Structure Information
Structure

Compound Identification

SMILES

C[C@H](CC\C=C(/C)C(=O)N[C@H](C(O)=O)C1=CC=CC=C1)[C@H]1CCC2=C3CCC4[C@H](C)[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O

InChIKey

InChIKey=FALJDIZCUAMADD-IOHVSPNJSA-N

Formula

C36H51NO7S

Mass

641.86

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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

Aromatic homopolycyclic compounds

Substituents

Glycinated bile acid - Sulfated steroid skeleton - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - N-acyl-amine - Organic sulfuric acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic 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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