Compound Identification
SMILES
[H][C@](CCC(O)=O)(CC(O)=O)NC(=O)C1=CC=C(NC[C@@]2([H])CNC3=C(N2C=O)C(O)=NC(=N)N3)C=C1
InChIKey
InChIKey=MPJKWIXIYCLVCU-KBPBESRZSA-N
Formula
C21H25N7O7
Mass
487.473
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pteridines and derivatives
- Subclass Pterins and derivatives
-
Class
Pteridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Pterins and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pterins and derivatives
Alternative Parents
Beta amino acids and derivatives Aminobenzamides Benzamides Aniline and substituted anilines Benzoyl derivatives Medium-chain fatty acids Phenylalkylamines Hydroxypyrimidines Hydroxy fatty acids Heterocyclic fatty acids Secondary alkylarylamines Amino fatty acids Dicarboxylic acids and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pterin - Beta amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Medium-chain fatty acid - Amino fatty acid - Hydroxypyrimidine - Heterocyclic fatty acid - Hydroxy fatty acid - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Pyrimidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Carboxamide group - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.
External Descriptors
Not available