DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:10 UTC
Update Date	2025-03-21 18:30:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00081813
Frequency	35.4
Structure
Chemical Formula	C₁₃H₂₇N₂O₃+
Molecular Mass	259.2016
SMILES	C[N+](C)(C)CCNC(=O)CCCCCCC(=O)O
InChI Key	RLNNORAEYZRJMZ-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 hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides straight chain fatty acids tetraalkylammonium salts
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid fatty amide carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid organic cation organic salt straight chain fatty acid tetraalkylammonium salt quaternary ammonium salt carboxamide group amino fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

Showing information for DMID00081813