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-DGCLKSJQSA-N
Formula
C18H24N2O3S3
Mass
412.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dithiolanes
- Subclass Lipoic acids and derivatives
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Class
Dithiolanes
-
Superclass
Organoheterocyclic compounds
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
Thienopyrimidines Pyrimidones Fatty acid esters Thiophenes Heteroaromatic compounds 1,2-dithiolanes Organic disulfides Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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