Compound Identification
SMILES
OC(=O)CCCCC1(CCSS1)C(O)=O
InChIKey
InChIKey=GTHRMOPDWMCIJK-UHFFFAOYSA-N
Formula
C9H14O4S2
Mass
250.33
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
Medium-chain fatty acids 1,2-dithiolane-3-carboxylic acids Thia fatty acids Heterocyclic fatty acids Dicarboxylic acids and derivatives 1,2-dithiolanes Organic disulfides Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Lipoic_acid_derivative - Medium-chain fatty acid - 1,2-dithiolane-3-carboxylic acid - 1,2-dithiolanecarboxylic acid - Dithiolanecarboxylic acid - Heterocyclic fatty acid - Thia fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - 1,2-dithiolane - Organic disulfide - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aliphatic heteromonocyclic 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