Compound Identification
SMILES
CCCCC(CC(O)=O)SC1=CC=CC=C1
InChIKey
InChIKey=HNQDVNGANOYNDY-UHFFFAOYSA-N
Formula
C13H18O2S
Mass
238.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Medium-chain 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
Medium-chain fatty acids
Alternative Parents
Thiophenol ethers Thia fatty acids Methyl-branched fatty acids Alkylarylthioethers Benzene and substituted derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl thioether - Thiophenol ether - Medium-chain fatty acid - Branched fatty acid - Thia fatty acid - Alkylarylthioether - Methyl-branched fatty acid - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors
Not available