Compound Identification
SMILES
C[C@H](CCC(=O)NCCC1=CC=C(C=C1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
InChIKey
InChIKey=PVXGSGFTPJENPW-VKGVBIQNSA-N
Formula
C32H44N2O6S
Mass
584.77
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
7-oxosteroids 3-oxo-5-beta-steroids Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides N-acyl amines Aminosulfonyl compounds Secondary carboxylic acid amides Cyclic ketones Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - 12-oxosteroid - Oxosteroid - 7-oxosteroid - 3-oxo-5-beta-steroid - 3-oxosteroid - Benzenesulfonamide - Benzenesulfonyl group - Benzenoid - Fatty amide - N-acyl-amine - Organosulfonic acid amide - Fatty acyl - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Cyclic ketone - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic 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