Compound Identification
SMILES
CCCCCCC(=O)\C=C\C(O)CCCCCCCC(O)=O
InChIKey
InChIKey=YTQIAEGEKPKZHB-CCEZHUSRSA-N
Formula
C18H32O4
Mass
312.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
- Subclass Lineolic acids and derivatives
-
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 Keto fatty acids Hydroxy fatty acids Unsaturated fatty acids Enones Acryloyl compounds Secondary alcohols Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Octadecanoid - Long-chain fatty acid - Hydroxy fatty acid - Keto fatty acid - Fatty acid - Unsaturated fatty acid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Secondary alcohol - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - 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
LIPIDMAPS (LMFA02000171) : Other Octadecanoids