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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 00:56:40 UTC

Update Date

2021-09-26 22:57:42 UTC

HMDB ID

HMDB0247809

Secondary Accession Numbers

None

Metabolite Identification

Common Name

7-Methyl-2'-deoxyguanosine-3'-monophosphate

Description

7-Methyl-2'-deoxyguanosine-3'-monophosphate belongs to the class of organic compounds known as ribonucleoside 3'-phosphates. These are ribonucleosides that contain a phosphate group attached to the C-3 carbon of the ribose or deoxyribose moiety. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. Based on a literature review a small amount of articles have been published on 7-Methyl-2'-deoxyguanosine-3'-monophosphate. This compound has been identified in human blood as reported by (PMID: 31557052 ). 7-methyl-2'-deoxyguanosine-3'-monophosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 7-Methyl-2'-deoxyguanosine-3'-monophosphate is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

HMDB0247809
     RDKit          3D
7-Methyl-2'-deoxyguanosine-3'-monophosphate
 42 44  0  0  0  0  0  0  0  0999 V2000
   -3.9287   -2.9674    0.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270   -2.0253    0.2743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4997   -2.2306    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9094   -0.9081    0.1105 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4702   -0.6384    0.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8579    0.7947    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3813    0.6789    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0340    0.8607    1.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2062    2.0731    1.2190 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9653    3.0231    2.3716 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7671    1.4470    1.4006 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0883    2.8634   -0.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5208   -0.7846   -0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3817   -0.9264   -1.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4157   -2.2762   -1.8734 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2607   -1.2537   -0.5923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9622   -0.0171   -0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9095    1.2777   -0.6974 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709    1.8821   -1.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0968    3.2487   -1.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384    1.2337   -0.9125 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3516   -0.0435   -0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4371   -0.6621   -0.4155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -0.6963   -0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5976   -2.5247    1.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4236   -3.8393    1.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5228   -3.2421   -0.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -2.7602    1.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2336   -2.7872   -0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963   -1.0269    1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6394    1.4219    1.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668    1.2071   -0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271    1.3544   -0.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0099    0.8684    0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1987    3.2959   -0.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9480   -1.4008    0.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623   -0.3760   -2.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4231   -0.5439   -1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2489   -2.8726   -1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2799    3.6996   -1.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9421    3.8468   -1.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1357    1.7261   -1.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  9 12  1  0
  7 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
  4 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24  2  1  0
 16  5  1  0
 24 17  2  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  3 29  1  0
  5 30  1  0
  6 31  1  0
  6 32  1  0
  7 33  1  0
 11 34  1  0
 12 35  1  0
 13 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  0
 20 40  1  0
 20 41  1  0
 21 42  1  0
M  END

  Mrv1652309112102562D          

 24 26  0  0  0  0            999 V2000
   -0.3984    0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865   -2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -3.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8505   -3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -3.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -4.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6635   -4.4410    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4704   -4.6126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4919   -5.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8350   -3.6341    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  1  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  1  0  0  0  0
 10 11  2  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  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0247809

> <DATABASE_NAME>
hmdb

> <SMILES>
CN1CN(C2CC(OP(O)(O)=O)C(CO)O2)C2=C1C(=O)NC(N)=N2

> <INCHI_IDENTIFIER>
InChI=1S/C11H18N5O7P/c1-15-4-16(9-8(15)10(18)14-11(12)13-9)7-2-5(6(3-17)22-7)23-24(19,20)21/h5-7,17H,2-4H2,1H3,(H2,19,20,21)(H3,12,13,14,18)

> <INCHI_KEY>
CLJOXQUSZMKJPT-UHFFFAOYSA-N

> <FORMULA>
C11H18N5O7P

> <MOLECULAR_WEIGHT>
363.267

> <EXACT_MASS>
363.094384938

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
32.929243292281754

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[5-(2-amino-7-methyl-6-oxo-6,7,8,9-tetrahydro-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-2.03

> <JCHEM_LOGP>
-2.1641843710224054

> <ALOGPS_LOGS>
-1.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.114657357614636

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.9402908259620149

> <JCHEM_PKA_STRONGEST_BASIC>
1.6197997802210184

> <JCHEM_POLAR_SURFACE_AREA>
170.17999999999998

> <JCHEM_REFRACTIVITY>
88.7503

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.70e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[5-(2-amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0247809
     RDKit          3D
7-Methyl-2'-deoxyguanosine-3'-monophosphate
 42 44  0  0  0  0  0  0  0  0999 V2000
   -3.9287   -2.9674    0.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270   -2.0253    0.2743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4997   -2.2306    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9094   -0.9081    0.1105 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4702   -0.6384    0.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8579    0.7947    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3813    0.6789    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0340    0.8607    1.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2062    2.0731    1.2190 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9653    3.0231    2.3716 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7671    1.4470    1.4006 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0883    2.8634   -0.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5208   -0.7846   -0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3817   -0.9264   -1.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4157   -2.2762   -1.8734 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2607   -1.2537   -0.5923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9622   -0.0171   -0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9095    1.2777   -0.6974 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709    1.8821   -1.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0968    3.2487   -1.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384    1.2337   -0.9125 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3516   -0.0435   -0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4371   -0.6621   -0.4155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -0.6963   -0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5976   -2.5247    1.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4236   -3.8393    1.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5228   -3.2421   -0.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -2.7602    1.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2336   -2.7872   -0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963   -1.0269    1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6394    1.4219    1.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668    1.2071   -0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271    1.3544   -0.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0099    0.8684    0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1987    3.2959   -0.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9480   -1.4008    0.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623   -0.3760   -2.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4231   -0.5439   -1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2489   -2.8726   -1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2799    3.6996   -1.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9421    3.8468   -1.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1357    1.7261   -1.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  9 12  1  0
  7 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
  4 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24  2  1  0
 16  5  1  0
 24 17  2  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  3 29  1  0
  5 30  1  0
  6 31  1  0
  6 32  1  0
  7 33  1  0
 11 34  1  0
 12 35  1  0
 13 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  0
 20 40  1  0
 20 41  1  0
 21 42  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      -0.744   1.408   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      -0.268  -0.057   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      -0.268  -2.549   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.530   0.237   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.530   1.777   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0       3.864  -0.533   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       2.530  -2.843   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       5.198  -2.843   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -0.744  -4.013   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.161  -5.259   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.744  -6.505   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.208  -6.029   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.208  -4.489   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -3.454  -6.934   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -4.861  -6.308   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -0.268  -7.970   0.000  0.00  0.00           O+0
HETATM   21  P   UNK     0       1.238  -8.290   0.000  0.00  0.00           P+0
HETATM   22  O   UNK     0       2.745  -8.610   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.918  -9.796   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       1.559  -6.784   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                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16   13                                                       
CONECT   18   16   19                                                       
CONECT   19   18                                                            
CONECT   20   15   21                                                       
CONECT   21   20   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

COMPND    HMDB0247809
HETATM    1  C1  UNL     1      -3.929  -2.967   0.727  1.00  0.00           C  
HETATM    2  N1  UNL     1      -2.927  -2.025   0.274  1.00  0.00           N  
HETATM    3  C2  UNL     1      -1.500  -2.231   0.188  1.00  0.00           C  
HETATM    4  N2  UNL     1      -0.909  -0.908   0.110  1.00  0.00           N  
HETATM    5  C3  UNL     1       0.470  -0.638   0.391  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.858   0.795   0.245  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.381   0.679   0.090  1.00  0.00           C  
HETATM    8  O1  UNL     1       3.034   0.861   1.285  1.00  0.00           O  
HETATM    9  P1  UNL     1       4.206   2.073   1.219  1.00  0.00           P  
HETATM   10  O2  UNL     1       3.965   3.023   2.372  1.00  0.00           O  
HETATM   11  O3  UNL     1       5.767   1.447   1.401  1.00  0.00           O  
HETATM   12  O4  UNL     1       4.088   2.863  -0.267  1.00  0.00           O  
HETATM   13  C6  UNL     1       2.521  -0.785  -0.299  1.00  0.00           C  
HETATM   14  C7  UNL     1       3.382  -0.926  -1.542  1.00  0.00           C  
HETATM   15  O5  UNL     1       3.416  -2.276  -1.873  1.00  0.00           O  
HETATM   16  O6  UNL     1       1.261  -1.254  -0.592  1.00  0.00           O  
HETATM   17  C8  UNL     1      -1.962  -0.017  -0.282  1.00  0.00           C  
HETATM   18  N3  UNL     1      -1.910   1.278  -0.697  1.00  0.00           N  
HETATM   19  C9  UNL     1      -3.071   1.882  -1.008  1.00  0.00           C  
HETATM   20  N4  UNL     1      -3.097   3.249  -1.454  1.00  0.00           N  
HETATM   21  N5  UNL     1      -4.238   1.234  -0.913  1.00  0.00           N  
HETATM   22  C10 UNL     1      -4.352  -0.043  -0.509  1.00  0.00           C  
HETATM   23  O7  UNL     1      -5.437  -0.662  -0.415  1.00  0.00           O  
HETATM   24  C11 UNL     1      -3.158  -0.696  -0.180  1.00  0.00           C  
HETATM   25  H1  UNL     1      -4.598  -2.525   1.513  1.00  0.00           H  
HETATM   26  H2  UNL     1      -3.424  -3.839   1.165  1.00  0.00           H  
HETATM   27  H3  UNL     1      -4.523  -3.242  -0.190  1.00  0.00           H  
HETATM   28  H4  UNL     1      -1.145  -2.760   1.118  1.00  0.00           H  
HETATM   29  H5  UNL     1      -1.234  -2.787  -0.717  1.00  0.00           H  
HETATM   30  H6  UNL     1       0.796  -1.027   1.377  1.00  0.00           H  
HETATM   31  H7  UNL     1       0.639   1.422   1.112  1.00  0.00           H  
HETATM   32  H8  UNL     1       0.467   1.207  -0.712  1.00  0.00           H  
HETATM   33  H9  UNL     1       2.727   1.354  -0.723  1.00  0.00           H  
HETATM   34  H10 UNL     1       6.010   0.868   0.629  1.00  0.00           H  
HETATM   35  H11 UNL     1       3.199   3.296  -0.291  1.00  0.00           H  
HETATM   36  H12 UNL     1       2.948  -1.401   0.505  1.00  0.00           H  
HETATM   37  H13 UNL     1       2.962  -0.376  -2.390  1.00  0.00           H  
HETATM   38  H14 UNL     1       4.423  -0.544  -1.342  1.00  0.00           H  
HETATM   39  H15 UNL     1       3.249  -2.873  -1.103  1.00  0.00           H  
HETATM   40  H16 UNL     1      -2.280   3.700  -1.923  1.00  0.00           H  
HETATM   41  H17 UNL     1      -3.942   3.847  -1.324  1.00  0.00           H  
HETATM   42  H18 UNL     1      -5.136   1.726  -1.161  1.00  0.00           H  
CONECT    1    2   25   26   27
CONECT    2    3   24
CONECT    3    4   28   29
CONECT    4    5   17
CONECT    5    6   16   30
CONECT    6    7   31   32
CONECT    7    8   13   33
CONECT    8    9
CONECT    9   10   10   11   12
CONECT   11   34
CONECT   12   35
CONECT   13   14   16   36
CONECT   14   15   37   38
CONECT   15   39
CONECT   17   18   24   24
CONECT   18   19   19
CONECT   19   20   21
CONECT   20   40   41
CONECT   21   22   42
CONECT   22   23   23   24
END

HMDB0247809
     RDKit          3D
7-Methyl-2'-deoxyguanosine-3'-monophosphate
 42 44  0  0  0  0  0  0  0  0999 V2000
   -3.9287   -2.9674    0.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270   -2.0253    0.2743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4997   -2.2306    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9094   -0.9081    0.1105 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4702   -0.6384    0.3908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8579    0.7947    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3813    0.6789    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0340    0.8607    1.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2062    2.0731    1.2190 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.9653    3.0231    2.3716 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7671    1.4470    1.4006 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0883    2.8634   -0.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5208   -0.7846   -0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3817   -0.9264   -1.5419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4157   -2.2762   -1.8734 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2607   -1.2537   -0.5923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9622   -0.0171   -0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9095    1.2777   -0.6974 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709    1.8821   -1.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0968    3.2487   -1.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2384    1.2337   -0.9125 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3516   -0.0435   -0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4371   -0.6621   -0.4155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583   -0.6963   -0.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5976   -2.5247    1.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4236   -3.8393    1.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5228   -3.2421   -0.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448   -2.7602    1.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2336   -2.7872   -0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963   -1.0269    1.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6394    1.4219    1.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668    1.2071   -0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271    1.3544   -0.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0099    0.8684    0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1987    3.2959   -0.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9480   -1.4008    0.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623   -0.3760   -2.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4231   -0.5439   -1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2489   -2.8726   -1.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2799    3.6996   -1.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9421    3.8468   -1.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1357    1.7261   -1.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  9 12  1  0
  7 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
  4 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24  2  1  0
 16  5  1  0
 24 17  2  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  3 29  1  0
  5 30  1  0
  6 31  1  0
  6 32  1  0
  7 33  1  0
 11 34  1  0
 12 35  1  0
 13 36  1  0
 14 37  1  0
 14 38  1  0
 15 39  1  0
 20 40  1  0
 20 41  1  0
 21 42  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
7-Methyl-2'-deoxyguanosine-3'-monophosphoric acid	Generator
{[5-(6-hydroxy-2-imino-7-methyl-3,7,8,9-tetrahydro-2H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonate	HMDB

Chemical Formula

C₁₁H₁₈N₅O₇P

Average Molecular Weight

363.267

Monoisotopic Molecular Weight

363.094384938

IUPAC Name

{[5-(2-amino-7-methyl-6-oxo-6,7,8,9-tetrahydro-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid

Traditional Name

[5-(2-amino-7-methyl-6-oxo-1,8-dihydropurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid

CAS Registry Number

Not Available

SMILES

CN1CN(C2CC(OP(O)(O)=O)C(CO)O2)C2=C1C(=O)NC(N)=N2

InChI Identifier

InChI=1S/C11H18N5O7P/c1-15-4-16(9-8(15)10(18)14-11(12)13-9)7-2-5(6(3-17)22-7)23-24(19,20)21/h5-7,17H,2-4H2,1H3,(H2,19,20,21)(H3,12,13,14,18)

InChI Key

CLJOXQUSZMKJPT-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ribonucleoside 3'-phosphates. These are ribonucleosides that contain a phosphate group attached to the C-3 carbon of the ribose or deoxyribose moiety. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Ribonucleoside 3'-phosphates

Sub Class

Not Available

Direct Parent

Ribonucleoside 3'-phosphates

Alternative Parents

Substituents

Ribonucleoside 3'-phosphate
Pentose phosphate
Monosaccharide phosphate
Pentose monosaccharide
Purinone
Imidazopyrimidine
Purine
Dialkylarylamine
Aminopyrimidine
Pyrimidone
Monoalkyl phosphate
Monosaccharide
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Heteroaromatic compound
Vinylogous amide
Oxolane
Organoheterocyclic compound
Oxacycle
Azacycle
Primary amine
Organic oxide
Organooxygen compound
Organonitrogen compound
Amine
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Primary alcohol
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	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
logP	-2	ALOGPS
logP	-2.2	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	0.94	ChemAxon
pKa (Strongest Basic)	1.62	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	170.18 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	88.75 m³·mol⁻¹	ChemAxon
Polarizability	32.93 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
DeepCCS	[M+H]+	168.011	30932474
DeepCCS	[M-H]-	165.654	30932474
DeepCCS	[M-2H]-	199.689	30932474
DeepCCS	[M+Na]+	175.504	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
7-Methyl-2'-deoxyguanosine-3'-monophosphate	CN1CN(C2CC(OP(O)(O)=O)C(CO)O2)C2=C1C(=O)NC(N)=N2	3362.8	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate	CN1CN(C2CC(OP(O)(O)=O)C(CO)O2)C2=C1C(=O)NC(N)=N2	2625.7	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate	CN1CN(C2CC(OP(O)(O)=O)C(CO)O2)C2=C1C(=O)NC(N)=N2	3538.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #1	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N)=N2	3223.3	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #1	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N)=N2	3140.1	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #1	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N)=N2	4938.0	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #2	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	3194.9	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #2	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	3173.6	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #2	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	5323.6	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	3267.7	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	3141.6	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	5429.5	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #4	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N)=N2	3238.1	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #4	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N)=N2	3193.7	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #4	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N)=N2	4817.0	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	3229.8	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	3231.6	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	5039.4	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #6	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	3310.6	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #6	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	3198.7	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #6	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	5155.9	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #7	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3274.1	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #7	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3285.3	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #7	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	5351.3	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	3309.1	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	3227.9	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	5383.0	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N)=N2	3128.0	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N)=N2	3177.3	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N)=N2	4539.7	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #10	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3356.8	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #10	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3393.4	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #10	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	4945.8	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #2	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	3148.6	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #2	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	3217.6	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #2	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	4680.0	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	3215.2	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	3197.7	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	4870.6	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #4	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3215.1	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #4	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3307.0	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #4	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	4868.6	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	3241.5	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	3246.1	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	4929.0	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #6	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	3174.3	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #6	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	3296.4	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #6	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	4510.0	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #7	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	3233.5	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #7	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	3262.2	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #7	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	4726.1	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3266.1	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3354.8	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	4643.2	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #9	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	3275.2	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #9	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	3304.1	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TMS,isomer #9	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	4707.2	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	3126.5	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	3261.7	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C)=N2	4213.4	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #2	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	3170.9	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #2	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	3233.9	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #2	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N)=N2	4504.9	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3209.6	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3345.3	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	4301.5	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #4	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	3241.6	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #4	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	3269.3	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #4	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	4383.0	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3292.6	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3402.1	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	4501.7	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #6	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3239.0	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #6	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3427.5	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #6	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	4147.1	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #7	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	3261.5	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #7	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	3364.0	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #7	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	4229.0	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3321.4	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3452.1	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	4350.3	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,5TMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3216.8	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,5TMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3373.1	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,5TMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3889.8	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,5TMS,isomer #2	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	3231.9	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,5TMS,isomer #2	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	3292.9	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,5TMS,isomer #2	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N[Si](C)(C)C)=N2	3956.2	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,5TMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3286.1	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,5TMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3406.4	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,5TMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	4020.3	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,5TMS,isomer #4	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3315.7	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,5TMS,isomer #4	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3494.8	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,5TMS,isomer #4	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3912.4	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,6TMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3301.8	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,6TMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3417.0	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,6TMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(CO[Si](C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2	3703.2	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #1	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N)=N2	3642.2	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #1	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N)=N2	3602.7	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #1	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N)=N2	4986.0	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #2	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	3598.2	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #2	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	3647.1	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #2	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	5237.3	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	3683.4	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	3628.8	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	5341.8	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #4	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N)=N2	3647.5	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #4	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N)=N2	3620.6	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #4	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N)=N2	4857.6	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	3630.1	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	3674.3	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	5038.7	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #6	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	3708.9	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #6	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	3653.8	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #6	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	5107.4	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #7	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	3633.1	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #7	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	3740.3	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #7	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	5172.4	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	3708.3	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	3701.5	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,2TBDMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	5177.6	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N)=N2	3665.2	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N)=N2	3823.7	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N)=N2	4621.8	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #10	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	3897.1	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #10	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4066.5	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #10	CN1CN(C2CC(OP(=O)(O)O)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4814.3	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #2	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	3722.6	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #2	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	3895.8	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #2	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	4761.4	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	3823.5	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	3876.7	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	4881.5	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #4	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	3766.8	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #4	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	3999.0	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #4	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4810.4	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	3855.9	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	3949.2	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	4856.0	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #6	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	3738.0	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #6	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	3923.3	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #6	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	4624.4	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #7	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	3819.5	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #7	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	3888.3	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #7	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	4746.0	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	3781.9	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4004.5	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4661.6	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #9	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	3879.6	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #9	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	3965.4	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,3TBDMS,isomer #9	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	4702.4	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	3815.2	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	4058.3	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #1	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N[Si](C)(C)C(C)(C)C)=N2	4415.6	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #2	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	3910.3	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #2	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	4033.1	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #2	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	4565.3	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	3869.3	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4179.5	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #3	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4375.5	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #4	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	3969.0	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #4	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	4110.4	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #4	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	4442.9	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4021.7	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4246.7	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #5	CN1CN(C2CC(OP(=O)(O)O)C(CO[Si](C)(C)C(C)(C)C)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4471.6	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #6	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	3874.3	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #6	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4208.9	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #6	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4283.5	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #7	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	3987.6	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #7	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	4136.8	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #7	CN1CN(C2CC(OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N2	4345.2	Standard polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4026.1	Semi standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4259.1	Standard non polar	33892256
7-Methyl-2'-deoxyguanosine-3'-monophosphate,4TBDMS,isomer #8	CN1CN(C2CC(OP(=O)(O)O[Si](C)(C)C(C)(C)C)C(CO)O2)C2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2	4379.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9413000000-5262d4048f4bb73ab8cd	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate 10V, Positive-QTOF	splash10-03xr-0609000000-9433c75ddb5af4c46bd0	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate 20V, Positive-QTOF	splash10-03xr-0419000000-cb799f0c81849bc993a5	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate 40V, Positive-QTOF	splash10-014i-0900000000-1b153c06ac5b0f97a10c	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate 10V, Negative-QTOF	splash10-03fr-4009000000-4801ff4ab776f39ac39c	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate 20V, Negative-QTOF	splash10-01t9-9006000000-893909127ace48174d07	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 7-Methyl-2'-deoxyguanosine-3'-monophosphate 40V, Negative-QTOF	splash10-004i-9002000000-415a0504b76a219bf577	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71434859

PDB ID

Not Available

ChEBI ID

Not Available

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

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for 7-Methyl-2'-deoxyguanosine-3'-monophosphate (HMDB0247809)

MOL for HMDB0247809 (7-Methyl-2'-deoxyguanosine-3'-monophosphate)

3D MOL for HMDB0247809 (7-Methyl-2'-deoxyguanosine-3'-monophosphate)

3D SDF for HMDB0247809 (7-Methyl-2'-deoxyguanosine-3'-monophosphate)

3D-SDF for HMDB0247809 (7-Methyl-2'-deoxyguanosine-3'-monophosphate)

PDB for HMDB0247809 (7-Methyl-2'-deoxyguanosine-3'-monophosphate)

3D PDB for HMDB0247809 (7-Methyl-2'-deoxyguanosine-3'-monophosphate)

SMILES for HMDB0247809 (7-Methyl-2'-deoxyguanosine-3'-monophosphate)

INCHI for HMDB0247809 (7-Methyl-2'-deoxyguanosine-3'-monophosphate)

Structure for HMDB0247809 (7-Methyl-2'-deoxyguanosine-3'-monophosphate)

3D Structure for HMDB0247809 (7-Methyl-2'-deoxyguanosine-3'-monophosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra