Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(C(O)CO)C(CC(O)CO)(C(O)CO)C(O)CO

InChIKey

InChIKey=HLEDQQBHCLMZKO-SIQJDHJLSA-N

Formula

C29H46O10

Mass

554.677

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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

Tetrahydroxy bile acid, alcohol, or derivatives - 24-hydroxysteroid - 23-hydroxysteroid - 21-hydroxysteroid - 20-hydroxysteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - Delta-4-steroid - Fatty alcohol - Cyclohexenone - Fatty acyl - 1,2-diol - Cyclic ketone - Secondary alcohol - Ketone - Polyol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Organooxygen compound - 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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