Structure Information
Structure

Compound Identification

SMILES

[H]C(C)(CCC(=O)NC1=CC=C(C=C1)C(N)=O)C1([H])CCC2([H])C3([H])C([H])(O)CC4([H])CC([H])(O)CCC4(C)C3([H])CC([H])(O)C12C

InChIKey

InChIKey=YXVUWMWBDPBZBZ-UHFFFAOYSA-N

Formula

C31H46N2O5

Mass

526.718

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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

Trihydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Trihydroxy bile acid, alcohol, or derivatives - 7-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - Acylaminobenzoic acid or derivatives - Anilide - Benzoic acid or derivatives - Benzamide - N-arylamide - Benzoyl - Fatty acyl - Benzenoid - Fatty amide - Monocyclic benzene moiety - Cyclic alcohol - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Polyol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic homopolycyclic compound

Description

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

External Descriptors

Not available

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