Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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