Compound Identification
SMILES
C[C@@H](OC1=C(C)[C@@H](Cl)CC=C1)C(=O)CC(O)=O
InChIKey
InChIKey=YRKYKIATXBXPFL-BDAKNGLRSA-N
Formula
C12H15ClO4
Mass
258.7
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 Methyl-branched fatty acids Beta-keto acids and derivatives Beta-hydroxy ketones 1,3-dicarbonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Beta-keto acid - Branched fatty acid - Halogenated fatty acid - Short-chain keto acid - Methyl-branched fatty acid - Beta-hydroxy ketone - 1,3-dicarbonyl compound - Keto acid - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl chloride - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic 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