Compound Identification
SMILES
CC1CC2C3CCC(O)(C(=O)COC(C)=O)C3(C)CC(O)C2C2(C)CCC3(CC12O)OCC(C)(C)CO3
InChIKey
InChIKey=ZLQSMGWGWLVEOS-UHFFFAOYSA-N
Formula
C29H46O8
Mass
522.679
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
- Subclass Eicosanoids
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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
Prostaglandins and related compounds
Alternative Parents
Pregnane steroids 20-oxosteroids 11-hydroxysteroids 17-hydroxysteroids Ketals Alpha-acyloxy ketones 1,3-dioxanes Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Prostaglandin skeleton - 20-oxosteroid - Pregnane-skeleton - 5-hydroxysteroid - Hydroxysteroid - Oxosteroid - 11-hydroxysteroid - 17-hydroxysteroid - Steroid - Alpha-acyloxy ketone - Ketal - Meta-dioxane - Alpha-hydroxy ketone - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Acetal - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
External Descriptors
Not available