Compound Identification
SMILES
CC(CCC(=O)C(C)C1C(=O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)COC(C)=O
InChIKey
InChIKey=SLRSTHDNKGLBAU-UHFFFAOYSA-N
Formula
C31H46O6
Mass
514.703
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 16-oxosteroids Delta-5-steroids Dicarboxylic acids and derivatives Cyclic ketones Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - 22-oxosteroid - 21-oxosteroid - Steroid ester - 16-oxosteroid - Oxosteroid - Delta-5-steroid - Dicarboxylic acid or derivatives - Ketone - Carboxylic acid ester - Cyclic ketone - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - 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