Compound Identification
SMILES
CCOC(=O)C(Br)=CSCCC(O)=O
InChIKey
InChIKey=SQGIDTXKCPBLPE-UHFFFAOYSA-N
Formula
C8H11BrO4S
Mass
283.14
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Halogenated fatty acids
-
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
Halogenated fatty acids
Alternative Parents
Vinylogous thioesters Dicarboxylic acids and derivatives Enoate esters Alpha-halocarboxylic acid derivatives Thioenol ethers Vinyl bromides Sulfenyl compounds Carboxylic acids Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Halogenated fatty acid - Vinylogous thioester - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Thioenolether - Carboxylic acid derivative - Carboxylic acid - Bromoalkene - Haloalkene - Sulfenyl compound - Vinyl bromide - Vinyl halide - Carbonyl group - Organic oxide - Organohalogen compound - Organobromide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
External Descriptors
Not available