Compound Identification
SMILES
C[N+](C)(C)CCO.CC(CCC([O-])=O)[C@H]1CC[C@H]2C3[C@H](CC(=O)C12C)C1(C)CCC(=O)CC1CC3=O
InChIKey
InChIKey=GJENXZXAFXDOTP-RKKBMPFMSA-M
Formula
C29H47NO6
Mass
505.696
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
7-oxosteroids 3-oxosteroids Cholines Tetraalkylammonium salts Cyclic ketones Carboxylic acid salts 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Bile acid, alcohol, or derivatives - 3-oxosteroid - 7-oxosteroid - Oxosteroid - 12-oxosteroid - Choline - Tetraalkylammonium salt - Quaternary ammonium salt - 1,2-aminoalcohol - Cyclic ketone - Carboxylic acid salt - Ketone - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Organic cation - 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