DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:38 UTC
Update Date	2025-03-21 17:58:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00012329
Frequency	369.3
Structure
Chemical Formula	C₉H₁₈NO₄+
Molecular Mass	204.123
SMILES	C[N+](C)(C)C(CCC(=O)O)CC(=O)O
InChI Key	ZFQMFVQYZHJIOI-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 organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid tetraalkylammonium salt quaternary ammonium salt carboxylic acid derivative amino 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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