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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
-
Subclass
Diterpenoids
-
Level 5
Mutilane diterpenoids
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Level 6
Mutilin derivatives
- Level 7 Pleuromutilin and derivatives
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Level 6
Mutilin derivatives
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Level 5
Mutilane diterpenoids
-
Subclass
Diterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
Valine and derivatives Alpha amino acid amides N-acyl amines Secondary carboxylic acid amides Secondary alcohols Ketones Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
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