Compound Identification
SMILES
CC(CCC(=O)NCCCN(C)C)C1CCC2C3C(O)CC4CC(O)C=CC4(C)C3CC(O)C12C
InChIKey
InChIKey=SPDOVTGFUFVLKX-UHFFFAOYSA-N
Formula
C29H50N2O4
Mass
490.729
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
Trihydroxy bile acids, alcohols and derivatives
Alternative Parents
7-hydroxysteroids 3-hydroxy delta-1-steroids 12-hydroxysteroids Delta-1-steroids N-acyl amines Trialkylamines Secondary carboxylic acid amides Secondary alcohols Cyclic alcohols and derivatives Amino acids and derivatives Polyols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Trihydroxy bile acid, alcohol, or derivatives - 7-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-1-steroid - Delta-1-steroid - Fatty acyl - N-acyl-amine - Fatty amide - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Amino acid or derivatives - Polyol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.
External Descriptors
Not available