Compound Identification
SMILES
[K+].[H]O[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]([H])(C1([H])[H])C([H])([H])[C@@]([H])(O[H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S([O-])(=O)=O)[C@@]3(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[C@]21[H]
InChIKey
InChIKey=DMYWDAAJMXQHLP-SMLJNTKQSA-M
Formula
C26H44KNO7S
Mass
553.8
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
Trihydroxy bile acids, alcohols and derivatives 7-hydroxysteroids 3-alpha-hydroxysteroids 12-hydroxysteroids N-acyl amines Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary carboxylic acid amides Secondary alcohols Cyclic alcohols and derivatives Polyols Organopnictogen compounds Organonitrogen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Taurinated bile acid - Trihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 7-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - Fatty acyl - N-acyl-amine - Fatty amide - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic alcohol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Organic alkali metal salt - Polyol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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