Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCC(=O)N[C@@H](CC1=CC(I)=C(O)C=C1I)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChIKey

InChIKey=FJMISMJPHDFLOO-OQLKFYGXSA-N

Formula

C33H47I2NO6

Mass

807.549

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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 - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - Tyrosine or derivatives - Phenylalanine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 2-halophenol - 3-iodophenol - 2-iodophenol - 3-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Iodobenzene - Phenol - Halobenzene - N-acyl-amine - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl iodide - Fatty amide - Fatty acyl - Cyclic alcohol - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organoiodide - Organohalogen 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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