DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:56 UTC
Update Date	2025-03-25 00:56:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217364
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₆NO₃+
Molecular Mass	244.1907
SMILES	CCCCC=C(CC(=O)O)OCC[N+](C)(C)C
InChI Key	UHAAFBUNUFCNGB-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	amines amino fatty acids carbonyl compounds carboxylic acids fatty acyls hydrocarbon derivatives medium-chain fatty acids monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid tetraalkylammonium salt quaternary ammonium salt carboxylic acid derivative amino fatty acid medium-chain hydroxy acid organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative medium-chain fatty acid organic nitrogen compound organic cation organic salt amine organooxygen compound

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