Compound Identification
SMILES
CCCCCC(S)(C(C)=O)C([O-])=O
InChIKey
InChIKey=BZUAUEKZXXZJSK-UHFFFAOYSA-M
Formula
C9H15O3S
Mass
203.28
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 Methyl-branched fatty acids Beta-keto acids and derivatives alpha-Mercaptocarboxylic acids Ketones Carboxylic acid salts Monocarboxylic acids and derivatives Alkylthiols Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain keto acid - Beta-keto acid - Branched fatty acid - Methyl-branched fatty acid - Thia fatty acid - Fatty acyl - 2-mercaptocarboxylic acid - Carboxylic acid salt - Ketone - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organosulfur compound - Organic oxide - Organooxygen 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
Not available