Structure Information
Structure

Compound Identification

SMILES

N[C@@H](CS[Mo]1(=O)(=O)SC2=C(S1)[C@@H]1NC3=C(N[C@@H]1O[C@@H]2COP([O-])([O-])=O)N=C(N)NC3=O)C(O)=O

InChIKey

InChIKey=YXUIUEIXESWPFX-UPKSQWNVSA-I

Formula

C13H16MoN6O10PS3

Mass

639.41

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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 - L-cysteine-s-conjugate - Cysteine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Aminopyrimidine - Pyrimidone - Secondary aliphatic/aromatic amine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyran - Pyrimidine - Alkyl phosphate - Imidolactam - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Lactam - Oxacycle - Azacycle - Sulfenyl compound - Secondary amine - Organic metal salt - Organic transition metal salt - Carboxylic acid derivative - Carboxylic acid - Metalloheterocycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Primary amine - 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

CHEBI:60103 : Mo-molybdopterin cofactor - molybdopterin cofactor

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