Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C

InChIKey

InChIKey=MQGZSNQSNBZIKA-FKELYYRSSA-N

Formula

C24H34O5

Mass

402.531

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Bile acid, alcohol, or derivatives - 3-oxosteroid - 6-oxosteroid - 3-oxo-5-alpha-steroid - Oxosteroid - 12-oxosteroid - Ketone - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen 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

LIPIDMAPS (LMST04010425) : C24 bile acids, alcohols, and derivatives

Previous Back Next