Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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