Structure Information
Structure

Compound Identification

SMILES

[Na+].CN(CCCCCC([O-])=O)C1=CC=CC=C1

InChIKey

InChIKey=DUTCETUMYLIPOQ-UHFFFAOYSA-M

Formula

C13H18NNaO2

Mass

243.282

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acids and conjugates

Intermediate Tree Nodes

Not available

Direct Parent

Medium-chain fatty acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Tertiary aliphatic/aromatic amine - Medium-chain fatty acid - Dialkylarylamine - Aniline or substituted anilines - Amino fatty acid - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Carboxylic acid salt - Tertiary amine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Organic zwitterion - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic sodium salt - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

External Descriptors

Not available

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