Compound Identification
SMILES
CCSC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CC(OC=O)C12C)OC=O
InChIKey
InChIKey=RJZRYDPEOVDPRI-UHFFFAOYSA-N
Formula
C28H44O5S
Mass
492.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Bile acids, alcohols and derivatives
Alternative Parents
Steroid esters Fatty acyl thioesters Dicarboxylic acids and derivatives Thioesters Carboxylic acid esters Carbothioic S-esters Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Steroid ester - Fatty acyl thioester - Dicarboxylic acid or derivatives - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.
External Descriptors
Not available