Compound Identification
SMILES
OC(=O)CCC1=C(N\C(S1)=C/C1=NC(=O)CS1)C1=C(Br)C=CS1
InChIKey
InChIKey=AZBAQHIWXAHEFA-VZUCSPMQSA-N
Formula
C14H11BrN2O3S3
Mass
431.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
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Subclass
Fatty acids and conjugates
- Level 5 Thia 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
Thia fatty acids
Alternative Parents
Aryl bromides Thiophenes Thiazolines Heteroaromatic compounds Thioenol ethers Ketene acetals N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Enamines Monocarboxylic acids and derivatives Organobromides Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thia fatty acid - Aryl bromide - Aryl halide - Heteroaromatic compound - Meta-thiazoline - Thiophene - Ketene acetal or derivatives - Thioenolether - N-acylimine - Carboxylic acid derivative - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic oxygen compound - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.
External Descriptors
Not available