DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:03 UTC
Update Date	2025-03-25 00:49:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02174023
Frequency	0.5
Structure
Chemical Formula	C₂₆H₄₆NO₄+
Molecular Mass	436.3421
SMILES	CCCCCC=CCC=CCCCCCCC=CC(=O)OC(CCC(=O)O)[N+](C)(C)C
InChI Key	MQCHHKOGKXFTBB-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acid esters
Direct Parent	fatty acid esters
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids dicarboxylic acids and derivatives enoate esters hydrocarbon derivatives organic cations organic oxides organic salts organonitrogen compounds organopnictogen compounds short-chain hydroxy acids and derivatives tetraalkylammonium salts
Substituents	enoate ester aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid tetraalkylammonium salt carboxylic acid derivative alpha,beta-unsaturated carboxylic ester fatty acid ester organic oxide organic oxygen compound carboxylic acid ester organonitrogen compound dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative organic nitrogen compound organic cation organic salt organooxygen compound

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