Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(CC[C@]4(C)[C@H]3CC[C@]12C)O[C@H]1[C@H]([O-])O[C@@H]([C@H](O)[C@H]1O)C([O-])=O

InChIKey

InChIKey=CNGLDSGNOANJLT-SSLYPVKASA-M

Formula

C32H51NO11S

Mass

657.82

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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 heteropolycyclic compounds

Substituents

Taurinated bile acid - Glucuronic acid or derivatives - Beta-hydroxy acid - N-acyl-amine - Oxane - Pyran - Monosaccharide - Hydroxy acid - Fatty acyl - Fatty amide - Sulfonyl - Organosulfonic acid - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - 1,2-diol - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alkoxide - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Organic anion - Aliphatic heteropolycyclic 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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