Compound Identification
SMILES
[Gd+3].CC(CCC(O)=O)[C@H]1CCC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)N(CC(O)=O)C(=O)CC[C@H](N(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O)C(O)=O
InChIKey
InChIKey=BGVRXTRUBOZEBZ-NHOPTQSKSA-N
Formula
C43H68GdN4O15
Mass
1038.28
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
Bile acids, alcohols and derivatives
Alternative Parents
Gamma-glutamyl amino acids Dipeptides Pregnane-type alkaloids Azasteroids and derivatives Glutamine and derivatives N-acyl-alpha amino acids L-alpha-amino acids Alkaloids and derivatives N-acyl amines Tertiary carboxylic acid amides Trialkylamines Amino acids Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Alpha-dipeptide - Gamma-glutamyl alpha-amino acid - Steroidal alkaloid - Pregnane-type alkaloid - Azasteroid - Glutamine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Alkaloid or derivatives - N-acyl-amine - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organic cation - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.
External Descriptors
Not available