Compound Identification
SMILES
[Na+].CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCNC(=O)CCC(=O)OCCO[C@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@H]23)C1)OC(=O)CCCCCCCCCCCCCCCCC
InChIKey
InChIKey=WCARBARBCZGRFS-ILPLFJKZSA-M
Formula
C73H132N2NaO16PS
Mass
1379.88
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
N-acyl-phosphatidylethanolamines Tricarboxylic acids and derivatives Phosphoethanolamines Dialkyl phosphates N-acyl amines Alkanesulfonic acids Sulfonyls Organosulfonic acids Carboxylic acid esters Secondary carboxylic acid amides Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts Organonitrogen compounds Organic cations
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Taurinated bile acid - N-acyl-phosphatidylethanolamine - Glycero-3-phospho-n-acyl-ethanolamine - Glycerophospholipid - Tricarboxylic acid or derivatives - Phosphoethanolamine - Dialkyl phosphate - Fatty amide - N-acyl-amine - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Fatty acyl - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Dialkyl ether - Organic alkali metal salt - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organic sodium salt - Organic nitrogen compound - 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