Compound Identification
SMILES
COC(=O)CC(CSC(C)=O)C(=O)[N+]1(CCC[C@H]1C)C(=O)OC(C)(C)C
InChIKey
InChIKey=XUFACRDQWVOCCG-RMQJPMRHSA-N
Formula
C18H30NO6S
Mass
388.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
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Subclass
Pyrrolidine carboxylic acids and derivatives
- Level 5 Pyrrolidine carboxylic acids
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Subclass
Pyrrolidine carboxylic acids and derivatives
-
Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidine carboxylic acids
Alternative Parents
N-acylpyrrolidines Fatty acid methyl esters Quaternary ammonium salts Methyl esters Thioesters Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
N-acylpyrrolidine - Pyrrolidine carboxylic acid - Fatty acid ester - Fatty acid methyl ester - Fatty acyl - Quaternary ammonium salt - Methyl ester - Carboxylic acid ester - Thiocarboxylic acid ester - Carbothioic s-ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available