Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)[C@H](NC(=O)C(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O)C(O)=O

InChIKey

InChIKey=XSTWYRBJPLEMGZ-BOROIFGRSA-N

Formula

C33H55NO7S

Mass

609.86

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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 - Delta-5-steroid - Isoleucine or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Sulfuric acid ester - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Organic sulfuric acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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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