| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:21 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181615 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9F3O4S |
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| Molecular Mass | 234.0174 |
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| SMILES | O=C(O)CCCCS(=O)(=O)C(F)(F)F |
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| InChI Key | SHCPHVRISDMFAD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | halogenated fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesstraight chain fatty acidssulfonestrihalomethanes |
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| Substituents | halogenated fatty acidhalomethanealiphatic acyclic compoundcarbonyl groupstraight chain fatty acidtrihalomethanecarboxylic acidalkyl fluorideorganofluorideorganosulfur compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundalkyl halidehydrocarbon derivativeorganooxygen compoundsulfone |
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