Compound Identification
SMILES
C[C@H](CC[C@@H](C)C(=O)OC[C@@H](O)CCl)C(O)=O
InChIKey
InChIKey=YVYVFSGQJRTPLH-HLTSFMKQSA-N
Formula
C11H19ClO5
Mass
266.72
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
Medium-chain fatty acids Methyl-branched fatty acids Hydroxy fatty acids Halogenated fatty acids Dicarboxylic acids and derivatives Secondary alcohols Chlorohydrins Carboxylic acid esters Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
3-mcpd monoester - Medium-chain fatty acid - Branched fatty acid - Halogenated fatty acid - Methyl-branched fatty acid - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Chlorohydrin - Halohydrin - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Alkyl halide - Organohalogen compound - Organochloride - Organooxygen compound - 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