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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Alpha amino acid amides Pyrimidones Aminopyrimidines and derivatives Monoalkyl phosphates Pyrans Piperazines Hydropyrimidines Imidolactams Secondary carboxylic acid amides Orthocarboxylic acid derivatives Ortho amides Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxamidines Carboximidamides Organic transition metal salts Dialkylamines Hydrocarbon derivatives Organosulfur compounds Organic zwitterions Carbonyl compounds Organic oxides
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