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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-05-22 14:17:29 UTC
Update Date2021-09-14 15:46:09 UTC
HMDB IDHMDB0001961
Secondary Accession Numbers
  • HMDB01961
Metabolite Identification
Common Name1,7-Dimethylguanosine
Description1,7-dimethylguanosine is a modified ribonucleoside. 1,7-dimethylguanosine is formed in tRNA enzymatic methylation. 1,7-Dimethylguanosine was found to be formed in high amounts in the tRNA methylation reaction at high concentrations of methylating agents.1,7-dimethylguanosine has a possible connection to chemical cancerogenesis and to the aberrant increase of tRNA methylases activity in tumor tissues. The amount of 1,7-dimethylguanosine produced by the kidney is higher than that produced by the liver. The immediate precursor in the formation of 1,7-dimethylguanosine in tRNA appears to be 1-methylguanosine. An accumulation of modified ribonucleosides appears in the serum of uremic patients. (PMID: 7046770 , 6164398 , 7259877 , 7159514 , 9607216 ).
Structure
Data?1582752220
Synonyms
ValueSource
1,7-DimethylguanosineMeSH
Chemical FormulaC12H17N5O5
Average Molecular Weight311.2939
Monoisotopic Molecular Weight311.122968679
IUPAC Name2-amino-9-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxidooxolan-2-yl]-1,7-dimethyl-6-oxo-6,7-dihydro-1H-9λ⁵-purin-9-ylium
Traditional Name2-amino-9-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-oxidooxolan-2-yl]-1,7-dimethyl-6-oxo-9λ⁵-purin-9-ylium
CAS Registry Number69453-64-1
SMILES
CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[O-])C2=C1C(=O)N(C)C(N)=N2
InChI Identifier
InChI=1S/C12H17N5O5/c1-15-4-17(11-8(20)7(19)5(3-18)22-11)9-6(15)10(21)16(2)12(13)14-9/h4-5,7-8,11,18-19H,3H2,1-2H3,(H2,13,14)/t5-,7-,8-,11-/m1/s1
InChI KeyAISVAXNALHBFPC-IOSLPCCCSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleosides
Sub ClassNot Available
Direct ParentPurine nucleosides
Alternative Parents
Substituents
  • Purine nucleoside
  • Glycosyl compound
  • N-glycosyl compound
  • 6-oxopurine
  • Hypoxanthine
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Pyrimidone
  • Monosaccharide
  • N-substituted imidazole
  • Pyrimidine
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Vinylogous amide
  • Tetrahydrofuran
  • Secondary alcohol
  • Lactam
  • Organoheterocyclic compound
  • Oxacycle
  • Azacycle
  • Primary amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary alcohol
  • Amine
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organic zwitterion
  • Alkoxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility6.18 g/LALOGPS
logP10(-1.8) g/LALOGPS
logP10(-6.5) g/LChemAxon
logS10(-1.8) g/LALOGPS
pKa (Strongest Acidic)11.72ChemAxon
pKa (Strongest Basic)1.25ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area140.25 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity85.26 m³·mol⁻¹ChemAxon
Polarizability30.55 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+31661259
DarkChem[M-H]-31661259
AllCCS[M+H]+169.20632859911
AllCCS[M-H]-171.39732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1,7-DimethylguanosineCN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[O-])C2=C1C(=O)N(C)C(N)=N23768.3Standard polar33892256
1,7-DimethylguanosineCN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[O-])C2=C1C(=O)N(C)C(N)=N22120.5Standard non polar33892256
1,7-DimethylguanosineCN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[O-])C2=C1C(=O)N(C)C(N)=N22983.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
1,7-Dimethylguanosine,1TMS,isomer #1CN1C(N)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1[O-]2777.0Semi standard non polar33892256
1,7-Dimethylguanosine,1TMS,isomer #2CN1C(N)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1[O-]2774.0Semi standard non polar33892256
1,7-Dimethylguanosine,1TMS,isomer #3CN1C(N[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[O-]2814.8Semi standard non polar33892256
1,7-Dimethylguanosine,2TMS,isomer #1CN1C(N)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1[O-]2730.4Semi standard non polar33892256
1,7-Dimethylguanosine,2TMS,isomer #2CN1C(N[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1[O-]2773.0Semi standard non polar33892256
1,7-Dimethylguanosine,2TMS,isomer #3CN1C(N[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1[O-]2804.3Semi standard non polar33892256
1,7-Dimethylguanosine,2TMS,isomer #4CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[O-]2786.9Semi standard non polar33892256
1,7-Dimethylguanosine,3TMS,isomer #1CN1C(N[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1[O-]2763.5Semi standard non polar33892256
1,7-Dimethylguanosine,3TMS,isomer #1CN1C(N[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1[O-]2988.3Standard non polar33892256
1,7-Dimethylguanosine,3TMS,isomer #1CN1C(N[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1[O-]3459.5Standard polar33892256
1,7-Dimethylguanosine,3TMS,isomer #2CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1[O-]2778.1Semi standard non polar33892256
1,7-Dimethylguanosine,3TMS,isomer #2CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1[O-]3141.2Standard non polar33892256
1,7-Dimethylguanosine,3TMS,isomer #2CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1[O-]3521.9Standard polar33892256
1,7-Dimethylguanosine,3TMS,isomer #3CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1[O-]2802.7Semi standard non polar33892256
1,7-Dimethylguanosine,3TMS,isomer #3CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1[O-]3082.8Standard non polar33892256
1,7-Dimethylguanosine,3TMS,isomer #3CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1[O-]3400.9Standard polar33892256
1,7-Dimethylguanosine,4TMS,isomer #1CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1[O-]2797.1Semi standard non polar33892256
1,7-Dimethylguanosine,4TMS,isomer #1CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1[O-]3113.2Standard non polar33892256
1,7-Dimethylguanosine,4TMS,isomer #1CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1[O-]3143.6Standard polar33892256
1,7-Dimethylguanosine,1TBDMS,isomer #1CN1C(N)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1[O-]3020.7Semi standard non polar33892256
1,7-Dimethylguanosine,1TBDMS,isomer #2CN1C(N)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[O-]3009.1Semi standard non polar33892256
1,7-Dimethylguanosine,1TBDMS,isomer #3CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[O-]3044.9Semi standard non polar33892256
1,7-Dimethylguanosine,2TBDMS,isomer #1CN1C(N)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[O-]3179.4Semi standard non polar33892256
1,7-Dimethylguanosine,2TBDMS,isomer #2CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1[O-]3232.5Semi standard non polar33892256
1,7-Dimethylguanosine,2TBDMS,isomer #3CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[O-]3243.5Semi standard non polar33892256
1,7-Dimethylguanosine,2TBDMS,isomer #4CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1[O-]3253.6Semi standard non polar33892256
1,7-Dimethylguanosine,3TBDMS,isomer #1CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[O-]3428.8Semi standard non polar33892256
1,7-Dimethylguanosine,3TBDMS,isomer #1CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[O-]3628.1Standard non polar33892256
1,7-Dimethylguanosine,3TBDMS,isomer #1CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[O-]3633.0Standard polar33892256
1,7-Dimethylguanosine,3TBDMS,isomer #2CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1[O-]3434.4Semi standard non polar33892256
1,7-Dimethylguanosine,3TBDMS,isomer #2CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1[O-]3764.4Standard non polar33892256
1,7-Dimethylguanosine,3TBDMS,isomer #2CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1[O-]3643.0Standard polar33892256
1,7-Dimethylguanosine,3TBDMS,isomer #3CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[O-]3462.0Semi standard non polar33892256
1,7-Dimethylguanosine,3TBDMS,isomer #3CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[O-]3717.0Standard non polar33892256
1,7-Dimethylguanosine,3TBDMS,isomer #3CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[O-]3560.3Standard polar33892256
1,7-Dimethylguanosine,4TBDMS,isomer #1CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[O-]3634.9Semi standard non polar33892256
1,7-Dimethylguanosine,4TBDMS,isomer #1CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[O-]3922.0Standard non polar33892256
1,7-Dimethylguanosine,4TBDMS,isomer #1CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(C1=O)N(C)C=[N+]2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[O-]3436.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 1,7-Dimethylguanosine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ul3-5190000000-b6efd1b0de6f867dfef12017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,7-Dimethylguanosine GC-MS (2 TMS) - 70eV, Positivesplash10-0pdi-6914300000-55a8e845530a17b1def62017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,7-Dimethylguanosine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,7-Dimethylguanosine 10V, Positive-QTOFsplash10-001i-0901000000-ff3d53947e369807a1a62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,7-Dimethylguanosine 20V, Positive-QTOFsplash10-001i-0900000000-644d98aff8beb3c230d82017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,7-Dimethylguanosine 40V, Positive-QTOFsplash10-00di-0900000000-ed639b094f6f657cdd6b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,7-Dimethylguanosine 10V, Negative-QTOFsplash10-03e9-0978000000-d999459b8228690b03472017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,7-Dimethylguanosine 20V, Negative-QTOFsplash10-001i-0920000000-7f9f2e8bd0a05e57db972017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,7-Dimethylguanosine 40V, Negative-QTOFsplash10-03di-2900000000-dae0f412572a1d88a8242017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,7-Dimethylguanosine 10V, Positive-QTOFsplash10-001i-0902000000-92506f2955e30691cc392021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,7-Dimethylguanosine 20V, Positive-QTOFsplash10-001i-0900000000-bf2000feeb7b932cc0b12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,7-Dimethylguanosine 40V, Positive-QTOFsplash10-001i-2910000000-0f7615343b7eb1969bfa2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,7-Dimethylguanosine 10V, Negative-QTOFsplash10-003r-0911000000-5748212a364a9de4d0042021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,7-Dimethylguanosine 20V, Negative-QTOFsplash10-004i-0900000000-e17f62224c72bd0c388a2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,7-Dimethylguanosine 40V, Negative-QTOFsplash10-00fr-2910000000-70e877dfb2209a63c9c12021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022767
KNApSAcK IDNot Available
Chemspider ID140757
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound160130
PDB IDNot Available
ChEBI ID165836
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Niwa T, Takeda N, Yoshizumi H: RNA metabolism in uremic patients: accumulation of modified ribonucleosides in uremic serum. Technical note. Kidney Int. 1998 Jun;53(6):1801-6. [PubMed:9607216 ]
  2. Kanduc D: 1,7-Dimethylguanosine formation in tRNA enzymatic methylation. Boll Soc Ital Biol Sper. 1982 Apr 30;58(8):453-6. [PubMed:7046770 ]
  3. Kanduc D: tRNA chemical methylation. In vitro and in vivo formation of 1,7-dimethylguanosine at high concentrations of methylating agents. Biochim Biophys Acta. 1981 Mar 26;653(1):9-17. [PubMed:6164398 ]
  4. Kanduc D: tRNA-dimethylsulphate reaction: identification of 1,7-dimethylguanosine as a major product at high concentrations of methylating agent. Boll Soc Ital Biol Sper. 1981 Mar 15;57(5):477-82. [PubMed:7259877 ]
  5. Kanduc D, Sapia G: Origin of 1,7-dimethylguanosine in tRNA chemical and enzymatic methylation. Boll Soc Ital Biol Sper. 1982 Oct 15;58(19):1221-5. [PubMed:7159514 ]