Compound Identification
SMILES
CCCCOC(=O)C(CC)CC(C)(CC(C)(C)C(=O)OCC(O)CCl)C(=O)OCCN
InChIKey
InChIKey=KIZANFNZOAZQQN-UHFFFAOYSA-N
Formula
C22H40ClNO7
Mass
466.01
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 3-MCPD monoesters
-
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
3-MCPD monoesters
Alternative Parents
Tricarboxylic acids and derivatives Secondary alcohols Chlorohydrins Carboxylic acid esters Amino acids and derivatives Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
3-mcpd monoester - Tricarboxylic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Chlorohydrin - Secondary alcohol - Halohydrin - Carboxylic acid derivative - Alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as 3-mcpd monoesters. These are compounds containing a 3-monochloropropane-1,2-diol skeleton that is esterified either at the C1 or C3 terminal carbon atom only.
External Descriptors
Not available