Compound Identification
SMILES
CC(CCC(=O)NC(CSCC(O)=O)C(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
InChIKey
InChIKey=ZWSORXOIMLQGIS-UHFFFAOYSA-N
Formula
C29H47NO7S
Mass
553.76
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 7-hydroxysteroids 3-hydroxysteroids N-acyl-alpha amino acids Cysteine and derivatives N-acyl amines Fatty acids and conjugates Dicarboxylic acids and derivatives Secondary carboxylic acid amides Secondary alcohols Cyclic alcohols and derivatives Sulfenyl compounds Dialkylthioethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Glycinated bile acid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 7-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Cysteine or derivatives - Alpha-amino acid or derivatives - Fatty acyl - Fatty acid - N-acyl-amine - Fatty amide - Dicarboxylic acid or derivatives - Cyclic alcohol - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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
Not available