Compound Identification
SMILES
C[C@H](CCC(=C)[C@H](C)CO)[C@H]1[C@@H](O)[C@@H](O)[C@]2(O)[C@]1(C)CCC1[C@@]3(C)CC[C@H](O)CC3[C@@H](O)C[C@@]21O
InChIKey
InChIKey=LQLONRGOAIKLKU-PKHHLWINSA-N
Formula
C28H48O7
Mass
496.685
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydroxy bile acids, alcohols and derivatives
Alternative Parents
Ergosterols and derivatives 6-hydroxysteroids 3-beta-hydroxysteroids 16-beta-hydroxysteroids 14-hydroxysteroids Fatty alcohols Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Polyols Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Hexahydroxy bile acid, alcohol, or derivatives - Ergostane-skeleton - Ergosterol-skeleton - 26-hydroxysteroid - Hydroxy bile acid, alcohol, or derivatives - 3-beta-hydroxysteroid - 16-hydroxysteroid - 16-beta-hydroxysteroid - Hydroxysteroid - 15-hydroxysteroid - 6-hydroxysteroid - 14-hydroxysteroid - 3-hydroxysteroid - Fatty alcohol - Fatty acyl - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Polyol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as hydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing at least hydroxyl group.
External Descriptors
Not available