Compound Identification
SMILES
CC1(SCCC(CCCCC(O)=O)S1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=BKXHEVFPVMHPBO-UHFFFAOYSA-N
Formula
C16H21BrO2S2
Mass
389.37
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
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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
Medium-chain fatty acids
Alternative Parents
Thia fatty acids Heterocyclic fatty acids Halogenated fatty acids Dithioketals Bromobenzenes Dithianes Aryl bromides Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Medium-chain fatty acid - Bromobenzene - Thia fatty acid - Dithioketal - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,3-dithiane - Benzenoid - Thioacetal - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aromatic heteromonocyclic 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