Compound Identification
SMILES
C[C@@H](C1CCC2C3CCC4CC(=O)C=C[C@]4(C)C3CC[C@]12C)C(=O)SCCNC(C)=O
InChIKey
InChIKey=YCNKTCKWWJKFGH-HZTFLFECSA-N
Formula
C26H39NO3S
Mass
445.66
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
3-oxo delta-1-steroids Delta-1-steroids Cyclohexenones Acetamides Thioesters Secondary carboxylic acid amides Carbothioic S-esters Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - 3-oxo-delta-1-steroid - 3-oxosteroid - Oxosteroid - Delta-1-steroid - Cyclohexenone - Acetamide - Carboxamide group - Ketone - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Cyclic ketone - Carbothioic s-ester - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen 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