DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:26 UTC
Update Date	2025-03-25 00:45:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149795
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₄NO₄+
Molecular Mass	246.17
SMILES	CC(CCC(=O)O)(CCC(=O)O)C[N+](C)(C)C
InChI Key	KEUKETIQGCKCHS-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acids and conjugates
Direct Parent	medium-chain fatty acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amines amino fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives methyl-branched fatty acids organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid methyl-branched fatty acid tetraalkylammonium salt quaternary ammonium salt carboxylic acid derivative amino fatty acid branched fatty acid organic oxide organic oxygen compound organonitrogen compound dicarboxylic acid or derivatives organopnictogen compound hydrocarbon derivative medium-chain fatty acid organic nitrogen compound organic cation organic salt amine organooxygen compound

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