DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:12 UTC
Update Date	2025-03-21 18:39:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00125103
Frequency	20.5
Structure
Chemical Formula	C₁₁H₂₂NO₂+
Molecular Mass	200.1645
SMILES	C[N+]1(C)CCCC1CCCCC(=O)O
InChI Key	PGAIHDSBRVEPPG-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 heteromonocyclic compounds
Alternative Parents	amines amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	carbonyl group carboxylic acid heterocyclic fatty acid carboxylic acid derivative organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound medium-chain fatty acid organic cation organic salt pyrrolidine organoheterocyclic compound tetraalkylammonium salt azacycle n-alkylpyrrolidine quaternary ammonium salt amino fatty acid monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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