Structure Information
Structure

Compound Identification

SMILES

C[C@@H](CCCCC[C@H]1C[C@H]2CC[C@H]3C[C@@H](C)NC(N1)=[N+]23)OC(=O)CC(C)=O

InChIKey

InChIKey=PHRQNMKILBKKIK-VINWQNLFSA-O

Formula

C21H36N3O3

Mass

378.536

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Keto acids and derivatives

Subclass

Beta-keto acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Beta-keto acids and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Beta-keto acid - Fatty acid ester - Hydropyrimidine - Fatty acyl - 1,4,5,6-tetrahydropyrimidine - 1,3-dicarbonyl compound - Pyrrolidine - Carboxylic acid ester - Guanidine - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboximidamide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic cation - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.

External Descriptors

Not available

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