Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCCC[C@@H](Br)[C@@H]1OC(OC(C)(C)C)=[N+]2[C@H]1CS[C@@H]2C1=CC=CC=C1

InChIKey

InChIKey=GSRMHWKVIGBJBA-LCLWPZTBSA-N

Formula

C22H31BrNO4S

Mass

485.46

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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

Not available

Direct Parent

Fatty acid methyl esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Fatty acid methyl ester - Monocyclic benzene moiety - Benzenoid - Oxazoline - Thiazolidine - Methyl ester - Carboxylic acid ester - Dialkylthioether - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Alkyl halide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Alkyl bromide - Hydrocarbon derivative - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.

External Descriptors

Not available

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