Compound Identification
SMILES
OC(=O)OCC(=O)C=C(Br)C(O)=O
InChIKey
InChIKey=YAQYXLYCFVROTJ-UHFFFAOYSA-N
Formula
C6H5BrO6
Mass
253.004
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
Short-chain keto acids and derivatives Unsaturated fatty acids Vinylogous halides Enones Carbonic acid monoesters Alpha-halocarboxylic acids Acryloyl compounds Ketones Vinyl bromides Monocarboxylic acids and derivatives Carboxylic acids Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Halogenated fatty acid - Short-chain keto acid - Unsaturated fatty acid - Acryloyl-group - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carbonic acid monoester - Enone - Vinylogous halide - Alpha,beta-unsaturated ketone - Ketone - Carbonic acid derivative - Bromoalkene - Carboxylic acid derivative - Carboxylic acid - Haloalkene - Vinyl halide - Vinyl bromide - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organohalogen compound - Organobromide - 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