Structure Information
Structure

Compound Identification

SMILES

CCCCC\C=C/CC(=O)C(O)CCCCCCCC([O-])=O

InChIKey

InChIKey=KUSHOISAFGTTRU-YFHOEESVSA-M

Formula

C18H31O4

Mass

311.443

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Lineolic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Lineolic acids and derivatives

Alternative Parents

Molecular Framework

Aliphatic acyclic compounds

Substituents

Octadecanoid - Long-chain fatty acid - Hydroxy fatty acid - Keto fatty acid - Acyloin - Fatty acid - Unsaturated fatty acid - Monosaccharide - Alpha-hydroxy ketone - Carboxylic acid salt - Ketone - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organic anion - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.

External Descriptors

Not available

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