Compound Identification
SMILES
CN1[C@@H](CCC1=O)C(=O)NCC1=C(Cl)C(=CC=C1)C(F)(F)F.CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChIKey
InChIKey=MECNOWMHSXCPNL-RFSNLKLESA-N
Formula
C34H36ClF3N10O7
Mass
789.17
Taxonomic Classification
Taxonomy Tree
-
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
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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 Proline and derivatives Alpha amino acid amides Aminobenzamides Trifluoromethylbenzenes Pyrrolidinecarboxamides Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Chlorobenzenes Aralkylamines Aminopyrimidines and derivatives Pyrrolidine-2-ones Pyrazines Dicarboxylic acids and derivatives N-alkylpyrrolidines Aryl chlorides Imidolactams Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Lactams Carboxylic acids Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Carbonyl compounds Primary amines
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 - Proline or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - Chlorobenzene - Aminopyrimidine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Dicarboxylic acid or derivatives - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Pyrazine - Pyrimidine - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Lactam - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Alkyl fluoride - 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