DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:41 UTC
Update Date	2025-03-21 18:39:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00123916
Frequency	20.8
Structure
Chemical Formula	C₁₆H₃₂NO₄+
Molecular Mass	302.2326
SMILES	C[N+](C)(C)COC(=O)CCCCCCCCCCC(=O)O
InChI Key	KYERJPAIBVUIOD-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	amino fatty acids carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters hydrocarbon derivatives medium-chain fatty acids organic cations organic oxides organic salts organonitrogen compounds organopnictogen compounds tetraalkylammonium salts
Substituents	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 organic nitrogen compound organic cation organic salt organooxygen compound

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