Compound Identification
SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC1=NC(=O)C2=NC(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CN=C2N1
InChIKey
InChIKey=SZOBLWWJPHGBMM-QFDUPFEDSA-N
Formula
C40H49N7O8
Mass
755.873
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
-
Level 5
Pteroic acids and derivatives
-
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
Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 3-oxo delta-4-steroids Delta-4-steroids Glutamic acid and derivatives Hippuric acids N-acyl-alpha amino acids Aminobenzamides Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Pyrimidones Cyclohexenones Aminopyrimidines and derivatives Secondary alkylarylamines Pyrazines Dicarboxylic acids and derivatives Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Folic acid - Progestogin-skeleton - 20-oxosteroid - Pregnane-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Steroid - Delta-4-steroid - Glutamic acid or derivatives - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Aminobenzamide - Aminobenzoic acid or derivatives - Alpha-amino acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Pyrimidone - Cyclohexenone - Aralkylamine - Aminopyrimidine - Pyrazine - Benzenoid - Dicarboxylic acid or derivatives - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Secondary carboxylic acid amide - Amino acid or derivatives - Ketone - Amino acid - Carboxamide group - Azacycle - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - 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