DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:12 UTC
Update Date	2025-03-21 18:06:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00062638
Frequency	49.5
Structure
Chemical Formula	C₄₀H₆₄NO₂+
Molecular Mass	590.4932
SMILES	CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC[N+](C)(C)C
InChI Key	SWAQNCBPHIPLOX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic nitrogen compounds
Class	organonitrogen compounds
Subclass	quaternary ammonium salts
Direct Parent	acyl cholines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amines carbonyl compounds carboxylic acid esters fatty acid esters hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group tetraalkylammonium salt carboxylic acid derivative fatty acid ester organic oxide monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester acyl choline organopnictogen compound hydrocarbon derivative organic cation organic salt amine organooxygen compound

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