Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pteridines and derivatives

Subclass

Pterins and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Molybdopterins

Alternative Parents

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

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