Compound Identification
SMILES
C[C@H](CC[C@@H](C)C(=O)OC[C@@H](O)CCl)C(N)=O
InChIKey
InChIKey=QULDCAXXWJFCJR-HLTSFMKQSA-N
Formula
C11H20ClNO4
Mass
265.73
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
Fatty amides Secondary alcohols Primary carboxylic acid amides Chlorohydrins Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
3-mcpd monoester - Fatty amide - Carboxamide group - Carboxylic acid ester - Chlorohydrin - Halohydrin - Primary carboxylic acid amide - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Alkyl chloride - Organooxygen compound - Carbonyl group - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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