Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].C[C@H](CCC(=O)NCCCC(NC(=O)CC[C@@H](C)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OS([O-])(=O)=O)C(=O)NCCCCCNC(=O)C(CCCNC(=O)CC[C@@H](C)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OS([O-])(=O)=O)NC(=O)CC[C@@H](C)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OS([O-])(=O)=O)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OS([O-])(=O)=O
InChIKey
InChIKey=AMQXTYNAPPUMIE-JSJFEOCOSA-J
Formula
C111H182N6Na4O22S4
Mass
2172.9
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
Glycinated bile acids and derivatives
Alternative Parents
Sulfated steroids N-acyl-alpha amino acids and derivatives Alpha amino acid amides Sulfuric acid monoesters N-acyl amines Alkyl sulfates Secondary carboxylic acid amides Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Glycinated bile acid - Sulfated steroid skeleton - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organic alkali metal salt - Carboxylic acid derivative - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as glycinated bile acids and derivatives. These are compounds with a structure characterized by the presence of a glycine linked to a bile acid skeleton.
External Descriptors
Not available