Compound Identification
SMILES
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(Cl)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
InChIKey
InChIKey=YIBKQEBBFRFJMH-LOYOHVQTSA-N
Formula
C39H65ClO4
Mass
633.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acid esters
-
Level 5
Chloropropanol esters
- Level 6 2-MCPD diesters
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Level 5
Chloropropanol esters
-
Subclass
Fatty acid esters
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acid esters
Intermediate Tree Nodes
Chloropropanol esters
Direct Parent
2-MCPD diesters
Alternative Parents
Lineolic acids and derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
2-mcpd-diester - Octadecanoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as 2-mcpd diesters. These are compounds containing a 2-monochloropropane-1,3-diol skeleton that is esterified at the C1 and C3 terminal carbon atoms.
External Descriptors
Not available