Compound Identification
SMILES
CCCC(NC(=O)C1=CC=C(NCC2CNC3N(C(N)NC(=O)C3=N2)C(O)=O)C=C1)C(O)=O
InChIKey
InChIKey=GOYUDISEXWASDO-UHFFFAOYSA-N
Formula
C20H27N7O6
Mass
461.479
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 Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Secondary alkylarylamines Diazinanes Amino acids Tertiary amines Secondary carboxylic acid amides Carbamic acids Orthocarboxylic acid derivatives Ketimines Lactams Ortho amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Primary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides
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 - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Amino acid or derivatives - Amino acid - Carbamic acid - Carbamic acid derivative - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Ketimine - Lactam - Ortho amide - Orthocarboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Amine - Imine - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Primary amine - Organonitrogen compound - Organooxygen 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