Structure Information
Structure

Compound Identification

SMILES

CC(CCC(O)=O)[C@H]1CCC2C3CCC4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OCC(=O)NCCCC[C@@H](N(CCC(CC(O)=O)CC(O)=O)CCC(CC(O)=O)CC(O)=O)C(O)=O

InChIKey

InChIKey=GHTNKZILDSRSHS-VGTXSGEXSA-N

Formula

C46H74N2O14

Mass

879.098

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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

Not available

Direct Parent

Bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Bile acid, alcohol, or derivatives - Hexacarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Amino acid - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organic oxide - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.

External Descriptors

Not available

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