Structure Information
Structure

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

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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 - 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

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