Compound Identification
SMILES
CCCCCC(=O)C\C=C\C(O)CCCCCCCC(O)=O
InChIKey
InChIKey=HOWCTVFHRUJMDQ-GXDHUFHOSA-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 Hydroxy fatty acids Unsaturated fatty acids 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 - Unsaturated fatty acid - Fatty acid - 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 (LMFA02000172) : Other Octadecanoids