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
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
-
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 L-cysteine-S-conjugates L-alpha-amino acids Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Alkyl phosphates Pyrans Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids Lactams Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Organic transition metal salts Monocarboxylic acids and derivatives Metalloheterocyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Monoalkylamines Carbonyl compounds Organic anions
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