Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2[C@H](CO)CCC(O)=O)[C@@H](O)C[C@@H]1C[C@H](O)CC[C@]31C

InChIKey

InChIKey=TWCXLQXSLBRURL-ASYSNUCISA-N

Formula

C24H40O5

Mass

408.579

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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

Trihydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Trihydroxy bile acid, alcohol, or derivatives - 21-hydroxysteroid - 3-hydroxysteroid - 7-hydroxysteroid - 7-alpha-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - Cyclic alcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Primary alcohol - Organooxygen compound - Aliphatic homopolycyclic compound

Description

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

External Descriptors

LIPIDMAPS (LMST04010248) : C24 bile acids, alcohols, and derivatives

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