DeepMet

Record Information
HMDB Status	quantified
Creation Date	2024-02-21 00:10:10 UTC
Update Date	2025-03-21 18:31:34 UTC
HMDB ID	HMDB0061742
Metabolite Identification
DeepMet ID	DMID00086516
Name	2-(N-Methyl-perfluorooctane sulfanamido) acetic acid
Frequency	33.0
Structure
Chemical Formula	C₁₁H₆F₁₇NO₄S
Molecular Mass	570.9746
SMILES	CN(CC(=O)O)S(=O)(=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)F
InChI Key	QNDHIRFIMVNHBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organohalogen compounds
Class	alkyl halides
Subclass	alkyl fluorides
Direct Parent	perfluorooctane sulfonic acid and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkyl fluorides alpha amino acids aminosulfonyl compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organic sulfonamides organofluorides organonitrogen compounds organopnictogen compounds organosulfonamides
Substituents	aliphatic acyclic compound organosulfonic acid or derivatives carbonyl group carboxylic acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organosulfonic acid amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound perfluorooctane sulfonic acid or derivatives aminosulfonyl compound organofluoride 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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