Compound Identification
SMILES
C[C@H](CCC(=O)NC1=NN=C(S1)S(N)(=O)=O)[C@H]1CCC2C3C(CC(=O)[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
InChIKey
InChIKey=WLFJOGAKBXGCPY-JGEAXKCFSA-N
Formula
C26H36N4O6S2
Mass
564.72
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 Thiadiazole sulfonamides N-arylamides Organosulfonamides Fatty amides Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Cyclic ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - 3-oxosteroid - 12-oxosteroid - Oxosteroid - 7-oxosteroid - 3-oxo-5-beta-steroid - 1,3,4-thiadiazole-2-sulfonamide - N-arylamide - Organosulfonic acid amide - Fatty amide - Fatty acyl - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Thiadiazole - Heteroaromatic compound - Sulfonyl - Azole - Organosulfonic acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - Cyclic ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic 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