Structure Information
Structure

Compound Identification

SMILES

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=ATGCWGYBHRGLQL-ANAHIRSTSA-N

Formula

C73H133N2O16PS

Mass

1357.9

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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

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 - Fatty acyl - Alkyl phosphate - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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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