Compound Identification
SMILES
NC1NC(=O)C2=C(N1)N[C@@H]1O[C@H](COP(O)(O)=O)C([S-])=C([S-])[C@@H]1N2
InChIKey
InChIKey=WOVOXSWXFIURJE-VJTMLDAESA-L
Formula
C10H14N5O6PS2
Mass
395.35
Taxonomic Classification
Taxonomy Tree
-
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 Alpha amino acid amides Monoalkyl phosphates Pyrans Hydropyrimidines Vinylogous amides Secondary carboxylic acid amides Orthocarboxylic acid derivatives Ortho amides Lactams Oxacyclic compounds Azacyclic compounds Dialkylamines Enamines Primary amines Hydrocarbon derivatives Organic oxides Carbonyl compounds Organosulfur compounds Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Molybdopterin - Pyranopterin - Alpha-amino acid amide - Alpha-amino acid or derivatives - Monoalkyl phosphate - 1,2,3,4-tetrahydropyrimidine - Organic phosphoric acid derivative - Alkyl phosphate - Pyran - Phosphoric acid ester - Hydropyrimidine - Vinylogous amide - Lactam - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Orthocarboxylic acid derivative - Ortho amide - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Oxacycle - Azacycle - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Primary amine - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Organic anion - 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