Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCCO)[C@H]1CC[C@H]2C3[C@@H](CC4C[C@@H](CCC4(C)[C@H]3C[C@H](NC(=O)[C@@H](N)CCCCN)[C@]12C)NC(=O)[C@@H](N)CCCCN)NC(=O)[C@@H](N)CCCCN

InChIKey

InChIKey=AYNZKJOTTRHJKW-VBJSWFTNSA-N

Formula

C42H81N9O4

Mass

776.169

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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

24-hydroxysteroid - Monohydroxy bile acid, alcohol, or derivatives - Steroidal alkaloid - Pregnane-type alkaloid - Azasteroid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Alkaloid or derivatives - Fatty amide - Fatty acyl - N-acyl-amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Amine - Organic oxygen compound - Organooxygen compound - Primary alcohol - 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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