Compound Identification
SMILES
COC(=O)CCC(C)C1CCC2C3C(CC4CC(=O)CCC4(C)C3CCC12C)OC1CCCCO1
InChIKey
InChIKey=BAGKWQTVADMQID-UHFFFAOYSA-N
Formula
C30H48O5
Mass
488.709
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
Bile acids, alcohols and derivatives
Alternative Parents
3-oxosteroids Fatty acid methyl esters Oxanes Methyl esters Cyclic ketones Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - 3-oxosteroid - Oxosteroid - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Oxane - Methyl ester - Carboxylic acid ester - Ketone - Cyclic ketone - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.
External Descriptors
Not available