Compound Identification
SMILES
O=[Mo+4].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=IHRHKHANGAHFPM-BURDSJQCSA-F
Formula
C20H20MoN10O13P2S4
Mass
894.58
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
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Subclass
Pterins and derivatives
- Level 5 Molybdopterins
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Subclass
Pterins and derivatives
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Class
Pteridines and derivatives
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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 Primary aromatic amines Alkyl phosphates Vinylogous amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic transition metal salts Organosulfur compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Organic cations
Molecular Framework
Not available
Substituents
Molybdopterin - Pyranopterin - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Organic phosphoric acid derivative - Phosphoric acid ester - Primary aromatic amine - Pyran - Pyrimidine - Alkyl phosphate - Heteroaromatic compound - Vinylogous amide - Oxacycle - Azacycle - Organic transition metal salt - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic salt - 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