Compound Identification
SMILES
[Na+].C[C@H](CCC(=O)NCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIKey
InChIKey=OABYVIYXWMZFFJ-ZUHYDKSRSA-M
Formula
C26H42NNaO6
Mass
487.613
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
Trihydroxy bile acids, alcohols and derivatives 12-hydroxysteroids 3-alpha-hydroxysteroids 7-hydroxysteroids N-acyl-alpha amino acids N-acyl amines Secondary carboxylic acid amides Secondary alcohols Carboxylic acid salts Cyclic alcohols and derivatives Polyols Carboxylic acids Monocarboxylic acids and derivatives Organic sodium salts Organopnictogen compounds Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Glycinated bile acid - Trihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 12-hydroxysteroid - Hydroxysteroid - 7-hydroxysteroid - 3-alpha-hydroxysteroid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Fatty amide - Fatty acyl - N-acyl-amine - Cyclic alcohol - Secondary alcohol - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid salt - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic alkali metal salt - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic sodium salt - Organic salt - Organic zwitterion - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Alcohol - 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
CHEBI:36273 : bile salt