Compound Identification
SMILES
CC\C(O)=C1/[C@H]2[C@]34OC5(C)O[C@@]3([C@H](O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)c2ccoc2)[C@]2(COC(C)=O)[C@@H](CC(=O)OC)[C@]3(C)C[C@]2(O5)[C@](OC(C)=O)([C@H]3OC(C)=O)[C@H]4OC1=O
InChIKey
InChIKey=IGWPCGRXNDCOOF-CFJTUZOHSA-N
Formula
C42H50O20
Mass
874.842
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 Methyl esters 1,3-dioxolanes Heteroaromatic compounds Furans Enoate esters Secondary alcohols Cyclic alcohols and derivatives 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 - Cyclic alcohol - Heteroaromatic compound - Vinylogous acid - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Lactone - Orthocarboxylic acid derivative - Carboxylic acid ester - Secondary alcohol - Enol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alcohol - 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