Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C#N
InChIKey
InChIKey=FCYFQIGAEOSKQN-UHFFFAOYSA-N
Formula
C23H27N5O7
Mass
485.497
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Tricarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tricarboxylic acids and derivatives
Alternative Parents
Phenylpropanes Alpha hydroxy acids and derivatives Triazoles Tertiary alcohols Heteroaromatic compounds Nitriles Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Phenylpropane - Tricarboxylic acid or derivatives - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Azole - Heteroaromatic compound - Tertiary alcohol - 1,2,4-triazole - Carboxylic acid - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
External Descriptors
Not available