Compound Identification
SMILES
CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=C(C=C(C=C1)C(=O)NC(CCC(O)=O)C(O)=O)C(F)(F)F
InChIKey
InChIKey=ZHVNNTSMRZRPNO-UHFFFAOYSA-N
Formula
C21H21F3N8O5
Mass
522.445
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
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Subclass
Pterins and derivatives
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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 N-acyl-alpha amino acids Hippuric acids Trifluoromethylbenzenes Aminobenzamides Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Aminopyrimidines and derivatives Aralkylamines Pyrazines Imidolactams Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azacyclic compounds Carboxylic acids Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Primary amines Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Folic acid - Glutamic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Aminopyrimidine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Imidolactam - Pyrazine - Pyrimidine - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid - Amino acid or derivatives - Tertiary amine - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Azacycle - Amine - Hydrocarbon derivative - Carbonyl group - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - 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