Compound Identification
SMILES
[Na+].C[C@H](CCC(=O)NCCS([O-])(=O)=O)[C@H]1CCC2C3C(CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
InChIKey
InChIKey=RKSAYDXINPFQGF-PFGONMSQSA-M
Formula
C26H38NNaO7S
Mass
531.64
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
7-oxosteroids 3-oxo-5-beta-steroids N-acyl amines Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary carboxylic acid amides Cyclic ketones Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Taurinated bile acid - 3-oxosteroid - Oxosteroid - 12-oxosteroid - 3-oxo-5-beta-steroid - 7-oxosteroid - Fatty amide - Fatty acyl - N-acyl-amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Carboxamide group - Secondary carboxylic acid amide - Cyclic ketone - Ketone - Carboxylic acid derivative - Organic alkali metal salt - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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