| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:46 UTC |
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| Update Date | 2025-03-21 18:33:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097496 |
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| Frequency | 28.3 |
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| Structure | |
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| Chemical Formula | C5H7F2NO6S |
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| Molecular Mass | 246.9962 |
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| SMILES | CN(CC(=O)O)S(=O)(=O)C(F)(F)C(=O)O |
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| InChI Key | GUOJHTMSCFLWQI-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 derivativeshydrocarbon derivativesorganic oxidesorganic sulfonamidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | alpha-halocarboxylic acid or derivativesaliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidalpha-halocarboxylic acidorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkyl halideaminosulfonyl compoundalkyl fluorideorganofluoridesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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