Compound Identification
SMILES
CC(CO)C1CCC2C3CCC4C([N+]#N)=C(O)CCC4(C)C3CCC12C
InChIKey
InChIKey=MLPGZRVFTNWGPH-UHFFFAOYSA-O
Formula
C22H35N2O2
Mass
359.533
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Hydroxy bile acids, alcohols and derivatives
Direct Parent
Dihydroxy bile acids, alcohols and derivatives
Alternative Parents
21-hydroxysteroids 3-hydroxysteroids Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Dihydroxy bile acid, alcohol, or derivatives - 21-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Organic cation - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
External Descriptors
Not available