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
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
Dihydropteroic acids and derivatives
Direct Parent
Dihydrofolic acids and derivatives
Alternative Parents
Glutamic acid and derivatives Hippuric acids N-acyl-alpha amino acids Acylaminobenzoic acid and derivatives Anilides Benzoyl derivatives Aminopyrimidines and derivatives Pyrimidones Dicarboxylic acids and derivatives Heteroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Amino acids Carboxylic acid salts Ketimines Secondary carboxylic acid amides Carboxylic acids Organic calcium salts Azacyclic compounds Primary amines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organic cations
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