Structure Information
Structure

Compound Identification

SMILES

C[C@H](CCC(=O)NCCN(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C)OOC(C)(C)OO5)OC(C)=O

InChIKey

InChIKey=HQRKGXIOGJQPQN-UXXCAZHGSA-N

Formula

C35H58N2O9

Mass

650.854

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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 heteropolycyclic compounds

Substituents

Bile acid, alcohol, or derivatives - Steroid ester - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Dialkyl peroxide - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Aliphatic heteropolycyclic 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

Not available

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