DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:47 UTC
Update Date	2025-03-25 00:56:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02221666
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₃F₁₁N₂O₇S
Molecular Mass	598.0268
SMILES	O=C(O)CCC(NC(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)C(=O)O
InChI Key	LEKGKUVSFPSHQG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	glutamic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl fluorides alpha amino acids aminosulfonyl compounds benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organic sulfonamides organofluorides organonitrogen compounds organopnictogen compounds organosulfonamides secondary carboxylic acid amides sulfanilides
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid benzoyl organosulfur compound organohalogen compound benzamide organosulfonic acid amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alkyl halide n-acyl-alpha amino acid or derivatives aminosulfonyl compound n-acyl-alpha-amino acid alkyl fluoride organofluoride hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives carboxamide group aromatic homomonocyclic compound sulfanilide secondary carboxylic acid amide sulfonyl organic oxygen compound organic sulfonic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organic sulfonic acid amide organooxygen compound

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