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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 14:57:49 UTC
HMDB IDHMDB0001563
Secondary Accession Numbers
  • HMDB01563
Metabolite Identification
Common Name1-Methylguanosine
Description1-Methylguanosine, also known as M1G, 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. 1-Methylguanosine has been detected, but not quantified in, several different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), domestic pigs (Sus scrofa domestica), and milk (cow). This could make 1-methylguanosine a potential biomarker for the consumption of these foods. 1-Methylguanosine 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 1-Methylguanosine.
Structure
Data?1582752210
Synonyms
ValueSource
m1gChEBI
N1-MethylguanosineChEBI
N-MethylguanosineMeSH
1-Methyl-guanosineHMDB
MethylguanosineHMDB
TRMD ProteinHMDB
Chemical FormulaC11H15N5O5
Average Molecular Weight297.2673
Monoisotopic Molecular Weight297.107318615
IUPAC Name2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6,9-dihydro-1H-purin-6-one
Traditional Name1-methylguanosine
CAS Registry Number2140-65-0
SMILES
CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O
InChI Identifier
InChI=1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1
InChI KeyUTAIYTHAJQNQDW-KQYNXXCUSA-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
  • Purinone
  • Pentose monosaccharide
  • Purine
  • Imidazopyrimidine
  • Pyrimidone
  • Pyrimidine
  • Monosaccharide
  • N-substituted imidazole
  • Imidazole
  • Azole
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Vinylogous amide
  • Lactam
  • Secondary alcohol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Alcohol
  • Primary alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot 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]-Baker166.92630932474
[M+H]+Baker168.80330932474
[M-H]-Not Available166.926http://allccs.zhulab.cn/database/detail?ID=AllCCS00001914
[M+H]+Not Available168.803http://allccs.zhulab.cn/database/detail?ID=AllCCS00001914
Predicted Molecular Properties
PropertyValueSource
Water Solubility16.1 g/LALOGPS
logP-1.8ALOGPS
logP-2.5ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)12.45ChemAxon
pKa (Strongest Basic)1.43ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area146.43 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity69.52 m³·mol⁻¹ChemAxon
Polarizability28.17 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]+166.16131661259
DarkChem[M-H]-164.20131661259
AllCCS[M+H]+165.7732859911
AllCCS[M-H]-166.57532859911
DeepCCS[M+H]+163.94930932474
DeepCCS[M-H]-161.59130932474
DeepCCS[M-2H]-195.68630932474
DeepCCS[M+Na]+170.9930932474
AllCCS[M+H]+165.832859911
AllCCS[M+H-H2O]+162.532859911
AllCCS[M+NH4]+168.832859911
AllCCS[M+Na]+169.732859911
AllCCS[M-H]-166.632859911
AllCCS[M+Na-2H]-166.232859911
AllCCS[M+HCOO]-165.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1-MethylguanosineCN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O3491.1Standard polar33892256
1-MethylguanosineCN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O1633.7Standard non polar33892256
1-MethylguanosineCN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O3040.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
1-Methylguanosine,1TMS,isomer #1CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C1=O2799.3Semi standard non polar33892256
1-Methylguanosine,1TMS,isomer #2CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C1=O2809.2Semi standard non polar33892256
1-Methylguanosine,1TMS,isomer #3CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C1=O2807.9Semi standard non polar33892256
1-Methylguanosine,1TMS,isomer #4CN1C(N[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O2839.1Semi standard non polar33892256
1-Methylguanosine,2TMS,isomer #1CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C1=O2747.5Semi standard non polar33892256
1-Methylguanosine,2TMS,isomer #2CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C1=O2737.9Semi standard non polar33892256
1-Methylguanosine,2TMS,isomer #3CN1C(N[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C1=O2774.1Semi standard non polar33892256
1-Methylguanosine,2TMS,isomer #4CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C1=O2756.9Semi standard non polar33892256
1-Methylguanosine,2TMS,isomer #5CN1C(N[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C1=O2785.4Semi standard non polar33892256
1-Methylguanosine,2TMS,isomer #6CN1C(N[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C1=O2789.5Semi standard non polar33892256
1-Methylguanosine,2TMS,isomer #7CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O2769.3Semi standard non polar33892256
1-Methylguanosine,3TMS,isomer #1CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C1=O2713.3Semi standard non polar33892256
1-Methylguanosine,3TMS,isomer #2CN1C(N[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C1=O2744.5Semi standard non polar33892256
1-Methylguanosine,3TMS,isomer #3CN1C(N[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C1=O2739.0Semi standard non polar33892256
1-Methylguanosine,3TMS,isomer #4CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C1=O2759.9Semi standard non polar33892256
1-Methylguanosine,3TMS,isomer #5CN1C(N[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C1=O2757.8Semi standard non polar33892256
1-Methylguanosine,3TMS,isomer #6CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C1=O2781.6Semi standard non polar33892256
1-Methylguanosine,3TMS,isomer #7CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C1=O2773.3Semi standard non polar33892256
1-Methylguanosine,4TMS,isomer #1CN1C(N[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C1=O2762.5Semi standard non polar33892256
1-Methylguanosine,4TMS,isomer #1CN1C(N[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C1=O2910.9Standard non polar33892256
1-Methylguanosine,4TMS,isomer #1CN1C(N[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C1=O3629.2Standard polar33892256
1-Methylguanosine,4TMS,isomer #2CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C1=O2778.1Semi standard non polar33892256
1-Methylguanosine,4TMS,isomer #2CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C1=O3013.2Standard non polar33892256
1-Methylguanosine,4TMS,isomer #2CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C1=O3547.4Standard polar33892256
1-Methylguanosine,4TMS,isomer #3CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C1=O2777.0Semi standard non polar33892256
1-Methylguanosine,4TMS,isomer #3CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C1=O3030.8Standard non polar33892256
1-Methylguanosine,4TMS,isomer #3CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C1=O3596.1Standard polar33892256
1-Methylguanosine,4TMS,isomer #4CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C1=O2796.5Semi standard non polar33892256
1-Methylguanosine,4TMS,isomer #4CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C1=O3029.5Standard non polar33892256
1-Methylguanosine,4TMS,isomer #4CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C1=O3527.1Standard polar33892256
1-Methylguanosine,5TMS,isomer #1CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C1=O2827.1Semi standard non polar33892256
1-Methylguanosine,5TMS,isomer #1CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C1=O3007.1Standard non polar33892256
1-Methylguanosine,5TMS,isomer #1CN1C(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C1=O3321.4Standard polar33892256
1-Methylguanosine,1TBDMS,isomer #1CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C1=O3042.7Semi standard non polar33892256
1-Methylguanosine,1TBDMS,isomer #2CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C1=O3044.8Semi standard non polar33892256
1-Methylguanosine,1TBDMS,isomer #3CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3045.2Semi standard non polar33892256
1-Methylguanosine,1TBDMS,isomer #4CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O3074.4Semi standard non polar33892256
1-Methylguanosine,2TBDMS,isomer #1CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C1=O3193.9Semi standard non polar33892256
1-Methylguanosine,2TBDMS,isomer #2CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3197.5Semi standard non polar33892256
1-Methylguanosine,2TBDMS,isomer #3CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C1=O3235.9Semi standard non polar33892256
1-Methylguanosine,2TBDMS,isomer #4CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3191.4Semi standard non polar33892256
1-Methylguanosine,2TBDMS,isomer #5CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C1=O3241.6Semi standard non polar33892256
1-Methylguanosine,2TBDMS,isomer #6CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3236.3Semi standard non polar33892256
1-Methylguanosine,2TBDMS,isomer #7CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O3215.5Semi standard non polar33892256
1-Methylguanosine,3TBDMS,isomer #1CN1C(N)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3380.7Semi standard non polar33892256
1-Methylguanosine,3TBDMS,isomer #2CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C1=O3404.3Semi standard non polar33892256
1-Methylguanosine,3TBDMS,isomer #3CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3408.9Semi standard non polar33892256
1-Methylguanosine,3TBDMS,isomer #4CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C1=O3399.1Semi standard non polar33892256
1-Methylguanosine,3TBDMS,isomer #5CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3390.5Semi standard non polar33892256
1-Methylguanosine,3TBDMS,isomer #6CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C1=O3418.7Semi standard non polar33892256
1-Methylguanosine,3TBDMS,isomer #7CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3412.7Semi standard non polar33892256
1-Methylguanosine,4TBDMS,isomer #1CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3567.7Semi standard non polar33892256
1-Methylguanosine,4TBDMS,isomer #1CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3693.7Standard non polar33892256
1-Methylguanosine,4TBDMS,isomer #1CN1C(N[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3861.0Standard polar33892256
1-Methylguanosine,4TBDMS,isomer #2CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C1=O3575.5Semi standard non polar33892256
1-Methylguanosine,4TBDMS,isomer #2CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C1=O3782.3Standard non polar33892256
1-Methylguanosine,4TBDMS,isomer #2CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C1=O3775.6Standard polar33892256
1-Methylguanosine,4TBDMS,isomer #3CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3580.4Semi standard non polar33892256
1-Methylguanosine,4TBDMS,isomer #3CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3805.2Standard non polar33892256
1-Methylguanosine,4TBDMS,isomer #3CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3809.7Standard polar33892256
1-Methylguanosine,4TBDMS,isomer #4CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3581.5Semi standard non polar33892256
1-Methylguanosine,4TBDMS,isomer #4CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3804.3Standard non polar33892256
1-Methylguanosine,4TBDMS,isomer #4CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3754.7Standard polar33892256
1-Methylguanosine,5TBDMS,isomer #1CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3750.0Semi standard non polar33892256
1-Methylguanosine,5TBDMS,isomer #1CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3880.1Standard non polar33892256
1-Methylguanosine,5TBDMS,isomer #1CN1C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C(N=CN2[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C1=O3680.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 1-Methylguanosine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0avr-9160000000-c71871a3455821cc0cd82017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Methylguanosine GC-MS (3 TMS) - 70eV, Positivesplash10-000t-6902400000-f62364e1c258d1b219102017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Methylguanosine 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 - 1-Methylguanosine 40V, Negative-QTOFsplash10-06sj-0900000000-c3b78851ce459f2b05332021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 30V, Negative-QTOFsplash10-03di-0900000000-ac1e4f86f920ef0213ec2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 20V, Negative-QTOFsplash10-03di-0900000000-dbbf8ee001ac7ebe86952021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 10V, Negative-QTOFsplash10-03di-0910000000-74105b75d5b6ac0196862021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 35V, Negative-QTOFsplash10-0udj-0960000000-d5cca20daa4759338cf82021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 20V, Positive-QTOFsplash10-014i-0900000000-83049daf172a0028ef3b2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 30V, Positive-QTOFsplash10-014i-0900000000-297efbbdd4c56947d85a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 40V, Positive-QTOFsplash10-014j-0900000000-1a00daf15f672985739a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 10V, Positive-QTOFsplash10-014i-0900000000-76bb8e0e68de58eab7cb2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 30V, Positive-QTOFsplash10-014i-5900000000-e057b071aa699b98597c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 0V, Positive-QTOFsplash10-014j-0961000000-b3371b576dbf1f20bc3b2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 35V, Positive-QTOFsplash10-014i-0900000000-e12157cd4c291c524eca2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 0V, Positive-QTOFsplash10-014j-0951000000-066a7ef362ef491180352021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 10V, Positive-QTOFsplash10-014i-0900000000-ac243405a8007cad38502021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 10V, Positive-QTOFsplash10-014i-0900000000-206489ed223c9cc326132021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - 1-Methylguanosine 30V, Positive-QTOFsplash10-014i-1900000000-46402612942543fd8d3b2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Methylguanosine 10V, Negative-QTOFsplash10-01ot-0490000000-97864ef8e1af3fce3c342016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Methylguanosine 20V, Negative-QTOFsplash10-03di-0910000000-d1f62b75fc81d9c17e962016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Methylguanosine 40V, Negative-QTOFsplash10-0002-1900000000-6dceb96152f42447d0bb2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Methylguanosine 10V, Negative-QTOFsplash10-03dj-0960000000-cfec64bc7bf63f06813c2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Methylguanosine 20V, Negative-QTOFsplash10-08fr-0930000000-f627dab69557ed7e6fab2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Methylguanosine 40V, Negative-QTOFsplash10-0a4i-0910000000-ffbe3bfae3890606e9ef2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Methylguanosine 10V, Positive-QTOFsplash10-014i-0940000000-cdf8a532f9a4c0deef482016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Methylguanosine 20V, Positive-QTOFsplash10-014i-0900000000-e8970970eb1ddb9b37bd2016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Methylguanosine 40V, Positive-QTOFsplash10-0aor-0900000000-f7ea94f03c9a16bf02d42016-06-03Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2021-10-10Wishart LabView Spectrum
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2021-10-10Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Breast Milk
  • Feces
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.0461 +/- 0.0569 uMAdult (>18 years old)Both
Normal
details
BloodDetected and Quantified0.046 +/- 0.019 uMAdult (>18 years old)BothNormal details
Breast MilkDetected and Quantified0.68+/- 0.18 uMAdult (>18 years old)FemaleNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified0.86 +/- 0.22 umol/mmol creatinineAdult (>18 years old)Not SpecifiedNormal details
UrineDetected and Quantified2.4 +/- 0.7 umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.099 +/- 0.021 uMAdult (>18 years old)Both
Kidney disease
details
BloodDetected and Quantified0.140 +/- 0.0801 uMAdult (>18 years old)Both
Uremia
details
BloodDetected and Quantified0.078 +/- 0.010 uMAdult (>18 years old)Both
Uremia
details
BloodDetected and Quantified0.140 +/- 0.020 uMAdult (>18 years old)BothUremia details
BloodDetected and Quantified0.120 +/- 0.020 uMAdult (>18 years old)Both
Uremia
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
UrineDetected and Quantified0.97 +/- 0.33 umol/mmol creatinineAdult (>18 years old)Not SpecifiedBreast cancer details
UrineDetected and Quantified9.5 +/- 0.8 umol/mmol creatinineAdult (>18 years old)BothUremia 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. 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. 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 ]
Colorectal cancer
  1. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Perillyl alcohol administration for cancer treatment
  1. Zheng YF, Kong HW, Xiong JH, Lv S, Xu GW: Clinical significance and prognostic value of urinary nucleosides in breast cancer patients. Clin Biochem. 2005 Jan;38(1):24-30. [PubMed:15607313 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022690
KNApSAcK IDNot Available
Chemspider ID86996
KEGG Compound IDC04545
BioCyc IDCPD0-1043
BiGG IDNot Available
Wikipedia Link7-Methylguanosine
METLIN ID6324
PubChem Compound96373
PDB IDNot Available
ChEBI ID19062
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000337
Good Scents IDNot Available
References
Synthesis ReferenceErmolinsky Boris S; Efimtseva Ekaterina V; Alexeev Cyrill S; Mikhailov Sergey N; Balzarini Jan; De Clercq Erik Dinucleoside monophosphates containing AZT and 1-methyladenosine or 7-methylguanosine. Nucleosides, nucleotides & nucleic acids (2003), 22(5-8), 853-5.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Liebich HM, Di Stefano C, Wixforth A, Schmid HR: Quantitation of urinary nucleosides by high-performance liquid chromatography. J Chromatogr A. 1997 Feb 28;763(1-2):193-7. [PubMed:9129323 ]
  2. Heldman DA, Grever MR, Miser JS, Trewyn RW: Relationship of urinary excretion of modified nucleosides to disease status in childhood acute lymphoblastic leukemia. J Natl Cancer Inst. 1983 Aug;71(2):269-73. [PubMed:6576186 ]
  3. Szabo LD, Keresztes P, Pallos JP, Csato E, Predmerszky T: Study of nucleic acid metabolism in two astronauts. Adv Space Res. 1984;4(10):15-8. [PubMed:11539621 ]