Compound Identification
SMILES
COC(=O)CCC(C)C1CCC2C3C(CCC12C)C1(C)CCCCC1C(Br)C3=O
InChIKey
InChIKey=ZELACZPTWWTTFT-UHFFFAOYSA-N
Formula
C25H39BrO3
Mass
467.488
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
Halogenated steroids 7-oxosteroids Fatty acid methyl esters Methyl esters Alpha-haloketones Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - 6-halo-steroid - 7-oxosteroid - Oxosteroid - Halo-steroid - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Alpha-haloketone - Methyl ester - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alkyl bromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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