Structure Information
Structure

Compound Identification

SMILES

C[C@@H](OC1=C(C)[C@@H](Cl)CC=C1)C(=O)CC(O)=O

InChIKey

InChIKey=YRKYKIATXBXPFL-BDAKNGLRSA-N

Formula

C12H15ClO4

Mass

258.7

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acids and conjugates

Intermediate Tree Nodes

Not available

Direct Parent

Halogenated fatty acids

Alternative Parents

Molecular Framework

Aliphatic homomonocyclic compounds

Substituents

Beta-keto acid - Branched fatty acid - Halogenated fatty acid - Short-chain keto acid - Methyl-branched fatty acid - Beta-hydroxy ketone - 1,3-dicarbonyl compound - Keto acid - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl chloride - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).

External Descriptors

Not available

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