DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:14 UTC
Update Date	2025-03-25 01:00:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240633
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₂F₁₅NO₃
Molecular Mass	527.0578
SMILES	CC(C)(C)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChI Key	QEBAOVHOMVDWNR-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkyl fluorides alpha amino acids carbonyl compounds carboxylic acids halogenated fatty acids hydrocarbon derivatives methyl-branched fatty acids monocarboxylic acids and derivatives n-acyl amines organic oxides organofluorides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid organohalogen compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alkyl halide halogenated fatty acid methyl-branched fatty acid n-acyl-alpha-amino acid alkyl fluoride organofluoride valine or derivatives carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

Showing information for DMID02240633