Compound Identification
SMILES
C[C@H](CC(=O)C(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1CC3=O
InChIKey
InChIKey=YRDDZRGJIYRFQD-OWRWMAFVSA-N
Formula
C24H34O5
Mass
402.531
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
7-oxosteroids 3-oxo-5-beta-steroids Alpha-keto acids and derivatives Alpha-hydroxy ketones Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
23-oxosteroid - Bile acid, alcohol, or derivatives - 3-oxosteroid - 3-oxo-5-beta-steroid - 7-oxosteroid - Oxosteroid - Alpha-keto acid - Keto acid - Alpha-hydroxy ketone - Cyclic ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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
LIPIDMAPS (LMST04010345) : C24 bile acids, alcohols, and derivatives