Structure Information
Structure

Compound Identification

SMILES

CC(C)C(N)C(=O)NCC(C)(C)SCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@]23CCC(=O)[C@H]2[C@@]1(C)C(C)CC3

InChIKey

InChIKey=LLYYNOVSVPBRGV-NFQTWZMKSA-N

Formula

C31H52N2O5S

Mass

564.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Diterpenoids

Intermediate Tree Nodes

Mutilane diterpenoids - Mutilin derivatives

Direct Parent

Pleuromutilin and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Pleuromutilin - Valine or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Fatty acyl - Fatty amide - N-acyl-amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Dialkylthioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as pleuromutilin and derivatives. These are mutilins with a hydroxyacetate derivative attached to the C8 carbon atom of the cyclopenta[8]annulene moiety.

External Descriptors

CHEBI:29705 : cyclic ketone - carboxylic ester - carbotricyclic compound

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