Compound Identification
SMILES
NC1=NC(=O)C2=C(N[C@@H]3O[C@H](COP(O)(O)=O)C(S)C(=S)[C@@H]3N2)N1
InChIKey
InChIKey=IAGKTWHLIOETBG-ALOJHKJQSA-N
Formula
C10H14N5O6PS2
Mass
395.34
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
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Subclass
Pterins and derivatives
- Level 5 Molybdopterins
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Subclass
Pterins and derivatives
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Class
Pteridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Pterins and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Molybdopterins
Alternative Parents
Pyranopterins and derivatives Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Monoalkyl phosphates Oxanes Monosaccharides Vinylogous amides Heteroaromatic compounds Thioketones Alkylthiols Azacyclic compounds Oxacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Molybdopterin - Pyranopterin - Aminopyrimidine - Monoalkyl phosphate - Pyrimidone - Secondary aliphatic/aromatic amine - Monosaccharide - Organic phosphoric acid derivative - Oxane - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Heteroaromatic compound - Vinylogous amide - Thioketone - Azacycle - Oxacycle - Alkylthiol - Secondary amine - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Thiocarbonyl group - 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