Compound Identification
SMILES
CC(CCC(O)C(COS(O)(=O)=O)C=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
InChIKey
InChIKey=SWTMSIAIQLGQJZ-UHFFFAOYSA-N
Formula
C27H46O9S
Mass
546.72
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
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
Oxosteroids 7-hydroxysteroids 3-hydroxysteroids 12-hydroxysteroids Sulfated steroids Sulfuric acid monoesters Beta-hydroxy aldehydes Alkyl sulfates Secondary alcohols Cyclic alcohols and derivatives Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
27-oxosteroid - Tetrahydroxy bile acid, alcohol, or derivatives - 26-oxosteroid - 24-hydroxysteroid - Sulfated steroid skeleton - 3-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - 7-hydroxysteroid - Oxosteroid - Beta-hydroxy aldehyde - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Polyol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aldehyde - Organic oxygen 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