Structure Information
Structure

Compound Identification

SMILES

[SH-].O=[Mo]=O.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=UTMCXYGRWBNAHK-ZLGQENBPSA-K

Formula

C10H13MoN5O8PS3

Mass

554.35

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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

Aromatic heteropolycyclic compounds

Substituents

Molybdopterin - Pyranopterin - Aminopyrimidine - Pyrimidone - Monoalkyl phosphate - Secondary aliphatic/aromatic amine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyran - Pyrimidine - Alkyl phosphate - Heteroaromatic compound - Vinylogous amide - Oxacycle - Azacycle - Organic transition metal salt - Secondary amine - Amine - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - 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

Not available

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