Compound Identification
SMILES
CCC=CCC(O)C(O)CC=CCCCCCCCC([O-])=O
InChIKey
InChIKey=RGRKFKRAFZJQMS-UHFFFAOYSA-M
Formula
C18H31O4
Mass
311.443
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
- Subclass Lineolic acids and derivatives
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Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
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
Long-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols 1,2-diols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
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