Compound Identification
SMILES
CC[C@@H](C)OC(=O)[C@H](CCCCCBr)C(O)=O
InChIKey
InChIKey=SDKKSZIRGNFOAO-NXEZZACHSA-N
Formula
C12H21BrO4
Mass
309.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Medium-chain 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
Medium-chain fatty acids
Alternative Parents
Halogenated fatty acids Fatty acid esters Branched fatty acids Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain fatty acid - Branched fatty acid - Fatty acid ester - Halogenated fatty acid - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Alkyl bromide - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors
Not available