Structure Information
Structure

Compound Identification

SMILES

CC(CO)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

InChIKey

InChIKey=OQIJRBFRXGIHMI-UHFFFAOYSA-N

Formula

C27H48O3

Mass

420.678

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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

26-hydroxysteroid - Trihydroxy bile acid, alcohol, or derivatives - 7-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Fatty alcohol - Fatty acyl - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - 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

META CYC (CPD-10586) : a small molecule

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