Compound Identification
SMILES
CC(CO)CCC(O)C(C)C1C(CCSC=O)CC2C3CCC4CC(O)CCC4(C)C3CCC12C
InChIKey
InChIKey=YKKUSUCDYNQPHI-UHFFFAOYSA-N
Formula
C30H52O4S
Mass
508.8
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Hydroxy bile acids, alcohols and derivatives
Direct Parent
Trihydroxy bile acids, alcohols and derivatives
Alternative Parents
3-hydroxysteroids Thioesters Secondary alcohols Cyclic alcohols and derivatives Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
26-hydroxysteroid - Trihydroxy bile acid, alcohol, or derivatives - 22-hydroxysteroid - 3-hydroxysteroid - Hydroxysteroid - Cyclic alcohol - Thiocarboxylic acid ester - Secondary alcohol - Carbothioic s-ester - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Sulfenyl compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.
External Descriptors
Not available