DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:30 UTC
Update Date	2025-03-25 00:53:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202394
Frequency	0.5
Structure
Chemical Formula	C₂₂H₄₄NO₅+
Molecular Mass	402.3214
SMILES	C[N+](C)(C)C(CCCCCCO)OC(=O)CCCCCCCCCCC(=O)O
InChI Key	RWQZMABZVNLQFE-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	medium-chain hydroxy acids and derivatives
Direct Parent	medium-chain hydroxy acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alcohols and polyols amino fatty acids carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids organic cations organic oxides organic salts organonitrogen compounds organopnictogen compounds tetraalkylammonium salts
Substituents	alcohol fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid tetraalkylammonium salt carboxylic acid derivative amino fatty acid medium-chain hydroxy acid fatty acid ester organic oxide organic oxygen compound carboxylic acid ester organonitrogen compound dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid organic nitrogen compound organic cation organic salt organooxygen compound

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