Compound Identification
SMILES
[H+].[Fe++].NCC([O-])=O.[O-]S([O-])(=O)=O.NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)=CN=C2N1
InChIKey
InChIKey=TWIIEENJROOKEF-UHFFFAOYSA-L
Formula
C21H24FeN8O12S
Mass
668.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
-
Subclass
Pterins and derivatives
-
Level 5
Pteroic acids and derivatives
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Level 6
Folic acids and derivatives
- Level 7 Folic acids
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Level 6
Folic acids and derivatives
-
Level 5
Pteroic acids 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
Pteroic acids and derivatives - Folic acids and derivatives
Direct Parent
Folic acids
Alternative Parents
Glutamic acid and derivatives Hippuric acids N-acyl-alpha amino acids Aminobenzamides Alpha amino acids Phenylalkylamines Benzoyl derivatives Aniline and substituted anilines Pyrimidones Aminopyrimidines and derivatives Secondary alkylarylamines Pyrazines Dicarboxylic acids and derivatives Organic sulfate salts Heteroaromatic compounds Vinylogous amides Organic sulfuric acids and derivatives Secondary carboxylic acid amides Carboxylic acid salts Amino acids Organic transition metal salts Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic zwitterions
Molecular Framework
Not available
Substituents
Folic acid - Glutamic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid or derivatives - Hippuric acid - Aminobenzoic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Aminobenzamide - Benzoic acid or derivatives - Benzamide - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Aralkylamine - Secondary aliphatic/aromatic amine - Pyrimidone - Aminopyrimidine - Dicarboxylic acid or derivatives - Organic sulfate salt - Monocyclic benzene moiety - Benzenoid - Pyrazine - Pyrimidine - Vinylogous amide - Organic sulfuric acid or derivatives - Heteroaromatic compound - Amino acid - Carboxylic acid salt - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic transition metal salt - Azacycle - Carboxylic acid - Secondary amine - Organic nitrogen compound - Carbonyl group - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as folic acids. These are heterocyclic compounds based on the 4-[(pteridin-6-ylmethyl)amino]benzoic acid skeleton conjugated with one or more L-glutamate units.
External Descriptors
Not available