Compound Identification
SMILES
CC(C)C(=O)OC(c1ccoc1)C1(C)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C23OC4(C)OC22C(OC(=O)C(C12)=C(O)C(C)C)C1(OC(C)=O)C(OC(C)=O)C2(C)CC1(O4)C31COC(=O)CC21
InChIKey
InChIKey=QQUACRGNLNSQFI-UHFFFAOYSA-N
Formula
C48H60O19
Mass
940.989
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
Diterpene lactones Diterpenoids Ortho esters 1,3-dioxepanes Carboxylic acid orthoesters Delta valerolactones Oxanes 1,3-dioxanes Vinylogous acids 1,3-dioxolanes Heteroaromatic compounds Furans Enoate esters Oxacyclic compounds Enols Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Prostaglandin skeleton - Diterpene lactone - Diterpenoid - 1,3-dioxepane - Carboxylic acid orthoester - Delta valerolactone - Dioxepane - Delta_valerolactone - Ortho ester - Meta-dioxane - Oxane - Meta-dioxolane - Heteroaromatic compound - Vinylogous acid - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Orthocarboxylic acid derivative - Enol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic 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