DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:51 UTC
Update Date	2025-03-25 00:50:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180473
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₀NO₄+
Molecular Mass	230.1387
SMILES	C[N+](C)(C)CC(=O)CC(O)=CCCC(=O)O
InChI Key	WDSJWLWZYAUNIY-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	alpha-amino ketones amines amino fatty acids beta-hydroxy ketones carboxylic acids fatty acyls hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid carboxylic acid derivative medium-chain hydroxy acid ketone organic oxide alpha-aminoketone organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid organic cation organic salt tetraalkylammonium salt quaternary ammonium salt amino fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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