Compound Identification
SMILES
CC(CCCC(C)C(O)=O)C1CCC2C3C(O)CC4=CC(N)CCC4(C)C3CCC12C
InChIKey
InChIKey=VVYUSBXZKGXDHO-UHFFFAOYSA-N
Formula
C27H45NO3
Mass
431.661
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
Monohydroxy bile acids, alcohols and derivatives
Alternative Parents
Steroid acids Pregnane-type alkaloids 7-hydroxysteroids Azasteroids and derivatives Delta-4-steroids Alkaloids and derivatives Medium-chain fatty acids Hydroxy fatty acids Secondary alcohols Amino acids Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Monohydroxy bile acid, alcohol, or derivatives - Steroid acid - Pregnane-type alkaloid - Steroidal alkaloid - Hydroxysteroid - 7-hydroxysteroid - Azasteroid - Delta-4-steroid - Alkaloid or derivatives - Medium-chain fatty acid - Hydroxy fatty acid - Fatty acyl - Cyclic alcohol - Secondary alcohol - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Primary amine - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.
External Descriptors
Not available