Structure Information
Structure

Compound Identification

SMILES

NC1=NC2=C(N[C@H]3[C@H](N2)O[C@@H](COP([O-])([O-])=O)C([S-])=C3S)C(=O)N1

InChIKey

InChIKey=HPEUEJRPDGMIMY-JJVZEJPGSA-K

Formula

C10H11N5O6PS2

Mass

392.32

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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 - Secondary aliphatic/aromatic amine - Pyrimidone - Aminopyrimidine - Imidolactam - Alkyl phosphate - Pyrimidine - Pyran - Phosphoric acid ester - Organic phosphoric acid derivative - Heteroaromatic compound - Vinylogous amide - Lactam - Oxacycle - Azacycle - Thioenol - Secondary amine - Alkylthiol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - 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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