Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCC(=O)NC1=NN=C(S1)S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey

InChIKey=PPVXMKZCXKRWAJ-NIGPSGFCSA-N

Formula

C26H42N4O5S2

Mass

554.77

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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

Aromatic heteropolycyclic compounds

Substituents

Dihydroxy bile acid, alcohol, or derivatives - 3-hydroxysteroid - Hydroxysteroid - 3-alpha-hydroxysteroid - 7-hydroxysteroid - 1,3,4-thiadiazole-2-sulfonamide - N-arylamide - Fatty acyl - Fatty amide - Organosulfonic acid amide - Azole - Cyclic alcohol - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiadiazole - Aminosulfonyl compound - Heteroaromatic compound - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Alcohol - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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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