Structure Information
Structure

Compound Identification

SMILES

CC(C(O)CCC(C)(C)O)C1CCC2(O)C3=CC(N)C4CC(=O)C(O)CC4(C)C3CCC12C

InChIKey

InChIKey=ATIGIIGWJMHHHJ-UHFFFAOYSA-N

Formula

C27H45NO5

Mass

463.659

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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

Aliphatic homopolycyclic compounds

Substituents

Cholesterol-skeleton - Cholestane-skeleton - Tetrahydroxy bile acid, alcohol, or derivatives - 25-hydroxysteroid - 22-hydroxysteroid - 3-oxo-delta-7-steroid - 3-oxosteroid - 2-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - Delta-7-steroid - Cyclic alcohol - Tertiary alcohol - Ketone - Secondary alcohol - Cyclic ketone - Primary aliphatic amine - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Amine - Alcohol - Organonitrogen compound - Organooxygen compound - Aliphatic 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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