Compound Identification
SMILES
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CCC2C3[C@H](O)C[C@@H]4CCCC[C@]4(C)C3C[C@H](O)[C@]12C
InChIKey
InChIKey=BMWSFHZBPQDIQC-ABFCIMNRSA-N
Formula
C26H45NO6S
Mass
499.71
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
Taurinated bile acids and derivatives
Alternative Parents
Vitamin D and derivatives Triterpenoids Dihydroxy bile acids, alcohols and derivatives 7-alpha-hydroxysteroids 12-hydroxysteroids N-acyl amines Sulfonyls Organosulfonic acids Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Taurinated bile acid - Triterpenoid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 7-hydroxysteroid - 7-alpha-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - Fatty acyl - N-acyl-amine - Fatty amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic alcohol - Secondary alcohol - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as taurinated bile acids and derivatives. These are bile acid derivatives containing a taurine conjugated to the bile acid moiety.
External Descriptors
Not available