Compound Identification
SMILES
NC1=NC2=C(NC3C(N2)OC2COP([O-])(=O)O[Mg]OP([O-])(=O)OCC4OC5NC6=C(NC5C5=C4S[W]4(SC2=C3S4)S5)C(=O)NC(N)=N6)C(=O)N1
InChIKey
InChIKey=TXTOFHXWJBZWPO-UHFFFAOYSA-F
Formula
C20H20MgN10O12P2S4W
Mass
990.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pteridines and derivatives
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Subclass
Pterins and derivatives
- Level 5 Molybdopterins
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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 Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Pyrans Imidolactams Organic phosphoric acids and derivatives Vinylogous amides Heteroaromatic compounds Lactams Metalloheterocyclic compounds Oxacyclic compounds Azacyclic compounds Organic transition metal salts Organooxygen compounds Organic oxides Primary amines Organopnictogen compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Molybdopterin - Pyranopterin - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Organic phosphoric acid derivative - Pyran - Pyrimidine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Lactam - Metalloheterocycle - Oxacycle - Azacycle - Organic metal salt - Organic transition metal salt - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organopnictogen compound - Organic salt - Organic anion - 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
CHEBI:30402 : W-molybdopterin cofactor