Compound Identification
SMILES
CC(CCC(O)C(CO)COS(O)(=O)=O)C1CCC2C3C(CC(O)C12C)C1(C)CCC(O)CC1CC3=O
InChIKey
InChIKey=PAYXXEDCKIRGTF-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
7-oxosteroids 3-hydroxysteroids 12-hydroxysteroids Sulfated steroids Sulfuric acid monoesters Alkyl sulfates Secondary alcohols Ketones Cyclic alcohols and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
26-hydroxysteroid - Tetrahydroxy bile acid, alcohol, or derivatives - 24-hydroxysteroid - Sulfated steroid skeleton - 12-hydroxysteroid - 3-hydroxysteroid - 7-oxosteroid - Hydroxysteroid - Oxosteroid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Cyclic alcohol - Ketone - Secondary alcohol - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Primary alcohol - Carbonyl group - 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