Compound Identification
SMILES
[Na+].C[C@H](CC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIKey
InChIKey=PVDALWMKRCLVNO-HMKONNBLSA-N
Formula
C23H38NaO5
Mass
417.541
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
Trihydroxy bile acids, alcohols and derivatives
Alternative Parents
Vitamin D and derivatives 7-alpha-hydroxysteroids 3-alpha-hydroxysteroids 12-hydroxysteroids Diterpenoids Fatty acids and conjugates Secondary alcohols Cyclic alcohols and derivatives Organic alkali metal salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Trihydroxy bile acid, alcohol, or derivatives - Diterpenoid - 7-hydroxysteroid - 7-alpha-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - Fatty acid - Cyclic alcohol - Secondary alcohol - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Alcohol - Organic cation - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.
External Descriptors
Not available