Compound Identification
SMILES
CCOC(=O)C=CSCCCC(O)=O
InChIKey
InChIKey=SFIHPVYPDBISGV-UHFFFAOYSA-N
Formula
C9H14O4S
Mass
218.27
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
Vinylogous thioesters Dicarboxylic acids and derivatives Enoate esters Acrylic acids and derivatives Thioenol ethers Sulfenyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Thia fatty acid - Dicarboxylic acid or derivatives - Vinylogous thioester - Acrylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Thioenolether - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Carbonyl group - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aliphatic acyclic 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