Compound Identification
SMILES
CCCCC\C=C/C[C@@]1(O)[C@@H]2O[C@]2(Cl)C(=O)\C1=C\C=C/CCCC(=O)OC
InChIKey
InChIKey=VQTGQBDTRZNQSB-ZKVKOFCJSA-N
Formula
C21H29ClO5
Mass
396.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Eicosanoids
- Level 5 Clavulones and derivatives
-
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
Not available
Direct Parent
Clavulones and derivatives
Alternative Parents
Fatty acid methyl esters Oxanes Tertiary alcohols Methyl esters Alpha-chloroketones Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Clavulone - Fatty acid ester - Fatty acid methyl ester - Oxane - Alpha-chloroketone - Alpha-haloketone - Cyclic alcohol - Tertiary alcohol - Methyl ester - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Dialkyl ether - Oxirane - Ether - Organooxygen compound - Alcohol - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as clavulones and derivatives. These are ester derivatives of prostanoids.
External Descriptors
LIPIDMAPS (LMFA03120012) : Clavulones and derivatives