DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:36 UTC
Update Date	2025-03-25 00:49:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02172974
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₆NO₂+
Molecular Mass	346.2741
SMILES	CCC=CCC=CCC=CCC=CCC=CCC[N+](C)(C)CC(=O)O
InChI Key	WRRLSVVFPCLTKM-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	alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amines carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid tetraalkylammonium salt quaternary ammonium salt organic oxide monocarboxylic acid or derivatives organic oxygen compound alpha-amino acid organonitrogen compound organopnictogen compound hydrocarbon derivative organic nitrogen compound organic cation organic salt amine organooxygen compound

Showing information for DMID02172974