Compound Identification
SMILES
CSCCCCCC(=O)C([O-])=O
InChIKey
InChIKey=TWAIOPPFLZEXCO-UHFFFAOYSA-M
Formula
C8H13O3S
Mass
189.25
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 Alpha-keto acids and derivatives Ketones Carboxylic acid salts Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain keto acid - Thia fatty acid - Alpha-keto acid - Fatty acyl - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic anion - 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
META CYC (CPDQT-28) : a small molecule