Compound Identification
SMILES
CC(CCC(O)=NCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(OS(O)(=O)=O)C12C
InChIKey
InChIKey=JZLKXIMBAHDSBJ-UHFFFAOYSA-N
Formula
C26H43NO9S
Mass
545.69
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
Dihydroxy bile acids, alcohols and derivatives 3-hydroxysteroids 7-hydroxysteroids Sulfated steroids N-acyl-alpha amino acids Sulfuric acid monoesters Alkyl sulfates Secondary alcohols Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Glycinated bile acid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Sulfated steroid skeleton - 3-hydroxysteroid - Hydroxysteroid - 7-hydroxysteroid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Cyclic alcohol - Organic sulfuric acid or derivatives - Secondary alcohol - Carboximidic acid - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Carboximidic acid derivative - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organonitrogen compound - 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