Compound Identification
SMILES
C[C@H](CCC(O)=O)[C@H]1CCC2C3CCC4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12
InChIKey
InChIKey=CNHZQNCLFFVYSU-BEHPHGPYSA-N
Formula
C43H70N4O7S
Mass
787.11
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
Steroid esters Biotin and derivatives Beta amino acids and derivatives Thienoimidazolidines Dicarboxylic acids and derivatives Imidazolidinones N-acyl amines Thiophenes Thiolanes Ureas Secondary carboxylic acid amides Carboxylic acid esters Dialkylthioethers Carboxylic acids Azacyclic compounds Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Steroid ester - Biotin_derivative - Beta amino acid or derivatives - Thienoimidazolidine - Dicarboxylic acid or derivatives - Fatty amide - Fatty acyl - Imidazolidinone - N-acyl-amine - Imidazolidine - Thiophene - Thiolane - Carboxamide group - Carboxylic acid ester - Urea - Secondary carboxylic acid amide - Dialkylthioether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Aliphatic heteropolycyclic 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