Compound Identification
SMILES
CCCCCCCCCCCCCCCCOCC(COC(=O)CCCC[C@@H]1CCSS1)OC(=O)CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CC
InChIKey
InChIKey=NGVYBCPIILDCHJ-VXNQSZBQSA-N
Formula
C49H82O5S2
Mass
815.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dithiolanes
- Subclass Lipoic acids and derivatives
-
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
Alkyldiacylglycerols Glycerol ethers Fatty acid esters Dicarboxylic acids and derivatives 1,2-dithiolanes Organic disulfides Carboxylic acid esters Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Lipoic_acid_derivative - Alkyldiacylglycerol - Fatty acid ester - Glycerolipid - Glycerol ether - Dicarboxylic acid or derivatives - Fatty acyl - 1,2-dithiolane - Carboxylic acid ester - Organic disulfide - Ether - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen 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