Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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