Structure Information
Structure

Compound Identification

SMILES

CC(CCC(O)C(CO)COS(O)(=O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(=O)C12C

InChIKey

InChIKey=INYCEUWXHYFKBW-UHFFFAOYSA-N

Formula

C27H46O9S

Mass

546.72

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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

Tetrahydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

26-hydroxysteroid - Tetrahydroxy bile acid, alcohol, or derivatives - 24-hydroxysteroid - Sulfated steroid skeleton - 3-hydroxysteroid - Hydroxysteroid - 12-oxosteroid - Oxosteroid - 7-hydroxysteroid - Sulfuric acid ester - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Ketone - Primary alcohol - Carbonyl group - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups.

External Descriptors

Not available

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