Structure Information
Structure

Compound Identification

SMILES

[Na+].CC(CCC(=O)NCCS([O-])(=O)=O)[C@H]1CCC2C3CCC4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OP(O)(O)=O

InChIKey

InChIKey=ILJRLQILRWJFRG-GYDLOZKYSA-M

Formula

C26H45NNaO8PS

Mass

585.67

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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 - Monoalkyl phosphate - Fatty amide - N-acyl-amine - Organic phosphoric acid derivative - Fatty acyl - Phosphoric acid ester - Alkyl phosphate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Carboxamide group - Secondary carboxylic acid amide - Organic alkali metal salt - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - 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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