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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (10) Show 10 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:48:16 UTC

HMDB ID

HMDB0001044

Secondary Accession Numbers

HMDB01044

Metabolite Identification

Common Name

2'-Deoxyguanosine 5'-monophosphate

Description

2'-Deoxyguanosine 5'-monophosphate, also known as deoxyguanylic acid or 2'-deoxy-GMP, belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside monophosphates. These are purine nucleotides with monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. 2'-Deoxyguanosine 5'-monophosphate is a purine 2'-deoxyribonucleoside 5'-monophosphate having guanine as the nucleobase. It exists in all living species, ranging from bacteria to humans. Within humans, 2'-deoxyguanosine 5'-monophosphate participates in a number of enzymatic reactions. In particular, 2'-deoxyguanosine 5'-monophosphate can be converted into dGDP which is mediated by the enzyme guanylate kinase. In addition, 2'-deoxyguanosine 5'-monophosphate can be converted into deoxyguanosine through its interaction with the enzyme cytosolic purine 5'-nucleotidase. In humans, 2'-deoxyguanosine 5'-monophosphate is involved in the metabolic disorder called the gout or kelley-seegmiller syndrome pathway.

Structure

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

HMDB0001044
     RDKit          3D
2'-Deoxyguanosine 5'-monophosphate
 37 39  0  0  0  0  0  0  0  0999 V2000
    4.7120    2.9647   -0.6773 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3536    1.7385   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265    1.2048   -0.2103 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7755    0.0490    0.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7001   -0.6267    1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0872   -1.7164    1.5976 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345   -1.7313    1.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6126   -0.6545    0.3473 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4081   -0.2770   -0.3680 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1217   -1.4007   -1.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6221   -1.3217   -0.9498 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3048   -1.4159   -2.1400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7222    0.0680   -0.3359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0150    0.2283    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1092    0.2339   -0.4266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5096    0.4137    0.4799 P   0  0  0  0  0  5  0  0  0  0  0  0
   -6.6847    0.7714   -0.4272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3389    1.7268    1.5520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8070   -1.0076    1.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6164    0.0615    0.5119 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9652   -0.0982    1.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7687   -0.7393    2.0557 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2412    1.0604    0.7221 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6182    3.8669   -0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0736    2.9437   -1.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0732   -2.5051    1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143    0.6178   -0.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3010   -2.3526   -0.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0456   -1.2100   -2.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9358   -2.0601   -0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0867   -2.2763   -2.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6352    0.7811   -1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0140    1.1283    1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1635   -0.6362    1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7607    2.4156    1.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0593   -1.7004    0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1957    1.4554    0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 13 20  1  0
  5 21  1  0
 21 22  2  0
 21 23  1  0
 23  2  1  0
  8  4  1  0
 20  9  1  0
  1 24  1  0
  1 25  1  0
  7 26  1  0
  9 27  1  6
 10 28  1  0
 10 29  1  0
 11 30  1  1
 12 31  1  0
 13 32  1  6
 14 33  1  0
 14 34  1  0
 18 35  1  0
 19 36  1  0
 23 37  1  0
M  END


  Mrv1652309042000172D          

 23 25  0  0  1  0            999 V2000
    2.8984    4.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839    4.3968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8983    3.1593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    3.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    4.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    4.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    3.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    3.3168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6524    2.5320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1674    1.8647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6523    1.1971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4368    1.4521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1044    0.9671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370    2.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1838    3.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4693    3.1593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8984    5.6343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3969    0.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5725    0.4130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595   -0.3024    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738   -0.7152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3351   -0.3012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1596   -1.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17  1  2  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2 15  1  0  0  0  0
 15  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 20 23  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  2  0  0  0  0
 19 20  1  0  0  0  0
 18 19  1  0  0  0  0
 11 18  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0001044

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

> <INCHI_KEY>
LTFMZDNNPPEQNG-KVQBGUIXSA-N

> <FORMULA>
C10H14N5O7P

> <MOLECULAR_WEIGHT>
347.2212

> <EXACT_MASS>
347.063084339

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
29.716968922692246

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-1.87

> <JCHEM_LOGP>
-2.7667401216018925

> <ALOGPS_LOGS>
-2.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
6.24979173848865

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2138332245786456

> <JCHEM_PKA_STRONGEST_BASIC>
2.6193924678211005

> <JCHEM_POLAR_SURFACE_AREA>
181.51999999999998

> <JCHEM_REFRACTIVITY>
73.5499

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.70e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
deoxyguanylate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001044
     RDKit          3D
2'-Deoxyguanosine 5'-monophosphate
 37 39  0  0  0  0  0  0  0  0999 V2000
    4.7120    2.9647   -0.6773 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3536    1.7385   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265    1.2048   -0.2103 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7755    0.0490    0.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7001   -0.6267    1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0872   -1.7164    1.5976 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345   -1.7313    1.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6126   -0.6545    0.3473 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4081   -0.2770   -0.3680 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1217   -1.4007   -1.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6221   -1.3217   -0.9498 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3048   -1.4159   -2.1400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7222    0.0680   -0.3359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0150    0.2283    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1092    0.2339   -0.4266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5096    0.4137    0.4799 P   0  0  0  0  0  5  0  0  0  0  0  0
   -6.6847    0.7714   -0.4272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3389    1.7268    1.5520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8070   -1.0076    1.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6164    0.0615    0.5119 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9652   -0.0982    1.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7687   -0.7393    2.0557 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2412    1.0604    0.7221 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6182    3.8669   -0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0736    2.9437   -1.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0732   -2.5051    1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143    0.6178   -0.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3010   -2.3526   -0.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0456   -1.2100   -2.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9358   -2.0601   -0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0867   -2.2763   -2.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6352    0.7811   -1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0140    1.1283    1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1635   -0.6362    1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7607    2.4156    1.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0593   -1.7004    0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1957    1.4554    0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 13 20  1  0
  5 21  1  0
 21 22  2  0
 21 23  1  0
 23  2  1  0
  8  4  1  0
 20  9  1  0
  1 24  1  0
  1 25  1  0
  7 26  1  0
  9 27  1  6
 10 28  1  0
 10 29  1  0
 11 30  1  1
 12 31  1  0
 13 32  1  6
 14 33  1  0
 14 34  1  0
 18 35  1  0
 19 36  1  0
 23 37  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0       5.410   8.977   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       4.077   8.207   0.000  0.00  0.00           N+0
HETATM    3  N   UNK     0       5.410   5.897   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       6.744   6.667   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.744   8.207   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       8.208   8.683   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       9.114   7.437   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       8.208   6.191   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       8.684   4.726   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       7.779   3.481   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       8.684   2.235   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.149   2.711   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      11.395   1.805   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      10.149   4.251   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.076   6.667   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0       2.743   5.897   0.000  0.00  0.00           N+0
HETATM   17  O   UNK     0       5.410  10.517   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.208   0.769   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.669   0.771   0.000  0.00  0.00           O+0
HETATM   20  P   UNK     0       5.898  -0.564   0.000  0.00  0.00           P+0
HETATM   21  O   UNK     0       7.231  -1.335   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       4.359  -0.562   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       5.898  -2.104   0.000  0.00  0.00           O+0
CONECT    1   17    2    5                                                  
CONECT    2    1   15                                                       
CONECT    3   15    4                                                       
CONECT    4    3    5    8                                                  
CONECT    5    1    4    6                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    4    7    9                                                  
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   18                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14    9   12                                                       
CONECT   15    2    3   16                                                  
CONECT   16   15                                                            
CONECT   17    1                                                            
CONECT   18   19   11                                                       
CONECT   19   20   18                                                       
CONECT   20   23   22   21   19                                             
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   20                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

COMPND    HMDB0001044
HETATM    1  N1  UNL     1       4.712   2.965  -0.677  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.354   1.738  -0.055  1.00  0.00           C  
HETATM    3  N2  UNL     1       3.127   1.205  -0.210  1.00  0.00           N  
HETATM    4  C2  UNL     1       2.775   0.049   0.371  1.00  0.00           C  
HETATM    5  C3  UNL     1       3.700  -0.627   1.161  1.00  0.00           C  
HETATM    6  N3  UNL     1       3.087  -1.716   1.598  1.00  0.00           N  
HETATM    7  C4  UNL     1       1.835  -1.731   1.108  1.00  0.00           C  
HETATM    8  N4  UNL     1       1.613  -0.654   0.347  1.00  0.00           N  
HETATM    9  C5  UNL     1       0.408  -0.277  -0.368  1.00  0.00           C  
HETATM   10  C6  UNL     1      -0.122  -1.401  -1.226  1.00  0.00           C  
HETATM   11  C7  UNL     1      -1.622  -1.322  -0.950  1.00  0.00           C  
HETATM   12  O1  UNL     1      -2.305  -1.416  -2.140  1.00  0.00           O  
HETATM   13  C8  UNL     1      -1.722   0.068  -0.336  1.00  0.00           C  
HETATM   14  C9  UNL     1      -3.015   0.228   0.435  1.00  0.00           C  
HETATM   15  O2  UNL     1      -4.109   0.234  -0.427  1.00  0.00           O  
HETATM   16  P1  UNL     1      -5.510   0.414   0.480  1.00  0.00           P  
HETATM   17  O3  UNL     1      -6.685   0.771  -0.427  1.00  0.00           O  
HETATM   18  O4  UNL     1      -5.339   1.727   1.552  1.00  0.00           O  
HETATM   19  O5  UNL     1      -5.807  -1.008   1.334  1.00  0.00           O  
HETATM   20  O6  UNL     1      -0.616   0.061   0.512  1.00  0.00           O  
HETATM   21  C10 UNL     1       4.965  -0.098   1.335  1.00  0.00           C  
HETATM   22  O7  UNL     1       5.769  -0.739   2.056  1.00  0.00           O  
HETATM   23  N5  UNL     1       5.241   1.060   0.722  1.00  0.00           N  
HETATM   24  H1  UNL     1       4.618   3.867  -0.186  1.00  0.00           H  
HETATM   25  H2  UNL     1       5.074   2.944  -1.644  1.00  0.00           H  
HETATM   26  H3  UNL     1       1.073  -2.505   1.288  1.00  0.00           H  
HETATM   27  H4  UNL     1       0.614   0.618  -0.980  1.00  0.00           H  
HETATM   28  H5  UNL     1       0.301  -2.353  -0.880  1.00  0.00           H  
HETATM   29  H6  UNL     1       0.046  -1.210  -2.305  1.00  0.00           H  
HETATM   30  H7  UNL     1      -1.936  -2.060  -0.194  1.00  0.00           H  
HETATM   31  H8  UNL     1      -2.087  -2.276  -2.553  1.00  0.00           H  
HETATM   32  H9  UNL     1      -1.635   0.781  -1.165  1.00  0.00           H  
HETATM   33  H10 UNL     1      -3.014   1.128   1.050  1.00  0.00           H  
HETATM   34  H11 UNL     1      -3.163  -0.636   1.116  1.00  0.00           H  
HETATM   35  H12 UNL     1      -4.761   2.416   1.109  1.00  0.00           H  
HETATM   36  H13 UNL     1      -6.059  -1.700   0.657  1.00  0.00           H  
HETATM   37  H14 UNL     1       6.196   1.455   0.856  1.00  0.00           H  
CONECT    1    2   24   25
CONECT    2    3    3   23
CONECT    3    4
CONECT    4    5    5    8
CONECT    5    6   21
CONECT    6    7    7
CONECT    7    8   26
CONECT    8    9
CONECT    9   10   20   27
CONECT   10   11   28   29
CONECT   11   12   13   30
CONECT   12   31
CONECT   13   14   20   32
CONECT   14   15   33   34
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   35
CONECT   19   36
CONECT   21   22   22   23
CONECT   23   37
END

HMDB0001044
     RDKit          3D
2'-Deoxyguanosine 5'-monophosphate
 37 39  0  0  0  0  0  0  0  0999 V2000
    4.7120    2.9647   -0.6773 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3536    1.7385   -0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265    1.2048   -0.2103 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7755    0.0490    0.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7001   -0.6267    1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0872   -1.7164    1.5976 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8345   -1.7313    1.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6126   -0.6545    0.3473 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4081   -0.2770   -0.3680 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1217   -1.4007   -1.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6221   -1.3217   -0.9498 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3048   -1.4159   -2.1400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7222    0.0680   -0.3359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0150    0.2283    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1092    0.2339   -0.4266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5096    0.4137    0.4799 P   0  0  0  0  0  5  0  0  0  0  0  0
   -6.6847    0.7714   -0.4272 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3389    1.7268    1.5520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8070   -1.0076    1.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6164    0.0615    0.5119 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9652   -0.0982    1.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7687   -0.7393    2.0557 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2412    1.0604    0.7221 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6182    3.8669   -0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0736    2.9437   -1.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0732   -2.5051    1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143    0.6178   -0.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3010   -2.3526   -0.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0456   -1.2100   -2.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9358   -2.0601   -0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0867   -2.2763   -2.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6352    0.7811   -1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0140    1.1283    1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1635   -0.6362    1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7607    2.4156    1.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0593   -1.7004    0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1957    1.4554    0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 13 20  1  0
  5 21  1  0
 21 22  2  0
 21 23  1  0
 23  2  1  0
  8  4  1  0
 20  9  1  0
  1 24  1  0
  1 25  1  0
  7 26  1  0
  9 27  1  6
 10 28  1  0
 10 29  1  0
 11 30  1  1
 12 31  1  0
 13 32  1  6
 14 33  1  0
 14 34  1  0
 18 35  1  0
 19 36  1  0
 23 37  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2'-Deoxy-GMP	ChEBI
2'-Deoxyguanosine 5'-(dihydrogen phosphate)	ChEBI
2'-Deoxyguanosine 5'-phosphate	ChEBI
2'-Deoxyguanylic acid	ChEBI
2'-dGMP	ChEBI
Deoxy-GMP	ChEBI
Deoxyguanosine 5'-monophosphate	ChEBI
Deoxyguanosine 5'-phosphate	ChEBI
Deoxyguanosine monophosphate	ChEBI
Deoxyguanylic acid	ChEBI
dGMP	ChEBI
2'-Deoxyguanosine 5'-(dihydrogen phosphoric acid)	Generator
2'-Deoxyguanosine 5'-phosphoric acid	Generator
2'-Deoxyguanylate	Generator
Deoxyguanosine 5'-monophosphoric acid	Generator
Deoxyguanosine 5'-phosphoric acid	Generator
Deoxyguanosine monophosphoric acid	Generator
Deoxyguanylate	Generator
2'-Deoxyguanosine 5'-monophosphoric acid	Generator
2'-Deoxy-5'-GMP	HMDB
2'-Deoxy-5'-guanylate	HMDB
2'-Deoxy-5'-guanylic acid	HMDB
2'-Deoxy-guanosine 5'-(dihydrogen phosphate)	HMDB
2'-Deoxy-guanosine 5'-phosphate	HMDB
2'-Deoxy-guanosine phosphate	HMDB
2'-Deoxyguanosine-5'-phosphate	HMDB
2'-DG-5'-MP	HMDB
Deoxyguanosine-phosphate	HMDB
Guanine riboside	HMDB
2'-Deoxyguanosine 5'-phosphate, ion (1+)	HMDB
2'-Deoxyguanosine 5'-phosphate, disodium salt	HMDB

Chemical Formula

C₁₀H₁₄N₅O₇P

Average Molecular Weight

347.2212

Monoisotopic Molecular Weight

347.063084339

IUPAC Name

{[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid

Traditional Name

deoxyguanylate

CAS Registry Number

902-04-5

SMILES

NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1

InChI Identifier

InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

InChI Key

LTFMZDNNPPEQNG-KVQBGUIXSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside monophosphates. These are purine nucleotides with monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine deoxyribonucleotides

Direct Parent

Purine 2'-deoxyribonucleoside monophosphates

Alternative Parents

Substituents

Purine 2'-deoxyribonucleoside monophosphate
Imidazopyrimidine
Purine
Hydroxypyrimidine
Monoalkyl phosphate
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Pyrimidine
Azole
Imidazole
Heteroaromatic compound
Tetrahydrofuran
Secondary alcohol
Organoheterocyclic compound
Azacycle
Oxacycle
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

deoxyguanosine phosphate (CHEBI:16192 )
purine 2'-deoxyribonucleoside 5'-monophosphate (CHEBI:16192 )
guanyl deoxyribonucleotide (CHEBI:16192 )
Deoxyribonucleotides (C00362 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Organelle

Mitochondria

Mitochondria (HMDB: HMDB0001044)

Source

Endogenous

Endogenous (HMDB: HMDB0001044)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
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)

Equine

Horse (FooDB: FOOD00378)

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)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Vegetable

Cabbage

Onion-family vegetable

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Wampee (FooDB: FOOD00980)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)

Cereal and cereal product

Cereal

Cereal product

Pasta (FooDB: FOOD00273)
Bulgur (FooDB: FOOD00741)
Semolina (FooDB: FOOD00745)
Flour (FooDB: FOOD00799)

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Miso (FooDB: FOOD00695)
Soy sauce (FooDB: FOOD00694)
Tofu (FooDB: FOOD00696)
Soy milk (FooDB: FOOD00736)
Soy cream (FooDB: FOOD00784)

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Purine Metabolism (HMDB: HMDB0001044)

Azathioprine Action Pathway (HMDB: HMDB0001044)

Disease pathway

Adenosine Deaminase Deficiency (PathBank: SMP0000144)
Adenylosuccinate Lyase Deficiency (PathBank: SMP0000167)
Gout or Kelley-Seegmiller Syndrome (PathBank: SMP0000365)
Lesch-Nyhan Syndrome (LNS) (PathBank: SMP0000364)
Molybdenum Cofactor Deficiency (PathBank: SMP0000203)
Xanthine Dehydrogenase Deficiency (Xanthinuria) (PathBank: SMP0000220)
Purine Nucleoside Phosphorylase Deficiency (PathBank: SMP0000210)
AICA-Ribosiduria (PathBank: SMP0000168)
Xanthinuria Type I (PathBank: SMP0000512)
Xanthinuria Type II (PathBank: SMP0000513)
Adenine Phosphoribosyltransferase Deficiency (APRT) (PathBank: SMP0000535)
Mitochondrial DNA Depletion Syndrome (PathBank: SMP0000536)
Myoadenylate Deaminase Deficiency (PathBank: SMP0000537)
Mitochondrial DNA Depletion Syndrome (PathBank: SMP0120601)

Drug action pathway

Azathioprine Action Pathway (PathBank: SMP0000427)
Mercaptopurine Action Pathway (PathBank: SMP0000428)
Thioguanine Action Pathway (PathBank: SMP0000430)

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0001044)

Physical Properties

State

Solid

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

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Baker	171.033	30932474
[M+H]+	Baker	178.957	30932474
[M-H]-	Not Available	169.4	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000114
[M+H]+	Not Available	178.957	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000114

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.7 g/L	ALOGPS
logP	-1.9	ALOGPS
logP	-2.8	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.21	ChemAxon
pKa (Strongest Basic)	2.62	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	181.52 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	73.55 m³·mol⁻¹	ChemAxon
Polarizability	29.72 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]+	175.665	31661259
DarkChem	[M-H]-	172.137	31661259
AllCCS	[M+H]+	173.944	32859911
AllCCS	[M-H]-	170.027	32859911
DeepCCS	[M+H]+	166.674	30932474
DeepCCS	[M-H]-	164.316	30932474
DeepCCS	[M-2H]-	198.627	30932474
DeepCCS	[M+Na]+	173.948	30932474
AllCCS	[M+H]+	173.9	32859911
AllCCS	[M+H-H2O]+	171.0	32859911
AllCCS	[M+NH4]+	176.7	32859911
AllCCS	[M+Na]+	177.4	32859911
AllCCS	[M-H]-	170.0	32859911
AllCCS	[M+Na-2H]-	169.7	32859911
AllCCS	[M+HCOO]-	169.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2'-Deoxyguanosine 5'-monophosphate	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1	3826.4	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1	2276.7	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate	NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)N1	3672.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2'-Deoxyguanosine 5'-monophosphate,1TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)O	3011.7	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,1TMS,isomer #2	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O	3125.3	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,1TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1	3061.3	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,1TMS,isomer #4	C[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C1=O	3063.0	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3050.9	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3233.5	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	5099.6	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1	2963.3	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1	3331.4	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1	5511.0	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O	3007.3	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O	3224.9	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O	5678.9	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C	3082.4	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C	3248.6	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C	4870.2	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	3076.9	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	3328.6	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	5029.3	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O	3097.7	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O	3230.7	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O	5242.3	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #7	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1)[Si](C)(C)C	3009.6	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #7	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1)[Si](C)(C)C	3423.3	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #7	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1)[Si](C)(C)C	5450.7	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	3057.5	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	3364.5	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	5496.9	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3044.3	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3227.3	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4667.6	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #10	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	3075.2	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #10	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	3471.7	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #10	C[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	5023.4	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	3021.8	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	3295.4	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]1	4727.2	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3056.8	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3222.5	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	5016.9	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #4	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)O	2954.2	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #4	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)O	3421.4	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #4	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)O	5010.4	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	2993.9	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	3334.4	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #5	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C	5096.7	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	3060.9	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	3321.9	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	4439.9	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O)O[Si](C)(C)C	3085.9	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O)O[Si](C)(C)C	3245.8	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)C[C@@H]1O)O[Si](C)(C)C	4781.5	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O	3050.8	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O	3392.9	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O	4620.9	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	3099.7	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	3337.7	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TMS,isomer #9	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	4702.9	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	3061.6	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	3290.2	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]1	4189.5	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3088.1	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3203.3	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #2	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4627.9	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3048.1	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3378.6	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	4327.7	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	3097.1	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	3296.4	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	4421.3	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O	3048.8	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O	3455.3	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #5	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O	4637.3	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #6	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C	3086.6	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #6	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C	3395.8	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #6	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C	4078.7	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	3138.4	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	3323.9	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	4167.3	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O	3146.0	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O	3447.7	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TMS,isomer #8	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O	4333.9	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3121.7	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3357.2	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,5TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3860.2	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	3151.7	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	3270.3	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,5TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N1[Si](C)(C)C	3930.6	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3153.9	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	3404.2	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C	4038.3	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,5TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O)O[Si](C)(C)C	3194.5	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,5TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O)O[Si](C)(C)C	3426.0	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,5TMS,isomer #4	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)C[C@@H]1O)O[Si](C)(C)C	3854.1	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3235.1	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3360.3	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,6TMS,isomer #1	C[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3669.1	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)O	3257.2	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O	3347.1	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1	3240.5	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C1=O	3283.6	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3464.4	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3658.8	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	5082.9	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1	3375.2	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1	3784.8	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1	5328.5	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O	3455.3	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O	3697.1	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O	5508.6	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3488.5	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3635.6	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	4904.9	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]1	3471.1	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]1	3734.1	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]1	4997.9	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C[C@@H]1O	3510.7	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C[C@@H]1O	3671.5	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C[C@@H]1O	5170.7	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C	3401.8	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C	3835.2	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C	5226.8	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C(C)(C)C	3475.2	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C(C)(C)C	3795.6	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C(C)(C)C	5247.6	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3605.7	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3794.4	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)[NH]C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4707.0	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3684.6	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4088.2	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4860.5	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]1	3626.8	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]1	3922.0	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]1	4740.2	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3686.2	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3857.7	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	4979.8	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)O	3557.0	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)O	4039.9	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)O	4867.8	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C(C)(C)C	3640.7	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C(C)(C)C	3988.1	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O2)C(=O)N1[Si](C)(C)C(C)(C)C	4924.6	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]1	3658.9	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]1	3905.3	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]1	4551.4	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3698.1	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3850.5	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	4801.3	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C[C@@H]1O	3638.3	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C[C@@H]1O	4000.8	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C[C@@H]1O	4621.2	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N1[Si](C)(C)C(C)(C)C	3723.2	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N1[Si](C)(C)C(C)(C)C	3961.1	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N1[Si](C)(C)C(C)(C)C	4676.5	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]1	3834.3	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]1	4040.8	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]1	4367.0	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3865.6	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3935.6	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N)N([Si](C)(C)C(C)(C)C)C3=O)O[C@@H]1COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4648.0	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	3802.5	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	4146.0	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)O[C@@H]1COP(=O)(O)O[Si](C)(C)C(C)(C)C	4356.9	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N1[Si](C)(C)C(C)(C)C	3899.2	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N1[Si](C)(C)C(C)(C)C	4086.2	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N1[Si](C)(C)C(C)(C)C	4432.8	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O	3857.3	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O	4212.7	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)O[C@@H]1COP(=O)(O)O	4532.5	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	3819.9	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	4133.1	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C3=O)C[C@@H]1O)O[Si](C)(C)C(C)(C)C	4236.1	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N1[Si](C)(C)C(C)(C)C	3898.4	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N1[Si](C)(C)C(C)(C)C	4073.6	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N1[Si](C)(C)C(C)(C)C	4303.7	Standard polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C[C@@H]1O	3905.1	Semi standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C[C@@H]1O	4196.6	Standard non polar	33892256
2'-Deoxyguanosine 5'-monophosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C2N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C3=O)C[C@@H]1O	4357.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9412000000-b0aa92c3ffa6b5b0890c	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate GC-MS (1 TMS) - 70eV, Positive	splash10-03dm-9422100000-bc551a9549f9ae975b71	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 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 - 2'-Deoxyguanosine 5'-monophosphate Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-0fr2-0598000000-21b063e2aff7146d8568	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive-QTOF	splash10-0udi-0900000000-d2858e957ac8a4c91e79	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative-QTOF	splash10-004j-9203000000-40bcf8d5e1ae6813c4f7	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate LC-ESI-QTOF , negative-QTOF	splash10-004j-9203000000-40bcf8d5e1ae6813c4f7	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate LC-ESI-QTOF , positive-QTOF	splash10-0udi-0900000000-dab30b9a6de3477fa70e	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 10V, Negative-QTOF	splash10-002b-6109000000-6e5f13e1030d907bf450	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 20V, Negative-QTOF	splash10-004i-9200000000-c3273057674f4f74157b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 10V, Negative-QTOF	splash10-002b-6009000000-303a1b69aa5c35e59b53	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 40V, Negative-QTOF	splash10-004i-9200000000-5a760c04146b7ec031d7	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 40V, Negative-QTOF	splash10-004i-9300000000-d435ed7c5cdb98529682	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 20V, Negative-QTOF	splash10-004i-9100000000-41c0a9342f54a46fa4e4	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 40V, Positive-QTOF	splash10-000i-2900000000-68f72700dfdbb0374a85	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 10V, Positive-QTOF	splash10-000j-0905000000-26458e3261a5441d9304	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 40V, Positive-QTOF	splash10-0udr-1900000000-7a7e7e8e0b0145b7230d	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 20V, Positive-QTOF	splash10-0udi-1900000000-a0ce6815866f122bcce0	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 10V, Positive-QTOF	splash10-000i-0901000000-415ae3ba37bc56d4a402	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 20V, Positive-QTOF	splash10-000i-1900000000-bd375d50d1fb3f236468	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 10V, Positive-QTOF	splash10-0udi-0900000000-6585941fd6af257d9a96	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 40V, Positive-QTOF	splash10-000i-2900000000-303e1f2bb06730d8520d	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 10V, Positive-QTOF	splash10-0udi-0901000000-e4234086a26601ce5af3	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 20V, Positive-QTOF	splash10-0udi-0900000000-566d720734de1bad5cd6	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 40V, Positive-QTOF	splash10-0udi-0900000000-5d4689698c352d2a2f45	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 10V, Negative-QTOF	splash10-002b-6309000000-10f0b25fe6368edd1660	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 20V, Negative-QTOF	splash10-004i-9500000000-d531006102bbcb9090d1	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2'-Deoxyguanosine 5'-monophosphate 40V, Negative-QTOF	splash10-004i-9100000000-a08be881b0ccce87df8a	2016-09-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	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

Cytoplasm
Mitochondria
Lysosome

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Purine metabolism	Not Available
Adenosine Deaminase Deficiency		Not Available
Adenylosuccinate Lyase Deficiency		Not Available
Gout or Kelley-Seegmiller Syndrome		Not Available
Lesch-Nyhan Syndrome (LNS)		Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB04457

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Deoxyguanosine_monophosphate

METLIN ID

Not Available

PubChem Compound

65059

PDB ID

Not Available

ChEBI ID

16192

Food Biomarker Ontology

Not Available

VMH ID

DGMP

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Reichard, Peter. Formation of deoxyguanosine 5'-phosphate from guanosine 5'-phosphate with enzymes from chick embryos. Biochimica et Biophysica Acta (1960), 41 368-9.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Warnecke A, Fichtner I, Garmann D, Jaehde U, Kratz F: Synthesis and biological activity of water-soluble maleimide derivatives of the anticancer drug carboplatin designed as albumin-binding prodrugs. Bioconjug Chem. 2004 Nov-Dec;15(6):1349-59. [PubMed:15546202 ]

Enzymes

Enzyme Details

1. 5'-nucleotidase

General function:: Involved in hydrolase activity
Specific function:: Hydrolyzes extracellular nucleotides into membrane permeable nucleosides.
Gene Name:: NT5E
Uniprot ID:: P21589
Molecular weight:: 57948.125

Reactions

2'-Deoxyguanosine 5'-monophosphate + Water → Deoxyguanosine + Phosphate	details

Enzyme Details

2. Cytosolic 5'-nucleotidase 1B

General function:: Involved in nucleotide binding
Specific function:: Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides. Helps to regulate adenosine levels (By similarity).
Gene Name:: NT5C1B
Uniprot ID:: Q96P26
Molecular weight:: 68803.055

Reactions

2'-Deoxyguanosine 5'-monophosphate + Water → Deoxyguanosine + Phosphate	details

Enzyme Details

3. Cytosolic 5'-nucleotidase 1A

General function:: Involved in nucleotide binding
Specific function:: Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides and has a broad substrate specificity. Helps to regulate adenosine levels in heart during ischemia and hypoxia.
Gene Name:: NT5C1A
Uniprot ID:: Q9BXI3
Molecular weight:: 41020.145

Reactions

2'-Deoxyguanosine 5'-monophosphate + Water → Deoxyguanosine + Phosphate	details

Enzyme Details

4. 5'(3')-deoxyribonucleotidase, cytosolic type

General function:: Involved in metal ion binding
Specific function:: Dephosphorylates the 5' and 2'(3')-phosphates of deoxyribonucleotides, with a preference for dUMP and dTMP, intermediate activity towards dGMP, and low activity towards dCMP and dAMP.
Gene Name:: NT5C
Uniprot ID:: Q8TCD5
Molecular weight:: Not Available

Reactions

2'-Deoxyguanosine 5'-monophosphate + Water → Deoxyguanosine + Phosphate	details

Enzyme Details

5. 5'(3')-deoxyribonucleotidase, mitochondrial

General function:: Involved in phosphatase activity
Specific function:: Dephosphorylates specifically the 5' and 2'(3')-phosphates of uracil and thymine deoxyribonucleotides, and so protects mitochondrial DNA replication from excess dTTP. Has only marginal activity towards dIMP and dGMP.
Gene Name:: NT5M
Uniprot ID:: Q9NPB1
Molecular weight:: Not Available

Reactions

2'-Deoxyguanosine 5'-monophosphate + Water → Deoxyguanosine + Phosphate	details

Enzyme Details

6. Inosine triphosphate pyrophosphatase

General function:: Involved in hydrolase activity
Specific function:: Pyrophosphatase that hydrolyzes the non-canonical purine nucleotides inosine triphosphate (ITP), deoxyinosine triphosphate (dITP) as well as 2'-deoxy-N-6-hydroxylaminopurine triposphate (dHAPTP) and xanthosine 5'-triphosphate (XTP) to their respective monophosphate derivatives. The enzyme does not distinguish between the deoxy- and ribose forms. Probably excludes non-canonical purines from RNA and DNA precursor pools, thus preventing their incorporation into RNA and DNA and avoiding chromosomal lesions.
Gene Name:: ITPA
Uniprot ID:: Q9BY32
Molecular weight:: 16833.23

Reactions

dGTP + Water → 2'-Deoxyguanosine 5'-monophosphate + Pyrophosphate	details

Enzyme Details

7. Deoxyguanosine kinase, mitochondrial

General function:: Involved in ATP binding
Specific function:: Required for the phosphorylation of several deoxyribonucleosides and certain nucleoside analogs widely employed as antiviral and chemotherapeutic agents.
Gene Name:: DGUOK
Uniprot ID:: Q16854
Molecular weight:: 32055.53

Reactions

Adenosine triphosphate + Deoxyguanosine → ADP + 2'-Deoxyguanosine 5'-monophosphate	details

Enzyme Details

8. Guanylate kinase

General function:: Involved in guanylate kinase activity
Specific function:: Essential for recycling GMP and indirectly, cGMP.
Gene Name:: GUK1
Uniprot ID:: Q16774
Molecular weight:: 21725.41

Reactions

Adenosine triphosphate + 2'-Deoxyguanosine 5'-monophosphate → ADP + dGDP	details

Enzyme Details

9. Cytosolic 5'-nucleotidase 3

General function:: Involved in magnesium ion binding
Specific function:: Can act both as nucleotidase and as phosphotransferase.
Gene Name:: NT5C3
Uniprot ID:: Q9H0P0
Molecular weight:: 33914.91

Reactions

2'-Deoxyguanosine 5'-monophosphate + Water → Deoxyguanosine + Phosphate	details

Enzyme Details

10. Cytosolic purine 5'-nucleotidase

General function:: Involved in 5'-nucleotidase activity
Specific function:: May have a critical role in the maintenance of a constant composition of intracellular purine/pyrimidine nucleotides in cooperation with other nucleotidases. Preferentially hydrolyzes inosine 5'-monophosphate (IMP) and other purine nucleotides.
Gene Name:: NT5C2
Uniprot ID:: P49902
Molecular weight:: 64969.2

Reactions

2'-Deoxyguanosine 5'-monophosphate + Water → Deoxyguanosine + Phosphate	details

Showing metabocard for 2'-Deoxyguanosine 5'-monophosphate (HMDB0001044)

MOL for HMDB0001044 (2'-Deoxyguanosine 5'-monophosphate)

3D MOL for HMDB0001044 (2'-Deoxyguanosine 5'-monophosphate)

3D SDF for HMDB0001044 (2'-Deoxyguanosine 5'-monophosphate)

3D-SDF for HMDB0001044 (2'-Deoxyguanosine 5'-monophosphate)

PDB for HMDB0001044 (2'-Deoxyguanosine 5'-monophosphate)

3D PDB for HMDB0001044 (2'-Deoxyguanosine 5'-monophosphate)

SMILES for HMDB0001044 (2'-Deoxyguanosine 5'-monophosphate)

INCHI for HMDB0001044 (2'-Deoxyguanosine 5'-monophosphate)

Structure for HMDB0001044 (2'-Deoxyguanosine 5'-monophosphate)

3D Structure for HMDB0001044 (2'-Deoxyguanosine 5'-monophosphate)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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