Compound Identification
SMILES
[H][C@](O)(CC[C@@]([H])(COS(O)(=O)=O)[C@@]1([H])CC[C@]2([H])[C@]3([H])CC=C4[C@@]([H])(O)[C@@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(O)(=O)=O)C(C)=C
InChIKey
InChIKey=HDLPHIBCCYZBDB-WNGAXINWSA-N
Formula
C27H44O10S2
Mass
592.76
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
Dihydroxy bile acids, alcohols and derivatives
Alternative Parents
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
Dihydroxy bile acid, alcohol, or derivatives - 24-hydroxysteroid - Sulfated steroid skeleton - 4-hydroxysteroid - Hydroxysteroid - Delta-5-steroid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
External Descriptors
Not available