Compound Identification
SMILES
CCCC(NC(=O)C1=CC=C(C=C1)N1CN2C3=C(NC[C@]2(C1)C(O)=O)NC(N)=NC3=O)C(O)=O
InChIKey
InChIKey=SGTXEJSJWWGZSY-KCSFHACMSA-N
Formula
C21H25N7O6
Mass
471.474
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
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Subclass
Pterins and derivatives
- Level 5 Pterin carboxylates
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Subclass
Pterins and derivatives
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Class
Pteridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Pterins and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pterin carboxylates
Alternative Parents
Hippuric acids N-acyl-alpha amino acids Phenylimidazolidines D-alpha-amino acids L-alpha-amino acids Imidazopyrazines Benzoyl derivatives Aniline and substituted anilines Dialkylarylamines Aminopyrimidines and derivatives Pyrimidones Secondary alkylarylamines Dicarboxylic acids and derivatives Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pterin-6-carboxylate - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Phenylimidazolidine - Alpha-amino acid or derivatives - L-alpha-amino acid - D-alpha-amino acid - Benzoic acid or derivatives - Benzamide - Imidazopyrazine - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidone - Benzenoid - Pyrimidine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Imidazolidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pterin carboxylates. These are heterocyclic aromatic compounds containing a pterin moiety, in which one ring is substituted by one or more carboxylic acid groups. Pterin is a heterocyclic compound composed of a pteridine ring system (made up of a pyrazine fused to a pyrimidine), with a keto group and an amino group at the 2- and 4- positions, respectively.
External Descriptors
Not available