Structure Information
Structure

Compound Identification

SMILES

O.[Mo++].NC1NC(=O)C2N[C@@H]3[C@H](NC2=N1)O[C@H](COP(O)(O)=O)C([S-])=C3[S-]

InChIKey

InChIKey=UPWNFJDJLORWTQ-YJEVZWBJSA-L

Formula

C10H16MoN5O7PS2

Mass

509.31

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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 - Aminopyrimidine - Pyrimidone - Monoalkyl phosphate - Phosphoric acid ester - Piperazine - Pyran - Pyrimidine - Alkyl phosphate - 1,4-diazinane - Imidolactam - 1,2,5,6-tetrahydropyrimidine - Hydropyrimidine - Organic phosphoric acid derivative - Carboxamide group - Orthocarboxylic acid derivative - Secondary carboxylic acid amide - Lactam - Ortho amide - Amino acid or derivatives - Amidine - Carboxylic acid amidine - Oxacycle - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organic transition metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Amine - Organic oxide - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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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