Compound Identification
SMILES
CCCC(NC(=O)C1=CC=C(NCC2=CN=C3N(C(N)NC(=O)C3=N2)C(O)=O)C=C1)C(O)=O
InChIKey
InChIKey=COWAFRPFOZSILS-UHFFFAOYSA-N
Formula
C20H23N7O6
Mass
457.447
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 Aminobenzamides 2-heteroaryl carboxamides Aniline and substituted anilines Phenylalkylamines Benzoyl derivatives Secondary alkylarylamines Pyrazines Imidolactams Vinylogous amides Heteroaromatic compounds Tertiary amines Amino acids Secondary carboxylic acid amides Orthocarboxylic acid derivatives Carbamic acids Ortho amides Lactams Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pterin-1-carboxylate - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Aralkylamine - Secondary aliphatic/aromatic amine - Pyrazine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Tertiary amine - Carbamic acid - Carbamic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Lactam - Orthocarboxylic acid derivative - Ortho amide - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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