Compound Identification
SMILES
[OH-].[OH-].[Mg++].[W].NC1=NC(=O)C2=C(N[C@H]3O[C@@H](COP(O)([O-])=O)C(S)=C(S)[C@H]3N2)N1.NC1=NC(=O)C2=C(N[C@H]3O[C@@H](COP(O)([O-])=O)C(S)=C([S-])[C@H]3N2)N1
InChIKey
InChIKey=GJDRNBAJOUQWAI-MEIWGLHLSA-I
Formula
C20H27MgN10O14P2S4W
Mass
1029.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pteridines and derivatives
-
Subclass
Pterins and derivatives
- Level 5 Molybdopterins
-
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
Not available
Direct Parent
Molybdopterins
Alternative Parents
Pyranopterins and derivatives Aminopyrimidines and derivatives Secondary alkylarylamines Pyrimidones Alkyl phosphates Pyrans Vinylogous amides Heteroaromatic compounds Organic transition metal salts Alkylthiols Azacyclic compounds Thioenols Oxacyclic compounds Organooxygen compounds Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives Primary amines Organic cations
Molecular Framework
Not available
Substituents
Molybdopterin - Pyranopterin - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyran - Pyrimidine - Alkyl phosphate - Heteroaromatic compound - Vinylogous amide - Thioenol - Secondary amine - Alkylthiol - Organic transition metal salt - Azacycle - Oxacycle - Organic salt - Organic nitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic hydroxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as molybdopterins. These are cofactors or analogs thereof, with a structure based on a furan ring fused to a pterin. In addition, the pyran ring features two thiolates, which serve as ligands in molybdo- and tungstoenzymes. In some cases, the alkyl phosphate group is replaced by an alkyl diphosphate nucleotide.
External Descriptors
Not available