DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:39 UTC
Update Date	2025-03-25 00:58:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02232486
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₂NO₂+
Molecular Mass	200.1645
SMILES	CCCC(=CC[N+](C)(C)C)CC(=O)O
InChI Key	HHKCLAUIRHGZQF-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 branched fatty acids carbonyl compounds carboxylic acids fatty acyls hydrocarbon derivatives monocarboxylic acids and 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 branched fatty acid organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative medium-chain fatty acid organic nitrogen compound organic cation organic salt amine organooxygen compound

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