Structure Information
Structure

Compound Identification

SMILES

[Na+].CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCNC(=O)CCC(=O)OCCO[C@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@H]23)C1)OC(=O)CCCCCCCCCCCCCCCCC

InChIKey

InChIKey=WCARBARBCZGRFS-ILPLFJKZSA-M

Formula

C73H132N2NaO16PS

Mass

1379.88

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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 - N-acyl-phosphatidylethanolamine - Glycero-3-phospho-n-acyl-ethanolamine - Glycerophospholipid - Tricarboxylic acid or derivatives - Phosphoethanolamine - Dialkyl phosphate - Fatty amide - N-acyl-amine - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acyl - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Dialkyl ether - Organic alkali metal salt - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organic sodium salt - Organic nitrogen compound - 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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