Compound Identification
SMILES
OC(=O)C(F)(F)F.NC1=NC2=NC=C(CNC3=C(F)C=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)N=C2C(N)=N1
InChIKey
InChIKey=YWGTVZUAUGVIJQ-UHFFFAOYSA-N
Formula
C21H20F4N8O7
Mass
572.434
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pteridines and derivatives
-
Subclass
Pterins and derivatives
-
Level 5
Pteroic acids and derivatives
-
Level 6
Folic acids and derivatives
- Level 7 Folic acids
-
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 3-halobenzoic acids and derivatives Aminobenzamides Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Aminopyrimidines and derivatives Fluorobenzenes Secondary alkylarylamines Aryl fluorides Imidolactams Dicarboxylic acids and derivatives Pyrazines Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Carbonyl compounds
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 - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenylalkylamine - Benzoyl - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aminopyrimidine - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Imidolactam - Benzenoid - Pyrimidine - Pyrazine - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Amine - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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