DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:47 UTC
Update Date	2025-03-25 00:53:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02198447
Frequency	0.5
Structure
Chemical Formula	C₂₉H₄₂NO₃+
Molecular Mass	452.3159
SMILES	C[N+](C)(C)CCOC(=O)CCCC=CCC=CCC=CCC=CCC=Cc1ccc(O)cc1
InChI Key	DYUAYINFZYNKHT-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic nitrogen compounds
Class	organonitrogen compounds
Subclass	quaternary ammonium salts
Direct Parent	acyl cholines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids amines benzene and substituted derivatives 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 monocyclic benzene moiety carbonyl group 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide organopnictogen compound organic cation organic salt tetraalkylammonium salt aromatic homomonocyclic compound fatty acid ester monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester acyl choline phenol hydrocarbon derivative benzenoid amine organooxygen compound

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