Structure Information
Structure

Compound Identification

SMILES

CCC=CCC(O)C(O)CC=CCCCCCCCC([O-])=O

InChIKey

InChIKey=RGRKFKRAFZJQMS-UHFFFAOYSA-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 - Fatty acid - Unsaturated fatty acid - 1,2-diol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - 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

META CYC (CPD-13092) : a long-chain fatty acid - an unsaturated fatty acid

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