Compound Identification
SMILES
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](Cl)CO
InChIKey
InChIKey=SRSUTXLNFKKIPX-KKFOGOCZSA-N
Formula
C21H37ClO3
Mass
372.97
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
Phenyldithiazolethiones Chloropropanol esters Chlorohydrins Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Octadecanoid - Phenyldithiazolethione - Chloropropanol ester - Fatty acid ester - Carboxylic acid ester - Chlorohydrin - Halohydrin - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organochloride - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Alkyl halide - Alkyl chloride - Organohalogen 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
Not available