DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:08 UTC
Update Date	2025-03-25 00:48:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169594
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₂NO₄+
Molecular Mass	220.1543
SMILES	CC[N+](C)(C)CC(O)CC(O)CC(=O)O
InChI Key	KDWUJCXWSDOZQV-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	1,2-aminoalcohols amines amino fatty acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds secondary alcohols tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty acid carboxylic acid derivative medium-chain hydroxy acid beta-hydroxy acid organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid organic cation organic salt alcohol tetraalkylammonium salt 1,2-aminoalcohol quaternary ammonium salt amino fatty acid monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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