| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:32 UTC |
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| Update Date | 2025-03-25 00:45:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152378 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13F3N2O4S |
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| Molecular Mass | 278.0548 |
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| SMILES | NC(CCCCNS(=O)(=O)C(F)(F)F)C(=O)O |
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| InChI Key | AFWCDFRFFXPQCL-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 fluoridesaminosulfonyl compoundscarbonyl compoundscarboxylic acidshalogenated fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidestrihalomethanes |
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| Substituents | fatty acylaliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidemedium-chain fatty acidhalogenated fatty acidhalomethanetrihalomethaneaminosulfonyl compoundalkyl fluorideorganofluoridemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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