILES | CN(CC(=O)O)[SH](=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O |
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| InChI Key | LFYSUKGVJUQAEF-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 fluoridesalkylthiolsalpha-halocarboxylic acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshalogenated fatty acidshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compounds |
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| Substituents | alpha-halocarboxylic acid or derivativesfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha-halocarboxylic acidorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidemedium-chain fatty acidhalogenated fatty acidalkyl fluorideorganofluorideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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