Structure Information
Structure

Compound Identification

SMILES

CC(C)CCCC(COS(O)(=O)=O)C1CCC2C3CC=C4CC(CCC4(C)C3C(O)CC12C)OS(O)(=O)=O

InChIKey

InChIKey=PYKNYQHKXCHSMJ-UHFFFAOYSA-N

Formula

C27H46O9S2

Mass

578.78

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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

Monohydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Cholesterol - Cholestane-skeleton - Monohydroxy bile acid, alcohol, or derivatives - Sulfated steroid skeleton - Hydroxysteroid - 11-hydroxysteroid - Delta-5-steroid - Sulfate-ester - Sulfuric acid monoester - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Alcohol - Organic oxygen compound - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.

External Descriptors

Not available

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