Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=VXWYZDSFMHCNQA-FEUVUQTJSA-M

Formula

C26H42NO7S

Mass

512.68

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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 - 7-oxosteroid - 3-alpha-hydroxysteroid - Oxosteroid - Hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic alcohol - Secondary alcohol - Ketone - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Organic anion - 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

Not available

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