DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:08 UTC
Update Date	2025-03-21 18:38:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122695
Frequency	21.1
Structure
Chemical Formula	C₂₈H₄₉N₂O₄+
Molecular Mass	477.3687
SMILES	C[N+](C)(C)CCOC(=O)CCCC=CCC=CCC=CCC=CCCCCCC(=O)NCCO
InChI Key	FCVNJMQZETZTBT-UHFFFAOYSA-O
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	alcohols and polyols alkanolamines carbonyl compounds carboxylic acid esters fatty acid esters hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines n-acylethanolamines organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group fatty amide carboxylic acid derivative organic oxide organopnictogen compound organic cation organic salt alkanolamine alcohol tetraalkylammonium salt carboxamide group n-acylethanolamine n-acyl-amine secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester acyl choline hydrocarbon derivative amine organooxygen compound

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