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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
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
Pregnane-type alkaloids Azasteroids and derivatives N-phenylureas Alkaloids and derivatives Fatty acid methyl esters Tetraalkylammonium salts Methyl esters Ureas Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
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