Structure Information
Structure

Compound Identification

SMILES

CCC1=CC(C[C@H](O)\C=C\[C@H]2CSC(=O)N2CCSCCCC(O)=O)=CC=C1

InChIKey

InChIKey=MYRBEESOULJTOW-WARJXXDVSA-N

Formula

C21H29NO4S2

Mass

423.59

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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

Thia fatty acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Hydroxy fatty acid - Thia fatty acid - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Secondary alcohol - Thiocarbamic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Dialkylthioether - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.

External Descriptors

Not available

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