Compound Identification
SMILES
COC1=CC=C(C=C1)[C@H](NC(=O)C(=C)C(C)CC[C@@H](C)[C@H]1CCC2=C3CCC4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O)C(O)=O
InChIKey
InChIKey=QKCJZPYXEAGBFG-XGJRAJAMSA-N
Formula
C37H53NO8S
Mass
671.89
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
Ergostane steroids Sulfated steroids N-acyl-L-alpha-amino acids Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Sulfuric acid monoesters Alkyl sulfates N-acyl amines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Glycinated bile acid - Ergostane-skeleton - 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 - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - N-acyl-amine - Fatty acyl - Sulfate-ester - Sulfuric acid monoester - Alkyl sulfate - Sulfuric acid ester - Fatty amide - Benzenoid - Organic sulfuric acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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