Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Na+].[Na+].C[C@H](CCC(=O)NCCCC(NC(=O)CC[C@@H](C)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OS([O-])(=O)=O)C(=O)NCCCCCNC(=O)C(CCCNC(=O)CC[C@@H](C)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OS([O-])(=O)=O)NC(=O)CC[C@@H](C)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OS([O-])(=O)=O)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OS([O-])(=O)=O

InChIKey

InChIKey=AMQXTYNAPPUMIE-JSJFEOCOSA-J

Formula

C111H182N6Na4O22S4

Mass

2172.9

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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 or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organic alkali metal salt - Carboxylic acid derivative - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen 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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