Compound Identification
SMILES
[Br-].[Br-].[Br-].CCCCCCCCCCCCCCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC(=O)CCC[N+](C)(C)C)[C@]12C)OC(=O)CCC[N+](C)(C)C)OC(=O)CCC[N+](C)(C)C
InChIKey
InChIKey=RYPFGZXJILLGIV-QMKIDCOOSA-K
Formula
C61H114Br3N3O8
Mass
1257.308
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
Bile acids, alcohols and derivatives
Alternative Parents
Steroid esters Tetracarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid esters Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Steroid ester - Tetracarboxylic acid or derivatives - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic salt - Organic cation - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.
External Descriptors
Not available