Compound Identification
SMILES
C[C@H](CCC(=C)C(C)C(O)=O)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O
InChIKey
InChIKey=TWISSXUWVGIUBP-FNSKOMQISA-N
Formula
C29H42O5
Mass
470.65
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
Monohydroxy bile acids, alcohols and derivatives
Alternative Parents
Ergosterols and derivatives Steroid acids 7-alpha-hydroxysteroids 3-oxo-5-alpha-steroids 11-oxosteroids Medium-chain fatty acids Hydroxy fatty acids Cyclohexenones Unsaturated fatty acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Ergosterol-skeleton - Ergostane-skeleton - Monohydroxy bile acid, alcohol, or derivatives - Steroid acid - 3-oxosteroid - 11-oxosteroid - Oxosteroid - 7-alpha-hydroxysteroid - Hydroxysteroid - 3-oxo-5-alpha-steroid - 7-hydroxysteroid - Medium-chain fatty acid - Cyclohexenone - Hydroxy fatty acid - Unsaturated fatty acid - Fatty acyl - Fatty acid - Cyclic ketone - Ketone - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.
External Descriptors
Not available