Compound Identification
SMILES
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=ATGCWGYBHRGLQL-ANAHIRSTSA-N
Formula
C73H133N2O16PS
Mass
1357.9
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 Sulfonyls Organosulfonic acids Alkanesulfonic acids Secondary carboxylic acid amides Carboxylic acid esters Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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 - Fatty acyl - Alkyl phosphate - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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