Compound Identification
SMILES
C[C@H](CCC(O)=O)[C@H]1CCC2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
InChIKey
InChIKey=BHQCQFFYRZLCQQ-WPSYYDGTSA-N
Formula
C24H40O5
Mass
408.579
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 Triterpenoids 7-alpha-hydroxysteroids 3-alpha-hydroxysteroids 12-hydroxysteroids Short-chain hydroxy acids and derivatives Fatty acids and conjugates Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Polycyclic triterpenoid - Triterpenoid - Trihydroxy bile acid, alcohol, or derivatives - 7-hydroxysteroid - 7-alpha-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - Short-chain hydroxy acid - Fatty acid - Cyclic alcohol - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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