Structure Information
Structure

Compound Identification

SMILES

C[C@H](OC(=O)CCCC[C@@H]1CCSS1)C1=NC2=C(C(C)=C(C)S2)C(=O)N1

InChIKey

InChIKey=ZNZFRWLTGYITHJ-WCQYABFASA-N

Formula

C18H24N2O3S3

Mass

412.58

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Dithiolanes

Subclass

Lipoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Lipoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Lipoic_acid_derivative - Thienopyrimidine - Fatty acid ester - Pyrimidone - Pyrimidine - Fatty acyl - Heteroaromatic compound - 1,2-dithiolane - Thiophene - Carboxylic acid ester - Lactam - Organic disulfide - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as lipoic acids and derivatives. These are compounds containing a lipoic acid moiety (or a derivative thereof), which consists of a pentanoic acid (or derivative) attached to the C3 carbon atom of a 1,2-dithiolane ring.

External Descriptors

Not available

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