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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-09-22 18:34:15 UTC

HMDB ID

HMDB0001107

Secondary Accession Numbers

HMDB01107

Metabolite Identification

Common Name

7-Methylguanosine

Description

7-methylguanosine is an endogenous methylated nucleoside found in human fluids; methylated purine bases are present in higher amounts in tumor-bearing patients compared to healthy controls.DNA hypermethylation is a common finding in malignant cells and has been explored as a therapeutic target for hypomethylating agents. When chemical bonds to DNA, the DNA becomes damaged and proper and complete replication cannot occur to make the normal intended cell. A DNA adduct is an abnormal piece of DNA covalently-bonded to a cancer-causing chemical. This has shown to be the start of a cancerous cell, or carcinogenesis. DNA adducts in scientific experiments are used as bio-markers and as such are themselves measured to reflect quantitatively, for comparison, the amount of cancer in the subject. 7-Methylguanosine is a substrate for purine-nucleoside phosphorylase and Eukaryotic translation initiation factor 4E. (PMID:3506820 , 17044778 , 17264127 , 16799933 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0001107
     RDKit          3D
7-Methylguanosine
 37 39  0  0  0  0  0  0  0  0999 V2000
   -3.5358   -2.8002   -1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120   -1.7886   -0.7329 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1919   -2.0118   -0.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5391   -0.8681   -0.3173 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.8776   -0.7577   -0.1105 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1935   -0.0647    1.0729 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5885   -0.0833    0.9838 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2367    0.7042    2.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6163    0.6196    1.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8050    0.5607   -0.3699 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9824    0.1556   -0.9513 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5861    0.0526   -1.1494 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9969   -0.8427   -2.1597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    0.0976   -0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3610    1.4007   -0.0487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568    2.1857   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3311    3.5958    0.1878 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6567    1.6342   -0.3150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8278    0.3223   -0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9513   -0.1921   -0.7913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7066   -0.4708   -0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2979   -2.3761   -1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9759   -3.1593   -0.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0072   -3.6716   -1.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681   -3.0209   -0.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3432   -1.7379   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8872   -1.1480    0.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232    1.7515    2.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9814    0.2237    3.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9100   -0.3175    1.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7471    1.6582   -0.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6414    0.8825   -0.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0109    0.8855   -1.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2699   -1.4655   -2.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136    1.8026    0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5988    3.9952    0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9906    4.2488   -0.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  4 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21  2  1  0
 12  5  1  0
 21 14  2  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  5 26  1  1
  7 27  1  6
  8 28  1  0
  8 29  1  0
  9 30  1  0
 10 31  1  1
 11 32  1  0
 12 33  1  6
 13 34  1  0
 15 35  1  0
 17 36  1  0
 17 37  1  0
M  CHG  1   4   1
M  END

  Mrv1652305271900012D          

 21 23  0  0  1  0            999 V2000
    0.5576   -2.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3027   -1.6349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7876   -0.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3027   -0.3000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4819   -0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4819   -1.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964   -1.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964   -2.6174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9109   -1.3799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9109   -0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964   -0.1424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6253   -0.1424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5576    0.4846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3423    0.7396    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3423    1.5646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5576    1.8195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0727    1.1521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3027    2.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547    3.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0097    2.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0097    0.2547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  6  0  0  0
 16 18  1  6  0  0  0
 18 19  1  0  0  0  0
 15 20  1  1  0  0  0
 14 21  1  1  0  0  0
M  CHG  1   4   1
M  END
> <DATABASE_ID>
HMDB0001107

> <DATABASE_NAME>
hmdb

> <SMILES>
CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2

> <INCHI_IDENTIFIER>
InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1

> <INCHI_KEY>
OGHAROSJZRTIOK-KQYNXXCUSA-O

> <FORMULA>
C11H16N5O5

> <MOLECULAR_WEIGHT>
298.2752

> <EXACT_MASS>
298.115143647

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
28.471549334789664

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-6-oxo-6,7-dihydro-3H-9lambda5-purin-9-ylium

> <ALOGPS_LOGP>
-1.43

> <JCHEM_LOGP>
-6.202784917138413

> <ALOGPS_LOGS>
-1.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.720656395523086

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.008217314888612

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9841648924777244

> <JCHEM_POLAR_SURFACE_AREA>
146.21

> <JCHEM_REFRACTIVITY>
69.38040000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.61e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-6-oxo-3H-9lambda5-purin-9-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001107
     RDKit          3D
7-Methylguanosine
 37 39  0  0  0  0  0  0  0  0999 V2000
   -3.5358   -2.8002   -1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120   -1.7886   -0.7329 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1919   -2.0118   -0.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5391   -0.8681   -0.3173 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.8776   -0.7577   -0.1105 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1935   -0.0647    1.0729 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5885   -0.0833    0.9838 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2367    0.7042    2.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6163    0.6196    1.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8050    0.5607   -0.3699 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9824    0.1556   -0.9513 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5861    0.0526   -1.1494 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9969   -0.8427   -2.1597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    0.0976   -0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3610    1.4007   -0.0487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568    2.1857   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3311    3.5958    0.1878 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6567    1.6342   -0.3150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8278    0.3223   -0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9513   -0.1921   -0.7913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7066   -0.4708   -0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2979   -2.3761   -1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9759   -3.1593   -0.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0072   -3.6716   -1.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681   -3.0209   -0.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3432   -1.7379   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8872   -1.1480    0.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232    1.7515    2.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9814    0.2237    3.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9100   -0.3175    1.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7471    1.6582   -0.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6414    0.8825   -0.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0109    0.8855   -1.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2699   -1.4655   -2.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136    1.8026    0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5988    3.9952    0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9906    4.2488   -0.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  4 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21  2  1  0
 12  5  1  0
 21 14  2  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  5 26  1  1
  7 27  1  6
  8 28  1  0
  8 29  1  0
  9 30  1  0
 10 31  1  1
 11 32  1  0
 12 33  1  6
 13 34  1  0
 15 35  1  0
 17 36  1  0
 17 37  1  0
M  CHG  1   4   1
M  END

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  C   UNK     0       1.041  -4.516   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       0.565  -3.052   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       1.470  -1.806   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       0.565  -0.560   0.000  0.00  0.00           N+1
HETATM    5  C   UNK     0      -0.900  -1.036   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.900  -2.576   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.233  -3.346   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.233  -4.886   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      -3.567  -2.576   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -3.567  -1.036   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -2.233  -0.266   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      -4.901  -0.266   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       1.041   0.905   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.506   1.381   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.506   2.921   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.041   3.396   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.136   2.151   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       0.565   4.861   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.595   6.005   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       3.751   3.826   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       3.751   0.475   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   13                                                  
CONECT    5    4    6   11                                                  
CONECT    6    5    2    7                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10    5                                                       
CONECT   12   10                                                            
CONECT   13    4   14   17                                                  
CONECT   14   13   15   21                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16   13                                                       
CONECT   18   16   19                                                       
CONECT   19   18                                                            
CONECT   20   15                                                            
CONECT   21   14                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

COMPND    HMDB0001107
HETATM    1  C1  UNL     1      -3.536  -2.800  -1.037  1.00  0.00           C  
HETATM    2  N1  UNL     1      -2.512  -1.789  -0.733  1.00  0.00           N  
HETATM    3  C2  UNL     1      -1.192  -2.012  -0.595  1.00  0.00           C  
HETATM    4  N2  UNL     1      -0.539  -0.868  -0.317  1.00  0.00           N1+
HETATM    5  C3  UNL     1       0.878  -0.758  -0.111  1.00  0.00           C  
HETATM    6  O1  UNL     1       1.193  -0.065   1.073  1.00  0.00           O  
HETATM    7  C4  UNL     1       2.589  -0.083   0.984  1.00  0.00           C  
HETATM    8  C5  UNL     1       3.237   0.704   2.093  1.00  0.00           C  
HETATM    9  O2  UNL     1       4.616   0.620   1.909  1.00  0.00           O  
HETATM   10  C6  UNL     1       2.805   0.561  -0.370  1.00  0.00           C  
HETATM   11  O3  UNL     1       3.982   0.156  -0.951  1.00  0.00           O  
HETATM   12  C7  UNL     1       1.586   0.053  -1.149  1.00  0.00           C  
HETATM   13  O4  UNL     1       1.997  -0.843  -2.160  1.00  0.00           O  
HETATM   14  C8  UNL     1      -1.475   0.098  -0.281  1.00  0.00           C  
HETATM   15  N3  UNL     1      -1.361   1.401  -0.049  1.00  0.00           N  
HETATM   16  C9  UNL     1      -2.457   2.186  -0.064  1.00  0.00           C  
HETATM   17  N4  UNL     1      -2.331   3.596   0.188  1.00  0.00           N  
HETATM   18  N5  UNL     1      -3.657   1.634  -0.315  1.00  0.00           N  
HETATM   19  C10 UNL     1      -3.828   0.322  -0.556  1.00  0.00           C  
HETATM   20  O5  UNL     1      -4.951  -0.192  -0.791  1.00  0.00           O  
HETATM   21  C11 UNL     1      -2.707  -0.471  -0.539  1.00  0.00           C  
HETATM   22  H1  UNL     1      -4.298  -2.376  -1.717  1.00  0.00           H  
HETATM   23  H2  UNL     1      -3.976  -3.159  -0.075  1.00  0.00           H  
HETATM   24  H3  UNL     1      -3.007  -3.672  -1.474  1.00  0.00           H  
HETATM   25  H4  UNL     1      -0.768  -3.021  -0.706  1.00  0.00           H  
HETATM   26  H5  UNL     1       1.343  -1.738  -0.032  1.00  0.00           H  
HETATM   27  H6  UNL     1       2.887  -1.148   0.994  1.00  0.00           H  
HETATM   28  H7  UNL     1       2.923   1.751   2.016  1.00  0.00           H  
HETATM   29  H8  UNL     1       2.981   0.224   3.049  1.00  0.00           H  
HETATM   30  H9  UNL     1       4.910  -0.317   1.802  1.00  0.00           H  
HETATM   31  H10 UNL     1       2.747   1.658  -0.212  1.00  0.00           H  
HETATM   32  H11 UNL     1       4.641   0.882  -0.840  1.00  0.00           H  
HETATM   33  H12 UNL     1       1.011   0.885  -1.558  1.00  0.00           H  
HETATM   34  H13 UNL     1       1.270  -1.466  -2.385  1.00  0.00           H  
HETATM   35  H14 UNL     1      -0.414   1.803   0.144  1.00  0.00           H  
HETATM   36  H15 UNL     1      -1.599   3.995   0.811  1.00  0.00           H  
HETATM   37  H16 UNL     1      -2.991   4.249  -0.265  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3   21
CONECT    3    4    4   25
CONECT    4    5   14
CONECT    5    6   12   26
CONECT    6    7
CONECT    7    8   10   27
CONECT    8    9   28   29
CONECT    9   30
CONECT   10   11   12   31
CONECT   11   32
CONECT   12   13   33
CONECT   13   34
CONECT   14   15   21   21
CONECT   15   16   35
CONECT   16   17   18   18
CONECT   17   36   37
CONECT   18   19
CONECT   19   20   20   21
END

HMDB0001107
     RDKit          3D
7-Methylguanosine
 37 39  0  0  0  0  0  0  0  0999 V2000
   -3.5358   -2.8002   -1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5120   -1.7886   -0.7329 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1919   -2.0118   -0.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5391   -0.8681   -0.3173 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.8776   -0.7577   -0.1105 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1935   -0.0647    1.0729 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5885   -0.0833    0.9838 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2367    0.7042    2.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6163    0.6196    1.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8050    0.5607   -0.3699 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9824    0.1556   -0.9513 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5861    0.0526   -1.1494 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9969   -0.8427   -2.1597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    0.0976   -0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3610    1.4007   -0.0487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568    2.1857   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3311    3.5958    0.1878 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6567    1.6342   -0.3150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8278    0.3223   -0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9513   -0.1921   -0.7913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7066   -0.4708   -0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2979   -2.3761   -1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9759   -3.1593   -0.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0072   -3.6716   -1.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681   -3.0209   -0.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3432   -1.7379   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8872   -1.1480    0.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232    1.7515    2.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9814    0.2237    3.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9100   -0.3175    1.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7471    1.6582   -0.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6414    0.8825   -0.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0109    0.8855   -1.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2699   -1.4655   -2.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136    1.8026    0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5988    3.9952    0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9906    4.2488   -0.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  4 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21  2  1  0
 12  5  1  0
 21 14  2  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  5 26  1  1
  7 27  1  6
  8 28  1  0
  8 29  1  0
  9 30  1  0
 10 31  1  1
 11 32  1  0
 12 33  1  6
 13 34  1  0
 15 35  1  0
 17 36  1  0
 17 37  1  0
M  CHG  1   4   1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
G	ChEBI
m7g	ChEBI
N(7)-Methylguanosine	ChEBI
2-amino-6,9-dihydro-7-Methyl-6-oxo-9-beta-D-ribofuranosyl-1H-purinium	HMDB
2-amino-6,9-dihydro-7-Methyl-6-oxo-9-beta-delta-ribofuranosyl-1H-purinium	HMDB
N(2)-Methylguanosine	MeSH, HMDB
2-Methylguanosine	MeSH, HMDB

Chemical Formula

C₁₁H₁₆N₅O₅

Average Molecular Weight

298.2752

Monoisotopic Molecular Weight

298.115143647

IUPAC Name

2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-6-oxo-6,7-dihydro-3H-9lambda5-purin-9-ylium

Traditional Name

2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-6-oxo-3H-9lambda5-purin-9-ylium

CAS Registry Number

20244-86-4

SMILES

CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2

InChI Identifier

InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1

InChI Key

OGHAROSJZRTIOK-KQYNXXCUSA-O

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.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleosides

Sub Class

Not Available

Direct Parent

Purine nucleosides

Alternative Parents

Substituents

Purine nucleoside
Glycosyl compound
N-glycosyl compound
6-oxopurine
Hypoxanthine
Pentose monosaccharide
Imidazopyrimidine
Purine
Aminopyrimidine
Pyrimidone
Monosaccharide
N-substituted imidazole
Pyrimidine
Azole
Imidazole
Heteroaromatic compound
Vinylogous amide
Tetrahydrofuran
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Azacycle
Primary alcohol
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Amine
Alcohol
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Primary amine
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

organic cation (CHEBI:20794 )
methylguanosine (CHEBI:20794 )

Ontology

Not Available

Exogenous (HMDB: HMDB0001107)

Food

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Endogenous

Endogenous (HMDB: HMDB0001107)

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0001107)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	155 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	5.61 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-6.2	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	6.01	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	146.21 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	69.38 m³·mol⁻¹	ChemAxon
Polarizability	28.47 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	168.936	31661259
DarkChem	[M-H]-	165.277	31661259
AllCCS	[M+H]+	165.249	32859911
AllCCS	[M-H]-	167.227	32859911
DeepCCS	[M+H]+	163.601	30932474
DeepCCS	[M-H]-	161.239	30932474
DeepCCS	[M-2H]-	194.849	30932474
DeepCCS	[M+Na]+	169.513	30932474
AllCCS	[M+H]+	165.2	32859911
AllCCS	[M+H-H2O]+	162.0	32859911
AllCCS	[M+NH4]+	168.3	32859911
AllCCS	[M+Na]+	169.1	32859911
AllCCS	[M-H]-	167.2	32859911
AllCCS	[M+Na-2H]-	166.7	32859911
AllCCS	[M+HCOO]-	166.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
7-Methylguanosine	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2	3748.2	Standard polar	33892256
7-Methylguanosine	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2	1676.0	Standard non polar	33892256
7-Methylguanosine	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2	3161.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
7-Methylguanosine,1TMS,isomer #1	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)[NH]2	2827.5	Semi standard non polar	33892256
7-Methylguanosine,1TMS,isomer #2	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N)[NH]2	2840.2	Semi standard non polar	33892256
7-Methylguanosine,1TMS,isomer #3	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N)[NH]2	2837.2	Semi standard non polar	33892256
7-Methylguanosine,1TMS,isomer #4	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C)[NH]2	2873.1	Semi standard non polar	33892256
7-Methylguanosine,1TMS,isomer #5	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2[Si](C)(C)C	2881.5	Semi standard non polar	33892256
7-Methylguanosine,2TMS,isomer #1	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N)[NH]2	2768.1	Semi standard non polar	33892256
7-Methylguanosine,2TMS,isomer #10	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2884.1	Semi standard non polar	33892256
7-Methylguanosine,2TMS,isomer #11	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2771.3	Semi standard non polar	33892256
7-Methylguanosine,2TMS,isomer #2	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N)[NH]2	2783.5	Semi standard non polar	33892256
7-Methylguanosine,2TMS,isomer #3	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C)[NH]2	2771.5	Semi standard non polar	33892256
7-Methylguanosine,2TMS,isomer #4	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2[Si](C)(C)C	2825.6	Semi standard non polar	33892256
7-Methylguanosine,2TMS,isomer #5	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N)[NH]2	2772.9	Semi standard non polar	33892256
7-Methylguanosine,2TMS,isomer #6	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C)[NH]2	2789.1	Semi standard non polar	33892256
7-Methylguanosine,2TMS,isomer #7	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N)N2[Si](C)(C)C	2855.0	Semi standard non polar	33892256
7-Methylguanosine,2TMS,isomer #8	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)[NH]2	2791.0	Semi standard non polar	33892256
7-Methylguanosine,2TMS,isomer #9	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N)N2[Si](C)(C)C	2853.1	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #1	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N)[NH]2	2721.3	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #10	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2838.1	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #11	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2769.9	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #12	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2837.4	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #13	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2755.1	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #14	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2884.9	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #2	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C)[NH]2	2730.2	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #3	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N)N2[Si](C)(C)C	2786.3	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #4	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)[NH]2	2730.5	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #5	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N)N2[Si](C)(C)C	2796.8	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #6	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2818.8	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #7	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2752.4	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #8	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)[NH]2	2735.4	Semi standard non polar	33892256
7-Methylguanosine,3TMS,isomer #9	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N)N2[Si](C)(C)C	2804.3	Semi standard non polar	33892256
7-Methylguanosine,4TMS,isomer #1	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)[NH]2	2748.1	Semi standard non polar	33892256
7-Methylguanosine,4TMS,isomer #1	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)[NH]2	3025.7	Standard non polar	33892256
7-Methylguanosine,4TMS,isomer #1	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)[NH]2	3538.4	Standard polar	33892256
7-Methylguanosine,4TMS,isomer #10	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2888.3	Semi standard non polar	33892256
7-Methylguanosine,4TMS,isomer #10	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3179.1	Standard non polar	33892256
7-Methylguanosine,4TMS,isomer #10	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3459.0	Standard polar	33892256
7-Methylguanosine,4TMS,isomer #11	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2884.8	Semi standard non polar	33892256
7-Methylguanosine,4TMS,isomer #11	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3192.7	Standard non polar	33892256
7-Methylguanosine,4TMS,isomer #11	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3492.0	Standard polar	33892256
7-Methylguanosine,4TMS,isomer #2	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N)N2[Si](C)(C)C	2764.9	Semi standard non polar	33892256
7-Methylguanosine,4TMS,isomer #2	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N)N2[Si](C)(C)C	3000.1	Standard non polar	33892256
7-Methylguanosine,4TMS,isomer #2	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N)N2[Si](C)(C)C	3862.1	Standard polar	33892256
7-Methylguanosine,4TMS,isomer #3	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2799.0	Semi standard non polar	33892256
7-Methylguanosine,4TMS,isomer #3	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	3078.2	Standard non polar	33892256
7-Methylguanosine,4TMS,isomer #3	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	3547.7	Standard polar	33892256
7-Methylguanosine,4TMS,isomer #4	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2773.0	Semi standard non polar	33892256
7-Methylguanosine,4TMS,isomer #4	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	3122.5	Standard non polar	33892256
7-Methylguanosine,4TMS,isomer #4	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	3429.6	Standard polar	33892256
7-Methylguanosine,4TMS,isomer #5	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2798.3	Semi standard non polar	33892256
7-Methylguanosine,4TMS,isomer #5	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	3097.3	Standard non polar	33892256
7-Methylguanosine,4TMS,isomer #5	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	3584.0	Standard polar	33892256
7-Methylguanosine,4TMS,isomer #6	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2771.6	Semi standard non polar	33892256
7-Methylguanosine,4TMS,isomer #6	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	3135.3	Standard non polar	33892256
7-Methylguanosine,4TMS,isomer #6	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	3471.5	Standard polar	33892256
7-Methylguanosine,4TMS,isomer #7	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2852.9	Semi standard non polar	33892256
7-Methylguanosine,4TMS,isomer #7	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3219.7	Standard non polar	33892256
7-Methylguanosine,4TMS,isomer #7	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3586.1	Standard polar	33892256
7-Methylguanosine,4TMS,isomer #8	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2814.6	Semi standard non polar	33892256
7-Methylguanosine,4TMS,isomer #8	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	3083.9	Standard non polar	33892256
7-Methylguanosine,4TMS,isomer #8	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	3514.7	Standard polar	33892256
7-Methylguanosine,4TMS,isomer #9	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2786.5	Semi standard non polar	33892256
7-Methylguanosine,4TMS,isomer #9	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	3118.0	Standard non polar	33892256
7-Methylguanosine,4TMS,isomer #9	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	3396.9	Standard polar	33892256
7-Methylguanosine,5TMS,isomer #1	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2825.0	Semi standard non polar	33892256
7-Methylguanosine,5TMS,isomer #1	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	3078.5	Standard non polar	33892256
7-Methylguanosine,5TMS,isomer #1	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	3307.9	Standard polar	33892256
7-Methylguanosine,5TMS,isomer #2	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2816.8	Semi standard non polar	33892256
7-Methylguanosine,5TMS,isomer #2	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	3132.0	Standard non polar	33892256
7-Methylguanosine,5TMS,isomer #2	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	3193.3	Standard polar	33892256
7-Methylguanosine,5TMS,isomer #3	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2876.3	Semi standard non polar	33892256
7-Methylguanosine,5TMS,isomer #3	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3187.3	Standard non polar	33892256
7-Methylguanosine,5TMS,isomer #3	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3216.6	Standard polar	33892256
7-Methylguanosine,5TMS,isomer #4	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2883.4	Semi standard non polar	33892256
7-Methylguanosine,5TMS,isomer #4	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3206.1	Standard non polar	33892256
7-Methylguanosine,5TMS,isomer #4	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3252.5	Standard polar	33892256
7-Methylguanosine,5TMS,isomer #5	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2901.6	Semi standard non polar	33892256
7-Methylguanosine,5TMS,isomer #5	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3204.8	Standard non polar	33892256
7-Methylguanosine,5TMS,isomer #5	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3188.2	Standard polar	33892256
7-Methylguanosine,6TMS,isomer #1	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2929.4	Semi standard non polar	33892256
7-Methylguanosine,6TMS,isomer #1	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3174.6	Standard non polar	33892256
7-Methylguanosine,6TMS,isomer #1	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3050.2	Standard polar	33892256
7-Methylguanosine,1TBDMS,isomer #1	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)[NH]2	3076.5	Semi standard non polar	33892256
7-Methylguanosine,1TBDMS,isomer #2	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N)[NH]2	3066.2	Semi standard non polar	33892256
7-Methylguanosine,1TBDMS,isomer #3	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)N=C(N)[NH]2	3068.9	Semi standard non polar	33892256
7-Methylguanosine,1TBDMS,isomer #4	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3064.5	Semi standard non polar	33892256
7-Methylguanosine,1TBDMS,isomer #5	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3097.1	Semi standard non polar	33892256
7-Methylguanosine,2TBDMS,isomer #1	CN1C=[N+]([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)C2=C1C(=O)N=C(N)[NH]2	3207.4	Semi standard non polar	33892256
7-Methylguanosine,2TBDMS,isomer #10	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3297.4	Semi standard non polar	33892256
7-Methylguanosine,2TBDMS,isomer #11	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3233.4	Semi standard non polar	33892256
7-Methylguanosine,2TBDMS,isomer #2	CN1C=[N+]([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)C2=C1C(=O)N=C(N)[NH]2	3210.4	Semi standard non polar	33892256
7-Methylguanosine,2TBDMS,isomer #3	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3210.6	Semi standard non polar	33892256
7-Methylguanosine,2TBDMS,isomer #4	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3274.1	Semi standard non polar	33892256
7-Methylguanosine,2TBDMS,isomer #5	CN1C=[N+]([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)C2=C1C(=O)N=C(N)[NH]2	3191.9	Semi standard non polar	33892256
7-Methylguanosine,2TBDMS,isomer #6	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3201.3	Semi standard non polar	33892256
7-Methylguanosine,2TBDMS,isomer #7	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3276.2	Semi standard non polar	33892256
7-Methylguanosine,2TBDMS,isomer #8	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3198.6	Semi standard non polar	33892256
7-Methylguanosine,2TBDMS,isomer #9	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3272.4	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #1	CN1C=[N+]([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)C2=C1C(=O)N=C(N)[NH]2	3336.2	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #10	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3456.2	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #11	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3405.5	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #12	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3460.4	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #13	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3400.9	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #14	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3479.6	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #2	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3384.2	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #3	CN1C=[N+]([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)C2=C1C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3443.0	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #4	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3384.0	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #5	CN1C=[N+]([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)C2=C1C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3452.0	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #6	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3459.4	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #7	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3393.1	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #8	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3358.0	Semi standard non polar	33892256
7-Methylguanosine,3TBDMS,isomer #9	CN1C=[N+]([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)C2=C1C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3435.2	Semi standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #1	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3536.7	Semi standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #1	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3842.8	Standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #1	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3810.1	Standard polar	33892256
7-Methylguanosine,4TBDMS,isomer #10	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3664.2	Semi standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #10	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3967.4	Standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #10	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3659.7	Standard polar	33892256
7-Methylguanosine,4TBDMS,isomer #11	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3667.1	Semi standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #11	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3978.3	Standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #11	CN1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3684.7	Standard polar	33892256
7-Methylguanosine,4TBDMS,isomer #2	CN1C=[N+]([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)C2=C1C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3612.7	Semi standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #2	CN1C=[N+]([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)C2=C1C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3780.9	Standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #2	CN1C=[N+]([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)C2=C1C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	4003.7	Standard polar	33892256
7-Methylguanosine,4TBDMS,isomer #3	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3620.1	Semi standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #3	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3867.3	Standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #3	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3775.9	Standard polar	33892256
7-Methylguanosine,4TBDMS,isomer #4	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3574.9	Semi standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #4	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3940.9	Standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #4	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3677.6	Standard polar	33892256
7-Methylguanosine,4TBDMS,isomer #5	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3624.8	Semi standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #5	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3882.9	Standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #5	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3800.4	Standard polar	33892256
7-Methylguanosine,4TBDMS,isomer #6	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3569.2	Semi standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #6	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3953.7	Standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #6	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3706.9	Standard polar	33892256
7-Methylguanosine,4TBDMS,isomer #7	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3657.6	Semi standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #7	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3984.1	Standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #7	CN1C=[N+]([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3750.4	Standard polar	33892256
7-Methylguanosine,4TBDMS,isomer #8	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3604.0	Semi standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #8	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3876.9	Standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #8	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3752.4	Standard polar	33892256
7-Methylguanosine,4TBDMS,isomer #9	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3564.1	Semi standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #9	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3941.6	Standard non polar	33892256
7-Methylguanosine,4TBDMS,isomer #9	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3653.5	Standard polar	33892256
7-Methylguanosine,5TBDMS,isomer #1	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3756.6	Semi standard non polar	33892256
7-Methylguanosine,5TBDMS,isomer #1	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3999.4	Standard non polar	33892256
7-Methylguanosine,5TBDMS,isomer #1	CN1C=[N+]([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)C2=C1C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3690.6	Standard polar	33892256
7-Methylguanosine,5TBDMS,isomer #2	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3729.4	Semi standard non polar	33892256
7-Methylguanosine,5TBDMS,isomer #2	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	4079.4	Standard non polar	33892256
7-Methylguanosine,5TBDMS,isomer #2	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3588.8	Standard polar	33892256
7-Methylguanosine,5TBDMS,isomer #3	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3838.4	Semi standard non polar	33892256
7-Methylguanosine,5TBDMS,isomer #3	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4104.2	Standard non polar	33892256
7-Methylguanosine,5TBDMS,isomer #3	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3580.3	Standard polar	33892256
7-Methylguanosine,5TBDMS,isomer #4	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3839.0	Semi standard non polar	33892256
7-Methylguanosine,5TBDMS,isomer #4	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4123.4	Standard non polar	33892256
7-Methylguanosine,5TBDMS,isomer #4	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3603.3	Standard polar	33892256
7-Methylguanosine,5TBDMS,isomer #5	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3843.8	Semi standard non polar	33892256
7-Methylguanosine,5TBDMS,isomer #5	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4121.8	Standard non polar	33892256
7-Methylguanosine,5TBDMS,isomer #5	CN1C=[N+]([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)C2=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3561.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methylguanosine GC-MS (Non-derivatized) - 70eV, Positive	splash10-004l-7490000000-25f4400703ded15175af	2017-08-28	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methylguanosine GC-MS (3 TMS) - 70eV, Positive	splash10-0a71-9602300000-28a0b9e22a4d9107eecc	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methylguanosine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methylguanosine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - 7-Methylguanosine Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-014i-0920000000-f380f5b5ae1c6d006622	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 7-Methylguanosine Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-014i-0900000000-4b027f424e6fda6ac5e7	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 7-Methylguanosine Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-00kb-0900000000-f6e41ae90d0d537e5c37	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 7-Methylguanosine 40V, Positive-QTOF	splash10-014i-0900000000-ef3a6eca6ca4a5c643d3	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 7-Methylguanosine 40V, Positive-QTOF	splash10-014i-0900000000-1331e6ba04657b4693b4	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 7-Methylguanosine 10V, Positive-QTOF	splash10-014i-0920000000-a30f275ae277e41809eb	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 7-Methylguanosine 20V, Positive-QTOF	splash10-014i-0900000000-2dd6635ba6023cecb388	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methylguanosine 10V, Positive-QTOF	splash10-0002-0090000000-2168dc01c81274bd0a36	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methylguanosine 20V, Positive-QTOF	splash10-000i-3090000000-139798febce24d971377	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methylguanosine 40V, Positive-QTOF	splash10-006x-9720000000-3ec4fc5a6820e1393195	2017-07-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methylguanosine 10V, Negative-QTOF	splash10-0002-0090000000-8158855cfe3f6155e791	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methylguanosine 20V, Negative-QTOF	splash10-000t-1490000000-9d89b248d7c16e9713a3	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methylguanosine 40V, Negative-QTOF	splash10-0006-9110000000-0d0610ddbc1f29ed8c2f	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methylguanosine 10V, Positive-QTOF	splash10-014i-0930000000-a027b5082f87f83617de	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methylguanosine 20V, Positive-QTOF	splash10-014i-0900000000-69707776c4ea39129157	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methylguanosine 40V, Positive-QTOF	splash10-014i-1900000000-4043fc0f3abc38c203e1	2021-09-21	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Experimental 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2021-10-10	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB03493

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022428

KNApSAcK ID

C00051958

Chemspider ID

393054

KEGG Compound ID

Not Available

BioCyc ID

CPD0-1041

BiGG ID

Not Available

Wikipedia Link

7-Methylguanosine

METLIN ID

6008

PubChem Compound

445404

PDB ID

Not Available

ChEBI ID

20794

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Reynaud C, Bruno C, Boullanger P, Grange J, Barbesti S, Niveleau A: Monitoring of urinary excretion of modified nucleosides in cancer patients using a set of six monoclonal antibodies. Cancer Lett. 1992 Jan 31;61(3):255-62. [PubMed:1739950 ]
Topp H, Sander G, Heller-Schoch G, Schoch G: Determination of 7-methylguanine, N2,N2-dimethylguanosine, and pseudouridine in ultrafiltrated serum of healthy adults by high-performance liquid chromatography. Anal Biochem. 1987 Feb 15;161(1):49-56. [PubMed:2437827 ]
Tebib JG, Reynaud C, Cedoz JP, Letroublon MC, Niveleau A: Relationship between urinary excretion of modified nucleosides and rheumatoid arthritis process. Br J Rheumatol. 1997 Sep;36(9):990-5. [PubMed:9376997 ]
Morris GS, Simmonds HA, Davies PM: Use of biological fluids for the rapid diagnosis of potentially lethal inherited disorders of human purine and pyrimidine metabolism. Biomed Chromatogr. 1986 Jun;1(3):109-18. [PubMed:3506820 ]
Cho SH, Jung BH, Lee SH, Lee WY, Kong G, Chung BC: Direct determination of nucleosides in the urine of patients with breast cancer using column-switching liquid chromatography-tandem mass spectrometry. Biomed Chromatogr. 2006 Nov;20(11):1229-36. [PubMed:16799933 ]
Yang TH, Hu ML: Intracellular levels of S-adenosylhomocysteine but not homocysteine are highly correlated to the expression of nm23-H1 and the level of 5-methyldeoxycytidine in human hepatoma cells with different invasion activities. Nutr Cancer. 2006;55(2):224-31. [PubMed:17044778 ]
Liu Z, Liu S, Xie Z, Blum W, Perrotti D, Paschka P, Klisovic R, Byrd J, Chan KK, Marcucci G: Characterization of in vitro and in vivo hypomethylating effects of decitabine in acute myeloid leukemia by a rapid, specific and sensitive LC-MS/MS method. Nucleic Acids Res. 2007;35(5):e31. Epub 2007 Jan 30. [PubMed:17264127 ]

Showing metabocard for 7-Methylguanosine (HMDB0001107)

MOL for HMDB0001107 (7-Methylguanosine)

3D MOL for HMDB0001107 (7-Methylguanosine)

3D SDF for HMDB0001107 (7-Methylguanosine)

3D-SDF for HMDB0001107 (7-Methylguanosine)

PDB for HMDB0001107 (7-Methylguanosine)

3D PDB for HMDB0001107 (7-Methylguanosine)

SMILES for HMDB0001107 (7-Methylguanosine)

INCHI for HMDB0001107 (7-Methylguanosine)

Structure for HMDB0001107 (7-Methylguanosine)

3D Structure for HMDB0001107 (7-Methylguanosine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra