DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:19:28 UTC
Update Date	2025-03-21 18:36:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00109065
Frequency	24.5
Structure
Chemical Formula	C₉H₁₈NO₅+
Molecular Mass	220.1179
SMILES	C[N+](C)(C)C(O)(CCC(=O)O)CC(=O)O
InChI Key	LILAVXKDLRFCAF-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 acids dicarboxylic acids and derivatives hemiaminals hydrocarbon derivatives hydroxy fatty acids 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 fatty acid carboxylic acid derivative amino fatty acid medium-chain hydroxy acid hemiaminal organic oxide organic oxygen compound 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 alkanolamine

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