Structure Information
Structure

Compound Identification

SMILES

CCCNC(=O)CCC(C)C1CCC2C3[C@@H](C[C@@H]4CC5(CC[C@]4(C)C3C[C@H](OC(C)=O)[C@]12C)OOC1(CC[C@@]2(C)[C@H](C[C@@H](OC(C)=O)C3C4CCC(C(C)CCC(=O)NCCC)[C@@]4(C)[C@H](CC23)OC(C)=O)C1)OO5)OC(C)=O

InChIKey

InChIKey=XPLSZLAQWYOLBG-ZHWOOPQRSA-N

Formula

C62H98N2O14

Mass

1095.466

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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 - Tetracarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Dialkyl peroxide - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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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