Compound Identification
SMILES
CC[N+](CC)(CC)CC.C[C@H](CCC([O-])=O)[C@H]1CCC2C3CC[C@@H]4CC(O)(O)C(O)C[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=KIHDCQQFWYWCDR-VARYBCSTSA-M
Formula
C32H59NO5
Mass
537.826
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
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
Dihydroxy bile acids, alcohols and derivatives
Alternative Parents
Vitamin D and derivatives Triterpenoids 3-hydroxysteroids Fatty acids and conjugates Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Carbonyl hydrates Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Triterpenoid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxysteroid - 2-hydroxysteroid - 3-hydroxysteroid - Fatty acid - Cyclic alcohol - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Carbonyl hydrate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
External Descriptors
Not available