Compound Identification
SMILES
CC(C(O)CCC(C)(C)O)C1CCC2(O)C3=CC(N)C4CC(=O)C(O)CC4(C)C3CCC12C
InChIKey
InChIKey=ATIGIIGWJMHHHJ-UHFFFAOYSA-N
Formula
C27H45NO5
Mass
463.659
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
Tetrahydroxy bile acids, alcohols and derivatives
Alternative Parents
Cholesterols and derivatives 3-oxo delta-7-steroids 14-hydroxysteroids Delta-7-steroids Tertiary alcohols Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol-skeleton - Cholestane-skeleton - Tetrahydroxy bile acid, alcohol, or derivatives - 25-hydroxysteroid - 22-hydroxysteroid - 3-oxo-delta-7-steroid - 3-oxosteroid - 2-hydroxysteroid - 14-hydroxysteroid - Hydroxysteroid - Oxosteroid - Delta-7-steroid - Cyclic alcohol - Tertiary alcohol - Ketone - Secondary alcohol - Cyclic ketone - Primary aliphatic amine - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Amine - Alcohol - Organonitrogen compound - Organooxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups.
External Descriptors
Not available