Compound Identification
SMILES
CCC1=CC(C[C@H](O)\C=C\[C@H]2CSC(=O)N2CCSCCCC(O)=O)=CC=C1
InChIKey
InChIKey=MYRBEESOULJTOW-WARJXXDVSA-N
Formula
C21H29NO4S2
Mass
423.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
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Subclass
Fatty acids and conjugates
- Level 5 Thia fatty acids
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Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Thia fatty acids
Alternative Parents
Hydroxy fatty acids Benzene and substituted derivatives Thiazolidines Thiocarbamic acid derivatives Secondary alcohols Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydroxy fatty acid - Thia fatty acid - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Secondary alcohol - Thiocarbamic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Dialkylthioether - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.
External Descriptors
Not available