Compound Identification
SMILES
COC1=CC=C(C=C1)[C@H](NC(=O)C(\C)=C\CC[C@@H](C)[C@H]1CCC2=C3CCC4[C@H](C)[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O)C(O)=O
InChIKey
InChIKey=VSYQKHHGYCVXBZ-LVSAIRLMSA-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
Sulfated steroids N-acyl-L-alpha-amino acids Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Sulfuric acid monoesters Alkyl sulfates N-acyl amines Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Glycinated bile acid - Sulfated steroid skeleton - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - N-acyl-amine - Monocyclic benzene moiety - Benzenoid - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - 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