guanylyl molybdenum cofactor (PAMDB110254)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110254
Identification
Name: guanylyl molybdenum cofactor
Description:An organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of Mo(VI)-molybdopterin guanine dinucleotide.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • MGD
  • MPT-GMP
  • MoO2(OH)Dtpp-mGDP
  • molybdopterin guanine dinucleotide
Chemical Formula: C20H22N10O15P2S2Mo
Average Molecular Weight: 864.46
Monoisotopic Molecular Weight: 867.9393323539
InChI Key: RQPREYSMTBNTJA-JNXJJIQFSA-J
InChI: InChI=1S/C20H26N10O13P2S2.Mo.2O/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34;;;/h3-6,9-10,17-18,24,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H4,21,25,26,28,33);;;/q;+2;;/p-4/t4-,5-,6+,9-,10-,17-,18-;;;/m1.../s1
CAS number: Not Available
IUPAC Name:{5'-O-[{[{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-di(sulfanyl-κS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosinato(4−)}(dioxo)molybdate(2−)
Traditional IUPAC Name: Not Available
SMILES:C(OP(=O)([O-])OP(=O)([O-])OCC3(O[CH]1(NC4(N=C(N)NC(=O)C(N[CH]1C2(=C(S[Mo](=O)(=O)S2)3))=4))))C5(OC(C(O)C(O)5)N7(C=NC6(C(=O)NC(N)=NC=67)))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as molybdopterin dinucleotides. These are a dinucleotide that is made up of a molybdopterin and a purine or pyrimidine base linked to each other through a phosphate chain.
Kingdom Organic compounds
Super ClassNucleosides, nucleotides, and analogues
Class Molybdopterin dinucleotides
Sub ClassNot Available
Direct Parent Molybdopterin dinucleotides
Alternative Parents
Substituents
  • Molybdopterin dinucleotide
  • Purine ribonucleoside diphosphate
  • Molybdopterin
  • Purine ribonucleoside monophosphate
  • Pyranopterin
  • Pentose phosphate
  • Pentose-5-phosphate
  • Pterin
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • 6-oxopurine
  • Organic pyrophosphate
  • Pentose monosaccharide
  • Hypoxanthine
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Pyrimidone
  • Secondary aliphatic/aromatic amine
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • N-substituted imidazole
  • Imidolactam
  • Monosaccharide
  • Alkyl phosphate
  • Pyran
  • Pyrimidine
  • Vinylogous amide
  • Heteroaromatic compound
  • Azole
  • Imidazole
  • Tetrahydrofuran
  • Lactam
  • 1,2-diol
  • Secondary alcohol
  • Oxacycle
  • Azacycle
  • Organic metal salt
  • Organic transition metal salt
  • Organoheterocyclic compound
  • Metalloheterocycle
  • Secondary amine
  • Organic oxygen compound
  • Organic salt
  • Hydrocarbon derivative
  • Amine
  • Alcohol
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic anion
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight864.469 g/molPubChem
Hydrogen Bond Donor Count8 PubChem
Hydrogen Bond Acceptor Count20 PubChem
Rotatable Bond Count9 PubChem
Exact Mass865.924 g/molPubChem
Monoisotopic Mass865.924 g/molPubChem
Topological Polar Surface Area380 A^2PubChem
Heavy Atom Count50 PubChem
Formal Charge-2 PubChem
Complexity1660 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count4 PubChem
Undefined Atom Stereocenter Count3 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count2 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    ChEBI71310
    PubChem50986239