Structure Information
Structure

Compound Identification

SMILES

CC\C(O)=C1/[C@H]2[C@]34OC5(C)O[C@@]3([C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@]2(C)[C@@H](OC(C)=O)c2ccoc2)[C@]23COC(=O)C[C@H]2[C@]2(C)C[C@]3(O5)[C@](O)([C@H]2OC(C)=O)[C@H]4OC1=O

InChIKey

InChIKey=BCCQXZBLFBDHTR-VPZILZGDSA-N

Formula

C43H52O18

Mass

856.871

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Prostaglandin skeleton - Diterpene lactone - Diterpenoid - Hexacarboxylic acid or derivatives - 1,3-dioxepane - Carboxylic acid orthoester - Delta valerolactone - Dioxepane - Delta_valerolactone - Ortho ester - Oxane - Meta-dioxane - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Furan - Cyclic alcohol - Meta-dioxolane - Orthocarboxylic acid derivative - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Enol - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Alcohol - 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

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