Compound Identification
SMILES
CC(=C)CCC[C@@H](COS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](CC[C@@]4(C)[C@H]3CC[C@@]12C)OS(O)(=O)=O
InChIKey
InChIKey=BLDUAAGTHAUMSY-KPHOALHISA-N
Formula
C27H44O9S2
Mass
576.76
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
Monohydroxy bile acids, alcohols and derivatives
Alternative Parents
Cholesterols and derivatives Hydroxysteroids Delta-5-steroids Sulfated steroids Sulfuric acid monoesters Alkyl sulfates Secondary alcohols Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Cholestane-skeleton - Monohydroxy bile acid, alcohol, or derivatives - Sulfated steroid skeleton - Hydroxysteroid - 4-hydroxysteroid - Delta-5-steroid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.
External Descriptors
Not available