Compound Identification
SMILES
NC1=NC2=NC=C(CN(CCC3=CC=CC=C3)C3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)N=C2C(N)=N1
InChIKey
InChIKey=HEDOSKNOYVOYRZ-UHFFFAOYSA-N
Formula
C27H28N8O5
Mass
544.572
Taxonomic Classification
Taxonomy Tree
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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 Phenethylamines Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines Dicarboxylic acids and derivatives Imidolactams Pyrazines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
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 - Phenethylamine - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Imidolactam - Benzenoid - Pyrimidine - Pyrazine - Heteroaromatic compound - Tertiary amine - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Azacycle - Carboxylic acid derivative - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organonitrogen compound - Organic oxygen compound - Carbonyl group - 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