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
Taxonomic Classification
Taxonomy Tree
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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 Hydropyrimidines Piperazines Imidolactams Secondary carboxylic acid amides Orthocarboxylic acid derivatives Ortho amides Lactams Alkylthiols Thioenols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Dialkylamines Carboximidamides Carboxamidines Hydrocarbon derivatives Primary amines 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 - 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