Compound Identification
SMILES
CCCCC\C=C\CC(=O)C(O)CCCCCCCC(O)=O
InChIKey
InChIKey=KUSHOISAFGTTRU-JXMROGBWSA-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
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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 Keto fatty acids Hydroxy fatty acids Unsaturated fatty acids Monosaccharides Acyloins Alpha-hydroxy ketones Secondary alcohols 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 - Acyloin - Fatty acid - Unsaturated fatty acid - Monosaccharide - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - 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 (LMFA02000170) : Other Octadecanoids