Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCC(=C)[C@H](C)CO)[C@H]1CC(=O)C2=C3C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey

InChIKey=ZQHSDLDNYVKIDE-OJTWWPIFSA-N

Formula

C28H44O5

Mass

460.655

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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

Ergosterol-skeleton - Ergostane-skeleton - Tetrahydroxy bile acid, alcohol, or derivatives - 26-hydroxysteroid - 3-hydroxysteroid - 4-hydroxysteroid - 6-hydroxysteroid - 3-beta-hydroxysteroid - Hydroxysteroid - 15-oxosteroid - Oxosteroid - Fatty alcohol - Fatty acyl - Cyclic alcohol - Ketone - Secondary alcohol - Polyol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Alcohol - 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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