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Structure Information
Structure

Compound Identification

SMILES

NC1NC(=O)C2N[C@@H]3[C@H](NC2=N1)O[C@H](COP(O)(O)=O)C(S)=C3S

InChIKey

InChIKey=PMOGLDNDDGPINN-KPIHYQBISA-N

Formula

C10H16N5O6PS2

Mass

397.36

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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 - Organic phosphoric acid derivative - 1,4-diazinane - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Imidolactam - Alkyl phosphate - Orthocarboxylic acid derivative - Lactam - Ortho amide - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Alkylthiol - Amidine - Carboxylic acid amidine - Oxacycle - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Thioenol - Secondary amine - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - 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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