Compound Identification
SMILES
COC(=O)C(=O)C(C)C(=O)C(C)C1=NC2=NN=C(N)N2C1=O
InChIKey
InChIKey=VOHGHBOCHMDPRF-UHFFFAOYSA-N
Formula
C12H13N5O5
Mass
307.266
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Gamma-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
Gamma-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Gamma-keto acids and derivatives
Alternative Parents
Beta-diketones Fatty acid esters Alpha-keto acids and derivatives Triazoles Heteroaromatic compounds Methyl esters Amino acids and derivatives Ketimines Ketones Lactams Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Gamma-keto acid - Fatty acid ester - 1,3-diketone - Alpha-keto acid - 1,3-dicarbonyl compound - Fatty acyl - Heteroaromatic compound - Azole - Methyl ester - 1,2,4-triazole - Amino acid or derivatives - Carboxylic acid ester - Ketimine - Ketone - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Imine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Primary amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
External Descriptors
Not available