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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-08-24 14:16:08 UTC
Update Date2021-09-14 14:58:58 UTC
HMDB IDHMDB0004824
Secondary Accession Numbers
  • HMDB04824
Metabolite Identification
Common NameN2,N2-Dimethylguanosine
DescriptionN2,N2-Dimethylguanosine, also known as M22G, 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. N2,N2-Dimethylguanosine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make N2,N2-dimethylguanosine a potential biomarker for the consumption of these foods. N2,N2-Dimethylguanosine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on N2,N2-Dimethylguanosine.
Structure
Data?1582752315
Synonyms
ValueSource
2,2-DimethylguanosineChEBI
2-(Dimethylamino)-9-(beta-D-ribofuranosyl)-1,9-dihydro-6H-purin-6-oneChEBI
2-Dimethylamino-6-oxypurine ribosideChEBI
m22gChEBI
N2-DimethylguanosineChEBI
2-(Dimethylamino)-9-(b-D-ribofuranosyl)-1,9-dihydro-6H-purin-6-oneGenerator
2-(Dimethylamino)-9-(β-D-ribofuranosyl)-1,9-dihydro-6H-purin-6-oneGenerator
N,N- DimethylguanosineHMDB
N,N-Dimethyl-guanosineHMDB
m(2)2gMeSH, HMDB
m2(2)gMeSH, HMDB
N(2),N(2)-DimethylguanosineMeSH, HMDB
m(2)(2)gMeSH, HMDB
N2,N2-DimethylguanosineMeSH
Chemical FormulaC12H17N5O5
Average Molecular Weight311.2939
Monoisotopic Molecular Weight311.122968679
IUPAC Name9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(dimethylamino)-6,9-dihydro-3H-purin-6-one
Traditional Name9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(dimethylamino)-3H-purin-6-one
CAS Registry Number2140-67-2
SMILES
CN(C)C1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21)/t5-,7-,8-,11-/m1/s1
InChI KeyRSPURTUNRHNVGF-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
  • Hypoxanthine
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Dialkylarylamine
  • Aminopyrimidine
  • Hydroxypyrimidine
  • Monosaccharide
  • N-substituted imidazole
  • Pyrimidine
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Secondary alcohol
  • Azacycle
  • Oxacycle
  • Organoheterocyclic compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary alcohol
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point235 - 236 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-MetCCS_train_neg169.16230932474
[M+H]+MetCCS_train_pos170.57430932474
[M-H]-Not Available169.162http://allccs.zhulab.cn/database/detail?ID=AllCCS00000138
[M+H]+Not Available170.917http://allccs.zhulab.cn/database/detail?ID=AllCCS00000138
Predicted Molecular Properties
PropertyValueSource
Water Solubility13.7 g/LALOGPS
logP10(-1.2) g/LALOGPS
logP10(-1.6) g/LChemAxon
logS10(-1.4) g/LALOGPS
pKa (Strongest Acidic)7.85ChemAxon
pKa (Strongest Basic)2.59ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area132.44 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity74.26 m³·mol⁻¹ChemAxon
Polarizability30.38 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]+170.07831661259
DarkChem[M-H]-167.32231661259

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N2,N2-DimethylguanosineCN(C)C1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O3301.6Standard polar33892256
N2,N2-DimethylguanosineCN(C)C1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O2528.6Standard non polar33892256
N2,N2-DimethylguanosineCN(C)C1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O3114.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N2,N2-Dimethylguanosine,1TMS,isomer #1CN(C)C1=NC(=O)C2=C([NH]1)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O)C=N22790.7Semi standard non polar33892256
N2,N2-Dimethylguanosine,1TMS,isomer #2CN(C)C1=NC(=O)C2=C([NH]1)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O)C=N22823.0Semi standard non polar33892256
N2,N2-Dimethylguanosine,1TMS,isomer #3CN(C)C1=NC(=O)C2=C([NH]1)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C)C=N22829.1Semi standard non polar33892256
N2,N2-Dimethylguanosine,1TMS,isomer #4CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C=N2)N1[Si](C)(C)C2797.9Semi standard non polar33892256
N2,N2-Dimethylguanosine,2TMS,isomer #1CN(C)C1=NC(=O)C2=C([NH]1)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O)C=N22724.8Semi standard non polar33892256
N2,N2-Dimethylguanosine,2TMS,isomer #2CN(C)C1=NC(=O)C2=C([NH]1)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)C=N22735.2Semi standard non polar33892256
N2,N2-Dimethylguanosine,2TMS,isomer #3CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]3O)C=N2)N1[Si](C)(C)C2765.7Semi standard non polar33892256
N2,N2-Dimethylguanosine,2TMS,isomer #4CN(C)C1=NC(=O)C2=C([NH]1)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=N22739.5Semi standard non polar33892256
N2,N2-Dimethylguanosine,2TMS,isomer #5CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]3O)C=N2)N1[Si](C)(C)C2804.5Semi standard non polar33892256
N2,N2-Dimethylguanosine,2TMS,isomer #6CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C2800.0Semi standard non polar33892256
N2,N2-Dimethylguanosine,3TMS,isomer #1CN(C)C1=NC(=O)C2=C([NH]1)N([C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C=N22709.4Semi standard non polar33892256
N2,N2-Dimethylguanosine,3TMS,isomer #2CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O)C=N2)N1[Si](C)(C)C2749.6Semi standard non polar33892256
N2,N2-Dimethylguanosine,3TMS,isomer #3CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C2748.2Semi standard non polar33892256
N2,N2-Dimethylguanosine,3TMS,isomer #4CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C2766.3Semi standard non polar33892256
N2,N2-Dimethylguanosine,4TMS,isomer #1CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C2766.0Semi standard non polar33892256
N2,N2-Dimethylguanosine,4TMS,isomer #1CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C2902.5Standard non polar33892256
N2,N2-Dimethylguanosine,4TMS,isomer #1CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C3371.9Standard polar33892256
N2,N2-Dimethylguanosine,1TBDMS,isomer #1CN(C)C1=NC(=O)C2=C([NH]1)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)C=N22991.9Semi standard non polar33892256
N2,N2-Dimethylguanosine,1TBDMS,isomer #2CN(C)C1=NC(=O)C2=C([NH]1)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)C=N23007.8Semi standard non polar33892256
N2,N2-Dimethylguanosine,1TBDMS,isomer #3CN(C)C1=NC(=O)C2=C([NH]1)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23012.0Semi standard non polar33892256
N2,N2-Dimethylguanosine,1TBDMS,isomer #4CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C=N2)N1[Si](C)(C)C(C)(C)C2988.4Semi standard non polar33892256
N2,N2-Dimethylguanosine,2TBDMS,isomer #1CN(C)C1=NC(=O)C2=C([NH]1)N([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]1O)C=N23100.4Semi standard non polar33892256
N2,N2-Dimethylguanosine,2TBDMS,isomer #2CN(C)C1=NC(=O)C2=C([NH]1)N([C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23103.4Semi standard non polar33892256
N2,N2-Dimethylguanosine,2TBDMS,isomer #3CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]3O)C=N2)N1[Si](C)(C)C(C)(C)C3121.4Semi standard non polar33892256
N2,N2-Dimethylguanosine,2TBDMS,isomer #4CN(C)C1=NC(=O)C2=C([NH]1)N([C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)C=N23092.6Semi standard non polar33892256
N2,N2-Dimethylguanosine,2TBDMS,isomer #5CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=N2)N1[Si](C)(C)C(C)(C)C3142.2Semi standard non polar33892256
N2,N2-Dimethylguanosine,2TBDMS,isomer #6CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C3140.6Semi standard non polar33892256
N2,N2-Dimethylguanosine,3TBDMS,isomer #1CN(C)C1=NC(=O)C2=C([NH]1)N([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]1O[Si](C)(C)C(C)(C)C)C=N23243.9Semi standard non polar33892256
N2,N2-Dimethylguanosine,3TBDMS,isomer #2CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)C=N2)N1[Si](C)(C)C(C)(C)C3280.4Semi standard non polar33892256
N2,N2-Dimethylguanosine,3TBDMS,isomer #3CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C3286.3Semi standard non polar33892256
N2,N2-Dimethylguanosine,3TBDMS,isomer #4CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C3286.1Semi standard non polar33892256
N2,N2-Dimethylguanosine,4TBDMS,isomer #1CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C3479.6Semi standard non polar33892256
N2,N2-Dimethylguanosine,4TBDMS,isomer #1CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C3652.0Standard non polar33892256
N2,N2-Dimethylguanosine,4TBDMS,isomer #1CN(C)C1=NC(=O)C2=C(N([C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)C=N2)N1[Si](C)(C)C(C)(C)C3678.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N2,N2-Dimethylguanosine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ac3-9180000000-6b74485ca69b8a0937c12017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N2,N2-Dimethylguanosine GC-MS (3 TMS) - 70eV, Positivesplash10-01c0-3391310000-26de80f9bc78e87a644a2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N2,N2-Dimethylguanosine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N2,N2-Dimethylguanosine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine CE-QTOF-MS system (Agilent 7100 CE + 6550 QTOF) 10V, Positive-QTOFsplash10-001i-0900000000-6033a973f510df066a112019-03-07HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 10V, Positive-QTOFsplash10-001i-0901000000-ee7f601ba19e92eb30002021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 30V, Positive-QTOFsplash10-001i-0900000000-1ee81ff6672079088e872021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 40V, Negative-QTOFsplash10-001i-1900000000-d79f213e790ad370a66e2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 30V, Negative-QTOFsplash10-0059-0900000000-20a29955f6b438cd3fa12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 20V, Negative-QTOFsplash10-004i-0901000000-1701dcf20f0234b63b6d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 10V, Negative-QTOFsplash10-03di-0309000000-1bbce8944068addfb2612021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 40V, Negative-QTOFsplash10-004i-0900000000-95ebcc742789eafc2b3b2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 10V, Positive-QTOFsplash10-01q9-0904000000-49681e90d78457e6d0c92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 35V, Positive-QTOFsplash10-001i-0900000000-b320e8e065d43857d0a52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 20V, Negative-QTOFsplash10-03di-0309000000-d555efe7388f8c08d0e52021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 20V, Positive-QTOFsplash10-001i-0900000000-8a37caef7033915dada72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 35V, Negative-QTOFsplash10-004i-0900000000-4412ec0093a05d259e3c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 10V, Negative-QTOFsplash10-03di-0009000000-91ed5c716462a0de56ed2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 40V, Positive-QTOFsplash10-001i-0900000000-16a2c20e204fd9a3725c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 0V, Positive-QTOFsplash10-03e9-0709000000-956e2532e241964d69e92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 20V, Positive-QTOFsplash10-001i-0900000000-0138cd5cbbbc494c7b3f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 10V, Positive-QTOFsplash10-001i-0900000000-f21ba6a3e1d687e0fe982021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N2,N2-Dimethylguanosine 30V, Positive-QTOFsplash10-001i-3900000000-b511ad9d8a15f64f7f662021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2,N2-Dimethylguanosine 10V, Positive-QTOFsplash10-001i-0913000000-0a30a8ffbe4d72e234cd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2,N2-Dimethylguanosine 20V, Positive-QTOFsplash10-001i-0900000000-8d944e0314b44af1f0272016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2,N2-Dimethylguanosine 40V, Positive-QTOFsplash10-01q9-1900000000-ec4fb5d37def9d84c5a52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2,N2-Dimethylguanosine 10V, Negative-QTOFsplash10-03fr-0759000000-2b4a326aad3ce87ea5e32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2,N2-Dimethylguanosine 20V, Negative-QTOFsplash10-004i-0910000000-10561e691bbf8dac63d52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2,N2-Dimethylguanosine 40V, Negative-QTOFsplash10-03di-1900000000-c3a8e7eb56de154adbdb2016-08-03Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Placenta
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.031 +/- 0.004 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.029 +/- 0.09 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.0289 +/- 0.0151 uMAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified0.360 (0.224-0.496) umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.44 +/- 0.09 uMAdult (>18 years old)Both
Kidney disease
details
BloodDetected and Quantified0.760 +/- 0.288 uMAdult (>18 years old)Both
Uremia
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBladder cancer details
Associated Disorders and Diseases
Disease References
Kidney disease
  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 ]
Uremia
  1. Vanholder R, De Smet R, Glorieux G, Argiles A, Baurmeister U, Brunet P, Clark W, Cohen G, De Deyn PP, Deppisch R, Descamps-Latscha B, Henle T, Jorres A, Lemke HD, Massy ZA, Passlick-Deetjen J, Rodriguez M, Stegmayr B, Stenvinkel P, Tetta C, Wanner C, Zidek W: Review on uremic toxins: classification, concentration, and interindividual variability. Kidney Int. 2003 May;63(5):1934-43. doi: 10.1046/j.1523-1755.2003.00924.x. [PubMed:12675874 ]
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023432
KNApSAcK IDNot Available
Chemspider ID83878
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID7086
PubChem Compound92919
PDB IDNot Available
ChEBI ID19289
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000454
Good Scents IDNot Available
References
Synthesis ReferenceGerster, John F.; Robins, Roland K. Purine nucleosides. X. The synthesis of certain naturally occurring 2-substituted amino-9-b-D-ribofuranosylpurin-6(1 H)-ones (N2-substituted guanosines). Journal of the American Chemical Society (1965), 87(16), 3752-9.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Lee SH, Jung BH, Kim SY, Chung BC: A rapid and sensitive method for quantitation of nucleosides in human urine using liquid chromatography/mass spectrometry with direct urine injection. Rapid Commun Mass Spectrom. 2004;18(9):973-7. [PubMed:15116424 ]
  2. Zheng YF, Yang J, Zhao XJ, Feng B, Kong HW, Chen YJ, Lv S, Zheng MH, Xu GW: Urinary nucleosides as biological markers for patients with colorectal cancer. World J Gastroenterol. 2005 Jul 7;11(25):3871-6. [PubMed:15991285 ]
  3. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]