| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:13 UTC |
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| Update Date | 2025-03-25 00:52:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194815 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H11F16NO7S |
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| Molecular Mass | 641.0001 |
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| SMILES | CCN(CC(=O)O)S(=O)(=O)C(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 | SCTNLZQGNNWCMP-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 fluoridesalpha-halocarboxylic acidsaminosulfonyl compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfluorohydrinshalogenated fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganic sulfonamidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | alpha-halocarboxylic acid or derivativesfatty acylaliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidfatty acidalpha-halocarboxylic acidfluorohydrinorganosulfur compoundorganohalogen compoundmedium-chain hydroxy acidorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halidemedium-chain fatty acidhydroxy fatty acidhalogenated fatty acidaminosulfonyl compoundhalohydrinalkyl fluorideorganofluoridesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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