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)CC[C@@H](O)C[C@H]1[C@@H](O)C3=O

InChIKey

InChIKey=NYMYNCFPAHUJJK-XBTSAHOMSA-N

Formula

C24H38O5

Mass

406.563

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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

Hydroxy bile acids, alcohols and derivatives

Direct Parent

Dihydroxy bile acids, alcohols and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Dihydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - 7-oxosteroid - 3-alpha-hydroxysteroid - 6-hydroxysteroid - Oxosteroid - Hydroxysteroid - Cyclic alcohol - Secondary alcohol - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.

External Descriptors

LIPIDMAPS (LMST04010173) : C24 bile acids, alcohols, and derivatives

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