Structure Information
Structure

Compound Identification

SMILES

CCSC(=O)C(C)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC3CCCCO3)[C@]12C)OC1CCCCO1)OC1CCCCO1

InChIKey

InChIKey=ZXCGQXXOJNMFEH-LPXCBGRUSA-N

Formula

C44H72O8S

Mass

761.11

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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

24-oxosteroid - Bile acid, alcohol, or derivatives - Oxosteroid - Fatty acyl thioester - Oxane - 1,3-dicarbonyl compound - Ketone - Thiocarboxylic acid ester - Carbothioic s-ester - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Sulfenyl compound - Acetal - Aldehyde - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - 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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