Compound Identification
SMILES
COC(=O)CCCCSCC1=CC=CC=C1
InChIKey
InChIKey=HUKCUSLGEJHKAS-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 acid esters
- Level 5 Fatty acid methyl esters
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Subclass
Fatty acid esters
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acid esters
Intermediate Tree Nodes
Not available
Direct Parent
Fatty acid methyl esters
Alternative Parents
Benzene and substituted derivatives Methyl esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Fatty acid methyl ester - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Dialkylthioether - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
External Descriptors
Not available