DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:50 UTC
Update Date	2025-03-25 00:48:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168912
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₇N₂O₂+
Molecular Mass	243.2067
SMILES	CC(C)CC(=O)NC(C(=O)[N+](C)(C)C)C(C)C
InChI Key	VUVDAEYZTOUYFF-UHFFFAOYSA-O
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	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives n-acyl amines organic cations organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives fatty amide carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxide organic oxygen compound organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative organic nitrogen compound organic cation organooxygen compound

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