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Bovine Metabolome Database

Showing metabocard for Diguanosine hexaphosphate (BMDB01543)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-05-05 20:58:50
Accession Number BMDB01543
Common Name Diguanosine hexaphosphate
Description Diguanosine hexaphosphate is a diguanosine polyphosphate. Diguanosine polyphosphates (GpnGs) are found in human platelets, among a number of dinucleoside polyphosphates, which vary with respect to the number of phosphate groups and the nucleoside moieties; not only diguanosine polyphosphates (GpnG) are found, but also mixed dinucleoside polyphosphates containing one adenosine and one guanosine moiety (ApnG). The vasoactive nucleotides that can be detected in human plasma contains short(n=2-3) and long(n=4-6)polyphosphate chains. GpnGs have not yet been characterized so far with respect to their effects on kidney vasculature. (PMID: 11159696, 11682456, 11115507)
  1. Guanosine 5'-(heptahydrogen hexaphosphate) P->5'-ester with guanosine
Chemical IUPAC Name Not Available
Chemical Formula C20H31N10O30P7
Chemical Structure Structure
Chemical Taxonomy
  • Organic
Super Class
  • Nucleosides and Nucleoside conjugates
  • Nucleotides
Sub Class
  • Nucleotide polyphosphates
  • Mammalian_Metabolite
  • secondary alcohol; 1,2-diol; primary amine; primary aromatic amine; oxo(het)arene; phosphoric acid ester; aromatic compound; heterocyclic compound
  • Endogenous
Average Molecular Weight 1108.325
Monoisotopic Molecular Weight 1107.937134
Isomeric SMILES NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=NC4=C3N=C(N)NC4=O)[C@@H](O)[C@H]2O)C(=O)N1
Canonical SMILES NC1=NC2=C(N=CN2C2OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC3OC(C(O)C3O)N3C=NC4=C3N=C(N)NC4=O)C(O)C2O)C(=O)N1
KEGG Compound ID Not Available
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
METLIN ID Not Available
PubChem Compound Not Available
PubChem Substance Not Available
ChEBI ID Not Available
CAS Registry Number 83269-95-8
InChI Identifier InChI=1/C20H31N10O30P7/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(53-17)1-51-61(37,38)55-63(41,42)57-65(45,46)59-67(49,50)60-66(47,48)58-64(43,44)56-62(39,40)52-2-6-10(32)12(34)18(54-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
Synthesis Reference Schluter, Hartmut; Gross, Isolde; Bachmann, Jurgen; Kaufmann, Raimund; Van Der Giet, Marcus; Tepel, Martin; Nofer, Jerzy-Roch; Assmann, Gerd; Karas, Michael; Jankowski, Joachim; Zidek, Walter. Adenosine(5') oligophospho-(5') guanosines and guanosine(5') oligophospho-(5') guanosines in human platelets. Journal of Clinical Investigation (1998), 101(3), 682-688.
Melting Point (Experimental) Not Available
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 19.8 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge -7
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity 1.18 [Predicted by ALOGPS] Calculated using ALOGPS
Material Safety Data Sheet (MSDS) Not Available
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2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Show Image
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Predicted 13C NMR Spectrum Show Image
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Mass Spectrum Not Available
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location Not Available
Biofluid Location Not Available
Tissue Location Not Available
Concentrations (Normal) Not Available
Concentrations (Abnormal) Not Available
Pathway Names Not Available
HMDB Pathways Not Available
KEGG Pathways Not Available
SimCell Pathways Not Available
General References Not Available