Compound Identification
SMILES
COC(=O)CCC(C)C1CCC2C3C(CC(O)C12C)C1(C)CCC(O)CC1CC3=O
InChIKey
InChIKey=BCPZDSVCYKERMU-UHFFFAOYSA-N
Formula
C25H40O5
Mass
420.59
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
Dihydroxy bile acids, alcohols and derivatives
Alternative Parents
7-oxosteroids 3-hydroxysteroids 12-hydroxysteroids Fatty acid methyl esters Methyl esters Secondary alcohols Ketones Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Dihydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 7-oxosteroid - Oxosteroid - 12-hydroxysteroid - Hydroxysteroid - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Cyclic alcohol - Methyl ester - Carboxylic acid ester - Secondary alcohol - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
External Descriptors
Not available