Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].CC(CCC(=O)NCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS([O-])(=O)=O

InChIKey

InChIKey=FXMCQRUEVPOMSC-YXLKSYDZSA-L

Formula

C26H41NNa2O7S

Mass

557.65

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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

Glycinated bile acids and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Glycinated bile acid - Sulfated steroid skeleton - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - N-acyl-amine - Fatty acyl - Fatty amide - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen 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 glycinated bile acids and derivatives. These are compounds with a structure characterized by the presence of a glycine linked to a bile acid skeleton.

External Descriptors

Not available

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