Compound Identification
SMILES
[Na+].CC(CCC(=O)NCCS([O-])(=O)=O)[C@H]1CCC2C3CCC4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OP(O)(O)=O
InChIKey
InChIKey=ILJRLQILRWJFRG-GYDLOZKYSA-M
Formula
C26H45NNaO8PS
Mass
585.67
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
Monoalkyl phosphates N-acyl amines Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary carboxylic acid amides Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Taurinated bile acid - Monoalkyl phosphate - Fatty amide - N-acyl-amine - Organic phosphoric acid derivative - Fatty acyl - Phosphoric acid ester - Alkyl phosphate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Carboxamide group - Secondary carboxylic acid amide - Organic alkali metal salt - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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