Compound Identification
SMILES
CC(S\C(=C/CCCO)C(=O)C(O)=O)\C=C\N
InChIKey
InChIKey=PDYMZUICDIERKB-DTTNRJQVSA-N
Formula
C11H17NO4S
Mass
259.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Medium-chain keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain keto acids and derivatives
Alternative Parents
Thia fatty acids Hydroxy fatty acids Unsaturated fatty acids Alpha-branched alpha,beta-unsaturated ketones Alpha-keto acids and derivatives Acryloyl compounds Alpha-hydroxy ketones Enones Thioenol ethers Amino acids Sulfenyl compounds Allylamines Monocarboxylic acids and derivatives Enamines Carboxylic acids Hydrocarbon derivatives Monoalkylamines Organic oxides Primary alcohols
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain keto acid - Hydroxy fatty acid - Thia fatty acid - Alpha-keto acid - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Unsaturated fatty acid - Acryloyl-group - Alpha-hydroxy ketone - Enone - Alpha,beta-unsaturated ketone - Amino acid or derivatives - Amino acid - Thioenolether - Ketone - Allylamine - Carboxylic acid derivative - Carboxylic acid - Enamine - Sulfenyl compound - Monocarboxylic acid or derivatives - Primary amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Primary alcohol - Primary aliphatic amine - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available