Compound Identification
SMILES
CC(CCC(O)=O)C1CCC2C3C(CC(OC(C)=O)C12C)C1(C)CCC(CC1CC3=O)OC(C)=O
InChIKey
InChIKey=RQOCCMCXCOZBHF-UHFFFAOYSA-N
Formula
C28H42O7
Mass
490.637
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 7-oxosteroids Tricarboxylic acids and derivatives Ketones Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Steroid ester - 7-oxosteroid - Oxosteroid - Tricarboxylic acid or derivatives - Ketone - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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