Structure Information
Structure

Compound Identification

SMILES

CC\C=C/C[C@H]1[C@@H](CCCCCCCC(O)=O)CCC1=O

InChIKey

InChIKey=BZXZFDKIRZBJEP-JMTMCXQRSA-N

Formula

C18H30O3

Mass

294.435

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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

Aliphatic homomonocyclic compounds

Substituents

Prostaglandin skeleton - Medium-chain fatty acid - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic 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

LIPIDMAPS (LMFA02010007) : 12-oxophytodienoic acid metabolites

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