Compound Identification
SMILES
COC(=O)CCC(C)C1CCC2C3C(CC(C(O)=O)C12C)C1(C)CCC(CC1CC3=O)C(O)=O
InChIKey
InChIKey=TYJGMEXGUFXJFA-UHFFFAOYSA-N
Formula
C27H40O7
Mass
476.61
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-carboxy steroids 7-oxosteroids Tricarboxylic acids and derivatives Fatty acid methyl esters Methyl esters Ketones Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Steroid acid - 3-carboxy steroid - Oxosteroid - 7-oxosteroid - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Methyl ester - Ketone - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Aliphatic homopolycyclic 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