Compound Identification
SMILES
CSCC(CC(O)=O)N1CSC(=S)N(CC2=CC=CO2)C1
InChIKey
InChIKey=NIKYQGWIYJXISV-UHFFFAOYSA-N
Formula
C13H18N2O3S3
Mass
346.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
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
Thiadiazinanes Cyclic dithiocarbamic acid esters Furans Heteroaromatic compounds Azacyclic compounds Carboxylic acids Thiohemiaminal derivatives Dialkylthioethers Sulfenyl compounds Monocarboxylic acids and derivatives Oxacyclic compounds Amines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thia fatty acid - Thiadiazinane - Furan - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Hemithioaminal - Sulfenyl compound - Dialkylthioether - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Amine - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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