Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].CC(=C)[C@H](O)CC[C@@H](COS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OS([O-])(=O)=O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C

InChIKey

InChIKey=DNCJZZHRJFUNRD-CZMVBVRXSA-L

Formula

C27H42Na2O10S2

Mass

636.72

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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

Dihydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Dihydroxy bile acid, alcohol, or derivatives - 24-hydroxysteroid - Sulfated steroid skeleton - 2-hydroxysteroid - Hydroxysteroid - Delta-5-steroid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Cyclic alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Organic alkali metal salt - Organooxygen compound - Organic sodium salt - Organic oxide - Alcohol - Organic oxygen compound - Organic salt - Hydrocarbon derivative - 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

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