Compound Identification
SMILES
C[C@H](CC\C=C(/C)C(=O)N[C@H](C(O)=O)C1=CC=CC=C1)[C@H]1CCC2=C3CCC4[C@H](C)[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O
InChIKey
InChIKey=FALJDIZCUAMADD-IOHVSPNJSA-N
Formula
C36H51NO7S
Mass
641.86
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-L-alpha-amino acids Sulfuric acid monoesters N-acyl amines Benzene and substituted derivatives Alkyl sulfates Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Glycinated bile acid - Sulfated steroid skeleton - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - N-acyl-amine - Organic sulfuric acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic 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