Compound Identification
SMILES
CC(CCC(=O)NCCS(O)(=O)=O)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OS(O)(=O)=O
InChIKey
InChIKey=HSNPMXROZIQAQD-UHFFFAOYSA-N
Formula
C26H45NO8S2
Mass
563.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Taurinated bile acids and derivatives
Alternative Parents
Sulfated steroids Sulfuric acid monoesters N-acyl amines Alkyl sulfates Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Taurinated bile acid - Sulfated steroid skeleton - Fatty amide - N-acyl-amine - Sulfuric acid monoester - Fatty acyl - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Organic sulfuric acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as taurinated bile acids and derivatives. These are bile acid derivatives containing a taurine conjugated to the bile acid moiety.
External Descriptors
Not available