Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=HSNPMXROZIQAQD-GBURMNQMSA-N

Formula

C26H45NO8S2

Mass

563.77

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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 - Sulfated steroid skeleton - Fatty amide - N-acyl-amine - Sulfuric acid monoester - Sulfate-ester - Fatty acyl - Sulfuric acid ester - Alkyl sulfate - Organic sulfuric acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carbonyl group - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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

CHEBI:17864 : steroid sulfate
LIPIDMAPS (LMST05020003) : Sulfates
KEGG (C03642) : sulfates - C26 bile acids, alcohols, and derivatives - Taurine conjugates

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