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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
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Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
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
Fatty acid esters Hydropyrimidines 1,3-dicarbonyl compounds Pyrrolidines Ketones Guanidines Carboxylic acid esters Monocarboxylic acids and derivatives Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines Organic cations
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