Compound Identification
SMILES
C[C@H](CCC(=O)N[C@@H](CC1=CC(I)=C(O)C=C1I)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChIKey
InChIKey=FJMISMJPHDFLOO-OQLKFYGXSA-N
Formula
C33H47I2NO6
Mass
807.549
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 Tyrosine and derivatives 3-alpha-hydroxysteroids 12-hydroxysteroids Phenylalanine and derivatives N-acyl-L-alpha-amino acids Phenylpropanoic acids Amphetamines and derivatives O-iodophenols M-iodophenols Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Aryl iodides Secondary carboxylic acid amides Secondary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organopnictogen compounds Organic oxides Organoiodides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Glycinated bile acid - Dihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - Tyrosine or derivatives - Phenylalanine or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 2-halophenol - 3-iodophenol - 2-iodophenol - 3-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Iodobenzene - Phenol - Halobenzene - N-acyl-amine - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl iodide - Fatty amide - Fatty acyl - Cyclic alcohol - Secondary carboxylic acid amide - Carboxamide group - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organoiodide - Organohalogen 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