Structure Information
Structure

Compound Identification

SMILES

[Ca++].NC1=NC(=O)C2=C(NCC(CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC([O-])=O)C(O)=O)=N2)N1

InChIKey

InChIKey=XSGQTAVPYMIIJQ-UHFFFAOYSA-M

Formula

C20H20CaN7O7

Mass

510.499

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pteridines and derivatives

Subclass

Pterins and derivatives

Intermediate Tree Nodes

Dihydropteroic acids and derivatives

Direct Parent

Dihydrofolic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dihydrofolic acid or derivatives - Glutamic acid or derivatives - Hippuric acid - Acylaminobenzoic acid or derivatives - Hippuric acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Anilide - Benzoyl - Aminopyrimidine - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Dicarboxylic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Amino acid - Ketimine - Amino acid or derivatives - Organic calcium salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organopnictogen compound - Organic oxygen compound - Organic salt - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Imine - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dihydrofolic acids and derivatives. These are heterocyclic compounds based on the 5,6-dihydropteroic acid/7,8-dihydropteroic acid skeleton conjugated with one or more L-glutamic acid units (or derivative thereof).

External Descriptors

Not available

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