Compound Identification
SMILES
CC(CCC(O)=O)C1CCC2C3C(CC(C(O)=O)C12C)C1(C)CCC(CC1C(Br)C3=O)C(O)=O
InChIKey
InChIKey=BHRXAICFKZIDHZ-UHFFFAOYSA-N
Formula
C26H37BrO7
Mass
541.479
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-carboxy steroids Halogenated steroids 7-oxosteroids Tricarboxylic acids and derivatives Alpha-haloketones Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - 3-carboxy steroid - Steroid acid - 6-halo-steroid - Halo-steroid - 7-oxosteroid - Oxosteroid - Tricarboxylic acid or derivatives - Alpha-haloketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl bromide - Carbonyl group - Organic oxygen compound - Alkyl halide - Organohalogen compound - Organobromide - 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