Compound Identification
SMILES
CCCCCC=CC=C1C(CCCCCCC(O)=O)C=C(Cl)C1=O
InChIKey
InChIKey=IOFZRELKDBUSGU-UHFFFAOYSA-N
Formula
C20H29ClO3
Mass
352.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
- Subclass Eicosanoids
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Eicosanoids
Intermediate Tree Nodes
Prostaglandins and related compounds
Direct Parent
Punaglandins and related compounds
Alternative Parents
Long-chain fatty acids Halogenated fatty acids Alpha-chloroketones Cyclic ketones Vinyl chlorides Monocarboxylic acids and derivatives Chloroalkenes Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Punaglandin skeleton - Long-chain fatty acid - Halogenated fatty acid - Alpha-haloketone - Alpha-chloroketone - Ketone - Cyclic ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Vinyl chloride - Vinyl halide - Chloroalkene - Haloalkene - Organohalogen compound - Organochloride - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as punaglandins and related compounds. These are cyclopentadienone and cyclopentenone prostaglandins, which are chlorinated at the endocyclic R-carbon position.
External Descriptors
Not available