Compound Identification
SMILES
COC(=O)CCCC[C@@H](Br)[C@@H]1OC(OC(C)(C)C)=[N+]2[C@H]1CS[C@@H]2C1=CC=CC=C1
InChIKey
InChIKey=GSRMHWKVIGBJBA-LCLWPZTBSA-N
Formula
C22H31BrNO4S
Mass
485.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
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Subclass
Fatty acid esters
- Level 5 Fatty acid methyl esters
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Subclass
Fatty acid esters
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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 Thiazolidines Oxazolines Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Fatty acid methyl ester - Monocyclic benzene moiety - Benzenoid - Oxazoline - Thiazolidine - Methyl ester - Carboxylic acid ester - Dialkylthioether - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Alkyl halide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Alkyl bromide - Hydrocarbon derivative - Carbonyl group - Organic cation - Aromatic heteropolycyclic 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