Compound Identification
SMILES
C[C@H](CCCO)[C@H]1CC[C@H]2C3[C@@H](CC4C[C@@H](CCC4(C)[C@H]3C[C@H](NC(=O)[C@@H](N)CCCCN)[C@]12C)NC(=O)[C@@H](N)CCCCN)NC(=O)[C@@H](N)CCCCN
InChIKey
InChIKey=AYNZKJOTTRHJKW-VBJSWFTNSA-N
Formula
C42H81N9O4
Mass
776.169
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
Pregnane-type alkaloids Hydroxysteroids Azasteroids and derivatives Alpha amino acid amides Alkaloids and derivatives N-acyl amines Secondary carboxylic acid amides Primary alcohols Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
24-hydroxysteroid - Monohydroxy bile acid, alcohol, or derivatives - Steroidal alkaloid - Pregnane-type alkaloid - Azasteroid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Alkaloid or derivatives - Fatty amide - Fatty acyl - N-acyl-amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Amine - Organic oxygen compound - Organooxygen compound - Primary alcohol - 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