Structure Information
Structure

Compound Identification

SMILES

CCCCCCCC\C=C/CCCCCCCC(=O)OCC(=C)C(OC(=O)CCCCCCC\C=C/CCCCCCCC)C#N

InChIKey

InChIKey=XGMYKLVNSJNGSZ-AUYXYSRISA-N

Formula

C41H71NO4

Mass

642.022

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acid esters

Intermediate Tree Nodes

Cyanolipids

Direct Parent

Type 1 cyanolipids

Alternative Parents

Dicarboxylic acids and derivatives Carboxylic acid esters Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aliphatic acyclic compounds

Substituents

Cyanolipid type 1 skeleton - Dicarboxylic acid or derivatives - Carboxylic acid ester - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as type 1 cyanolipids. These are diesters of 1-cyano-2-hydroxymethylprop-2-en-1-ol.

External Descriptors

CHEBI:34057 : nitrile - fatty acid ester
LIPIDMAPS (LMFA07030001) : Cyano esters
KEGG (C13845) : Cyano esters

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