Compound Identification
SMILES
C[C@H](CCC(=C)[C@H](C)CO)[C@H]1CC(=O)C2=C3C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=ZQHSDLDNYVKIDE-OJTWWPIFSA-N
Formula
C28H44O5
Mass
460.655
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
Ergosterols and derivatives Oxosteroids 6-hydroxysteroids 3-beta-hydroxysteroids Fatty alcohols Secondary alcohols Ketones Cyclic alcohols and derivatives Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergosterol-skeleton - Ergostane-skeleton - Tetrahydroxy bile acid, alcohol, or derivatives - 26-hydroxysteroid - 3-hydroxysteroid - 4-hydroxysteroid - 6-hydroxysteroid - 3-beta-hydroxysteroid - Hydroxysteroid - 15-oxosteroid - Oxosteroid - Fatty alcohol - Fatty acyl - Cyclic alcohol - Ketone - Secondary alcohol - Polyol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - 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