DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:57:12 UTC
Update Date	2025-03-25 00:52:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194781
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₉F₁₃N₂O₅S
Molecular Mass	598.0807
SMILES	CCN(CC(=O)NC(CC(C)C)C(=O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key	QFCCTXIDWUNWSR-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkyl fluorides alpha amino acids aminosulfonyl compounds carbonyl compounds carboxylic acids halogenated fatty acids hydrocarbon derivatives leucine and derivatives methyl-branched fatty acids monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organic sulfonamides organofluorides organonitrogen compounds organopnictogen compounds organosulfonamides secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound organosulfonic acid or derivatives carbonyl group carboxylic acid fatty acid alpha-amino acid or derivatives organosulfur compound organohalogen compound organosulfonic acid amide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound alkyl halide n-acyl-alpha amino acid or derivatives halogenated fatty acid methyl-branched fatty acid aminosulfonyl compound n-acyl-alpha-amino acid alkyl fluoride organofluoride carboxamide group branched fatty acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative organic nitrogen compound organic sulfonic acid amide organooxygen compound

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