Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:15:30 UTC |
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Update Date | 2025-03-21 18:34:07 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00099258 |
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Frequency | 27.7 |
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Structure | |
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Chemical Formula | C7H12F3NO2S2 |
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Molecular Mass | 263.0262 |
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SMILES | NC(CCSSCCC(F)(F)F)C(=O)O |
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InChI Key | JULXYTIEZJYJOG-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 fluoridescarbonyl compoundscarboxylic acidsdialkyldisulfideshalogenated fatty acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidehalogenated fatty acidsulfenyl compoundalkyl fluorideorganofluoridedialkyldisulfidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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