Structure Information
Structure

Compound Identification

SMILES

CC(CCC(O)C(C)C(=O)SCCN)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

InChIKey

InChIKey=KNTLGYQRTJOUEW-UHFFFAOYSA-N

Formula

C29H51NO5S

Mass

525.79

Export to:

JSON SDF CSV

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

Tetrahydroxy bile acid, alcohol, or derivatives - 24-hydroxysteroid - 3-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - 7-hydroxysteroid - Fatty acyl thioester - Cyclic alcohol - Amino acid or derivatives - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Sulfenyl compound - Polyol - Thiocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - Primary amine - Amine - 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

Previous Back Next