Structure Information
Structure

Compound Identification

SMILES

NC1NC(=O)C2=C(N1)N[C@@H]1O[C@H](COP(O)(O)=O)C([S-])=C([S-])[C@@H]1N2

InChIKey

InChIKey=WOVOXSWXFIURJE-VJTMLDAESA-L

Formula

C10H14N5O6PS2

Mass

395.35

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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

Aliphatic heteropolycyclic compounds

Substituents

Molybdopterin - Pyranopterin - Alpha-amino acid amide - Alpha-amino acid or derivatives - Monoalkyl phosphate - 1,2,3,4-tetrahydropyrimidine - Organic phosphoric acid derivative - Alkyl phosphate - Pyran - Phosphoric acid ester - Hydropyrimidine - Vinylogous amide - Lactam - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Orthocarboxylic acid derivative - Ortho amide - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Oxacycle - Azacycle - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Primary amine - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Organic anion - Aliphatic 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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