Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCC(C)C1CCC2C3C(CC4CC(CCC4(C)C3CC(NC(=O)NC3=CC=CC=C3)C12C)[N+](C)(C)C)NC(=O)NC1=CC=CC=C1

InChIKey

InChIKey=OBDMJYMSNJQTRZ-UHFFFAOYSA-O

Formula

C42H62N5O4

Mass

700.988

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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

Aromatic homopolycyclic compounds

Substituents

Bile acid, alcohol, or derivatives - Pregnane-type alkaloid - Steroidal alkaloid - Azasteroid - N-phenylurea - Alkaloid or derivatives - Fatty acid ester - Fatty acid methyl ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Methyl ester - Carboxylic acid ester - Urea - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic 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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