Compound Identification
SMILES
[Na+].CC(C)[C@@H](O)CC[C@@H](C)C1C[C@@H](O)C2[C@]1(C)CCC1[C@@]3(C)CC[C@H](O)[C@H](O)C3[C@@H](OS([O-])(=O)=O)[C@@H](O)C21O
InChIKey
InChIKey=WPCLIVWLFVHGMW-IIDPQGCLSA-M
Formula
C27H47NaO10S
Mass
586.71
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
Pentahydroxy bile acids, alcohols and derivatives
Alternative Parents
7-hydroxysteroids 3-beta-hydroxysteroids Sulfated steroids Sulfuric acid monoesters Alkyl sulfates Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Pentahydroxy bile acid, alcohol, or derivatives - 24-hydroxysteroid - Sulfated steroid skeleton - 3-hydroxysteroid - 4-hydroxysteroid - 15-hydroxysteroid - Hydroxysteroid - 3-beta-hydroxysteroid - 7-hydroxysteroid - Sulfate-ester - Sulfuric acid monoester - Sulfuric acid ester - Alkyl sulfate - Tertiary alcohol - Cyclic alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Organic alkali metal salt - Polyol - Alcohol - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic sodium salt - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups.
External Descriptors
Not available