Compound Identification
SMILES
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(C(O)CO)C(CC(O)CO)(C(O)CO)C(O)CO
InChIKey
InChIKey=HLEDQQBHCLMZKO-SIQJDHJLSA-N
Formula
C29H46O10
Mass
554.677
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
21-hydroxysteroids 3-oxo delta-4-steroids 11-oxosteroids Delta-4-steroids Fatty alcohols Cyclohexenones Secondary alcohols 1,2-diols Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Tetrahydroxy bile acid, alcohol, or derivatives - 24-hydroxysteroid - 23-hydroxysteroid - 21-hydroxysteroid - 20-hydroxysteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - Delta-4-steroid - Fatty alcohol - Cyclohexenone - Fatty acyl - 1,2-diol - Cyclic ketone - Secondary alcohol - Ketone - Polyol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Organooxygen compound - Alcohol - 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