Compound Identification
SMILES
[H][C@](CO)(CCC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C)COS([O-])(=O)=O
InChIKey
InChIKey=KAOLEMQCYWHOJQ-IUFSEJPUSA-M
Formula
C27H47O8S
Mass
531.73
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-hydroxysteroids 3-alpha-hydroxysteroids 12-hydroxysteroids Sulfated steroids Sulfuric acid monoesters Alkyl sulfates Secondary alcohols Cyclic alcohols and derivatives Polyols Primary alcohols Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
26-hydroxysteroid - Tetrahydroxy bile acid, alcohol, or derivatives - Sulfated steroid skeleton - 3-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - 7-hydroxysteroid - Sulfate-ester - Sulfuric acid monoester - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Polyol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organic oxygen compound - Alcohol - Organic anion - 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