Compound Identification
SMILES
COC(=O)CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3=CC(=O)C12C
InChIKey
InChIKey=YZEDSRLNMYJIDR-UHFFFAOYSA-N
Formula
C25H36O4
Mass
400.559
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
3-oxosteroids Fatty acid methyl esters Cyclohexenones Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - 3-oxosteroid - 12-oxosteroid - Oxosteroid - Cyclohexenone - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Methyl ester - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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