Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@](O)(CCCN(C)C5=CC=C(C=C5)[C@H]5C[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]6CCC7=CC(=O)CCC7=C56)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChIKey

InChIKey=GQEQHLNZHYICRU-BUMLABJASA-N

Formula

C54H75NO7

Mass

850.194

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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

Hydroxy bile acids, alcohols and derivatives

Direct Parent

Tetrahydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Tetrahydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 3-oxosteroid - 12-hydroxysteroid - Hydroxysteroid - Oxosteroid - 7-hydroxysteroid - 17-hydroxysteroid - 3-alpha-hydroxysteroid - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Ynone - Cyclic alcohol - Tertiary alcohol - Cyclic ketone - Tertiary amine - Secondary alcohol - Amino acid - Amino acid or derivatives - Ketone - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Acetylide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Amine - Alcohol - Organic oxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups.

External Descriptors

Not available

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