Compound Identification
SMILES
CC(CCC(O)=O)[C@H]1CCC2C3CCC4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OCC(=O)NCCCC[C@@H](N(CCC(CC(O)=O)CC(O)=O)CCC(CC(O)=O)CC(O)=O)C(O)=O
InChIKey
InChIKey=GHTNKZILDSRSHS-VGTXSGEXSA-N
Formula
C46H74N2O14
Mass
879.098
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
Hexacarboxylic acids and derivatives D-alpha-amino acids Trialkylamines Secondary carboxylic acid amides Amino acids Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Hexacarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Amino acid - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organic oxide - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - 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