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Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@]1(C)[C@@H](CC(=O)CC1=O)CC3=O

InChIKey

InChIKey=VPDKHLKMMUNLNL-QKIUUDMISA-N

Formula

C24H34O5

Mass

402.531

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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 - 1-oxosteroid - Oxosteroid - 7-oxosteroid - 3-oxo-5-beta-steroid - 1,3-diketone - 1,3-dicarbonyl compound - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxide - 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

LIPIDMAPS (LMST04010259) : C24 bile acids, alcohols, and derivatives

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