Compound Identification
SMILES
[Na+].[Na+].CC(C)\C=C\[C@@H](COS([O-])(=O)=O)[C@H]1CCC2C3CC[C@@H]4[C@H](O)[C@@H](CCC4(C)C3[C@@H](O)CC12C)OS([O-])(=O)=O
InChIKey
InChIKey=RIPSUPLSIKBWQU-VLECGRQKSA-L
Formula
C26H42Na2O10S2
Mass
624.71
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Hydroxy bile acids, alcohols and derivatives
Direct Parent
Dihydroxy bile acids, alcohols and derivatives
Alternative Parents
11-beta-hydroxysteroids Sulfated steroids Sulfuric acid monoesters Alkyl sulfates Secondary alcohols Cyclic alcohols and derivatives Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Dihydroxy bile acid, alcohol, or derivatives - Sulfated steroid skeleton - 4-hydroxysteroid - Hydroxysteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Organic alkali metal salt - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organic salt - Organic oxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
External Descriptors
Not available