Structure Information
Structure

Compound Identification

SMILES

NC1=NC(SCC([O-])=O)=C(C#N)C2(CCCC2)C1C#N

InChIKey

InChIKey=BBLGQOUZJKSSIR-UHFFFAOYSA-M

Formula

C13H13N4O2S

Mass

289.33

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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

Heterocyclic fatty acids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Heterocyclic fatty acid - Imidolactam - Carboxylic acid salt - Ketene acetal or derivatives - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Amidine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carboximidamide - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Cyanide - Hydrocarbon derivative - Organic anion - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as heterocyclic fatty acids. These are fatty acids containing a heterocyclic attached to the acyl chain.

External Descriptors

Not available

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