MiMeDB: Showing metabocard for Deoxyadenosine monophosphate (MMDBc0029514)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:25:27 UTC

Update Date

2024-04-30 19:36:50 UTC

Metabolite ID

MMDBc0029514

Metabolite Identification

Common Name

Deoxyadenosine monophosphate

Description

Adenosine is a nucleoside comprised of adenine attached to a ribose (ribofuranose) moiety via a -N9-glycosidic bond.

Structure

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

HMDB0000905
     RDKit          3D
Deoxyadenosine monophosphate
 36 38  0  0  0  0  0  0  0  0999 V2000
    5.7812   -1.3255    0.4663 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3757   -1.5358    0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8070   -2.7210    0.2219 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425   -2.8420    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6202   -1.8068    0.2287 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1351   -0.5922    0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4984   -0.4476    0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7784    0.8215    0.8964 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155    1.4837    0.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096    0.6161    0.6728 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2835    1.0663    0.4576 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2114    1.9262   -0.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3315    1.9956   -0.9600 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7527    3.1344   -0.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6840    0.7557   -0.2233 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8269    0.0155   -0.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8884   -1.1943   -0.1754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4227   -1.3662    0.4556 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.5365   -1.7437   -0.3619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2280   -2.4880    1.7741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7675    0.1673    1.2422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5366    0.0196   -0.0433 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754   -0.4369    0.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4294   -2.0322    0.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908   -3.8424   -0.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5529    2.5475    1.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2105    1.6508    1.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690    2.8800   -0.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5529    1.2714   -1.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6871    2.0207   -1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799    2.9431    0.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0622    1.0471    0.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5270   -0.0991   -1.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7400    0.5486   -0.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5440   -3.1431    1.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2032    0.7055    0.5648 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  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 15 22  1  0
  7  2  1  0
 22 11  1  0
 10  6  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  9 26  1  0
 11 27  1  1
 12 28  1  0
 12 29  1  0
 13 30  1  6
 14 31  1  0
 15 32  1  1
 16 33  1  0
 16 34  1  0
 20 35  1  0
 21 36  1  0
M  END


  Mrv1652309042000142D          

 22 24  0  0  1  0            999 V2000
    0.9617    0.4182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5960   -0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.1708    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2475    1.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3312    0.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6761   -0.8677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4844    0.6761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0628   -0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1082    1.2440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0805    0.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4672   -1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1429    0.2055    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8851   -0.5750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1780   -0.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7390    0.6795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9305    0.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1534   -1.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5507   -0.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3836   -0.0976    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3871   -0.9339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2164   -0.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3871    0.7353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  1  0  0  0
 13 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
  5  9  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029514

> <DATABASE_NAME>
MIME

> <SMILES>
NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1

> <INCHI_KEY>
KHWCHTKSEGGWEX-RRKCRQDMSA-N

> <FORMULA>
C10H14N5O6P

> <MOLECULAR_WEIGHT>
331.2218

> <EXACT_MASS>
331.068169717

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
28.980183076216395

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.44

> <JCHEM_LOGP>
-3.847898303907523

> <ALOGPS_LOGS>
-2.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.2598694502185745

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.231362812852561

> <JCHEM_PKA_STRONGEST_BASIC>
3.9396602503688625

> <JCHEM_POLAR_SURFACE_AREA>
165.83999999999997

> <JCHEM_REFRACTIVITY>
72.5578

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
DAMP

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000905
     RDKit          3D
Deoxyadenosine monophosphate
 36 38  0  0  0  0  0  0  0  0999 V2000
    5.7812   -1.3255    0.4663 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3757   -1.5358    0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8070   -2.7210    0.2219 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425   -2.8420    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6202   -1.8068    0.2287 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1351   -0.5922    0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4984   -0.4476    0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7784    0.8215    0.8964 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155    1.4837    0.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096    0.6161    0.6728 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2835    1.0663    0.4576 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2114    1.9262   -0.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3315    1.9956   -0.9600 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7527    3.1344   -0.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6840    0.7557   -0.2233 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8269    0.0155   -0.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8884   -1.1943   -0.1754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4227   -1.3662    0.4556 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.5365   -1.7437   -0.3619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2280   -2.4880    1.7741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7675    0.1673    1.2422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5366    0.0196   -0.0433 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754   -0.4369    0.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4294   -2.0322    0.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908   -3.8424   -0.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5529    2.5475    1.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2105    1.6508    1.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690    2.8800   -0.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5529    1.2714   -1.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6871    2.0207   -1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799    2.9431    0.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0622    1.0471    0.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5270   -0.0991   -1.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7400    0.5486   -0.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5440   -3.1431    1.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2032    0.7055    0.5648 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  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 15 22  1  0
  7  2  1  0
 22 11  1  0
 10  6  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  9 26  1  0
 11 27  1  1
 12 28  1  0
 12 29  1  0
 13 30  1  6
 14 31  1  0
 15 32  1  1
 16 33  1  0
 16 34  1  0
 20 35  1  0
 21 36  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  N   UNK     0       1.795   0.781   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       2.979  -0.039   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.358   0.319   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.329   2.335   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.352   0.969   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       3.129  -1.620   0.000  0.00  0.00           N+0
HETATM    7  O   UNK     0      -0.904   1.262   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -0.117  -1.073   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       3.935   2.322   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       5.750   0.351   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.605  -2.277   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.133   0.384   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.652  -1.073   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       5.932  -1.301   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0       6.979   1.268   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      -3.604   0.859   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.153  -2.543   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -4.761  -0.182   0.000  0.00  0.00           O+0
HETATM   19  P   UNK     0      -6.316  -0.182   0.000  0.00  0.00           P+0
HETATM   20  O   UNK     0      -6.323  -1.743   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -7.871  -0.182   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -6.323   1.373   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10    9                                                  
CONECT    6    2   11                                                       
CONECT    7    3   12                                                       
CONECT    8    3   13                                                       
CONECT    9    4    5                                                       
CONECT   10    5   14   15                                                  
CONECT   11    6   14                                                       
CONECT   12    7   16   13                                                  
CONECT   13    8   17   12                                                  
CONECT   14   10   11                                                       
CONECT   15   10                                                            
CONECT   16   12   18                                                       
CONECT   17   13                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   21   22                                             
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   19                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

COMPND    HMDB0000905
HETATM    1  N1  UNL     1       5.781  -1.326   0.466  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.376  -1.536   0.481  1.00  0.00           C  
HETATM    3  N2  UNL     1       3.807  -2.721   0.222  1.00  0.00           N  
HETATM    4  C2  UNL     1       2.442  -2.842   0.102  1.00  0.00           C  
HETATM    5  N3  UNL     1       1.620  -1.807   0.229  1.00  0.00           N  
HETATM    6  C3  UNL     1       2.135  -0.592   0.495  1.00  0.00           C  
HETATM    7  C4  UNL     1       3.498  -0.448   0.627  1.00  0.00           C  
HETATM    8  N4  UNL     1       3.778   0.821   0.896  1.00  0.00           N  
HETATM    9  C5  UNL     1       2.615   1.484   0.930  1.00  0.00           C  
HETATM   10  N5  UNL     1       1.610   0.616   0.673  1.00  0.00           N  
HETATM   11  C6  UNL     1       0.284   1.066   0.458  1.00  0.00           C  
HETATM   12  C7  UNL     1       0.211   1.926  -0.852  1.00  0.00           C  
HETATM   13  C8  UNL     1      -1.332   1.996  -0.960  1.00  0.00           C  
HETATM   14  O1  UNL     1      -1.753   3.134  -0.271  1.00  0.00           O  
HETATM   15  C9  UNL     1      -1.684   0.756  -0.223  1.00  0.00           C  
HETATM   16  C10 UNL     1      -2.827   0.015  -0.904  1.00  0.00           C  
HETATM   17  O2  UNL     1      -2.888  -1.194  -0.175  1.00  0.00           O  
HETATM   18  P1  UNL     1      -4.423  -1.366   0.456  1.00  0.00           P  
HETATM   19  O3  UNL     1      -5.537  -1.744  -0.362  1.00  0.00           O  
HETATM   20  O4  UNL     1      -4.228  -2.488   1.774  1.00  0.00           O  
HETATM   21  O5  UNL     1      -4.768   0.167   1.242  1.00  0.00           O  
HETATM   22  O6  UNL     1      -0.537   0.020  -0.043  1.00  0.00           O  
HETATM   23  H1  UNL     1       6.175  -0.437   0.817  1.00  0.00           H  
HETATM   24  H2  UNL     1       6.429  -2.032   0.081  1.00  0.00           H  
HETATM   25  H3  UNL     1       2.091  -3.842  -0.083  1.00  0.00           H  
HETATM   26  H4  UNL     1       2.553   2.547   1.155  1.00  0.00           H  
HETATM   27  H5  UNL     1      -0.211   1.651   1.209  1.00  0.00           H  
HETATM   28  H6  UNL     1       0.669   2.880  -0.755  1.00  0.00           H  
HETATM   29  H7  UNL     1       0.553   1.271  -1.693  1.00  0.00           H  
HETATM   30  H8  UNL     1      -1.687   2.021  -1.996  1.00  0.00           H  
HETATM   31  H9  UNL     1      -1.680   2.943   0.692  1.00  0.00           H  
HETATM   32  H10 UNL     1      -2.062   1.047   0.818  1.00  0.00           H  
HETATM   33  H11 UNL     1      -2.527  -0.099  -1.958  1.00  0.00           H  
HETATM   34  H12 UNL     1      -3.740   0.549  -0.815  1.00  0.00           H  
HETATM   35  H13 UNL     1      -3.544  -3.143   1.405  1.00  0.00           H  
HETATM   36  H14 UNL     1      -5.203   0.705   0.565  1.00  0.00           H  
CONECT    1    2   23   24
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   25
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   26
CONECT   10   11
CONECT   11   12   22   27
CONECT   12   13   28   29
CONECT   13   14   15   30
CONECT   14   31
CONECT   15   16   22   32
CONECT   16   17   33   34
CONECT   17   18
CONECT   18   19   19   20   21
CONECT   20   35
CONECT   21   36
END

HMDB0000905
     RDKit          3D
Deoxyadenosine monophosphate
 36 38  0  0  0  0  0  0  0  0999 V2000
    5.7812   -1.3255    0.4663 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3757   -1.5358    0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8070   -2.7210    0.2219 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425   -2.8420    0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6202   -1.8068    0.2287 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1351   -0.5922    0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4984   -0.4476    0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7784    0.8215    0.8964 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155    1.4837    0.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096    0.6161    0.6728 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2835    1.0663    0.4576 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2114    1.9262   -0.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3315    1.9956   -0.9600 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7527    3.1344   -0.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6840    0.7557   -0.2233 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8269    0.0155   -0.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8884   -1.1943   -0.1754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4227   -1.3662    0.4556 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.5365   -1.7437   -0.3619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2280   -2.4880    1.7741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7675    0.1673    1.2422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5366    0.0196   -0.0433 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754   -0.4369    0.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4294   -2.0322    0.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908   -3.8424   -0.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5529    2.5475    1.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2105    1.6508    1.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6690    2.8800   -0.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5529    1.2714   -1.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6871    2.0207   -1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799    2.9431    0.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0622    1.0471    0.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5270   -0.0991   -1.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7400    0.5486   -0.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5440   -3.1431    1.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2032    0.7055    0.5648 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  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 15 22  1  0
  7  2  1  0
 22 11  1  0
 10  6  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  9 26  1  0
 11 27  1  1
 12 28  1  0
 12 29  1  0
 13 30  1  6
 14 31  1  0
 15 32  1  1
 16 33  1  0
 16 34  1  0
 20 35  1  0
 21 36  1  0
M  END

Synonyms

Value	Source
2'-dAMP	ChEBI
2'-Deoxy-5'-adenosine monophosphate	ChEBI
2'-Deoxy-AMP	ChEBI
2'-Deoxyadenosine 5'-(dihydrogen phosphate)	ChEBI
2'-Deoxyadenosine 5'-phosphate	ChEBI
2'-Deoxyadenosine monophosphate	ChEBI
2'-DEOXYADENOSINE-5'-monophosphATE	ChEBI
2'-Deoxyadenylic acid	ChEBI
dAMP	ChEBI
Deoxy-5'-adenylic acid	ChEBI
Deoxy-AMP	ChEBI
Deoxyadenosine 5'-monophosphate	ChEBI
Deoxyadenosine 5'-phosphate	ChEBI
Deoxyadenylic acid	ChEBI
2'-Deoxyadenosine 5'-monophosphate	Kegg
2'-Deoxy-5'-adenosine monophosphoric acid	Generator
2'-Deoxyadenosine 5'-(dihydrogen phosphoric acid)	Generator
2'-Deoxyadenosine 5'-phosphoric acid	Generator
2'-Deoxyadenosine monophosphoric acid	Generator
2'-DEOXYADENOSINE-5'-monophosphoric acid	Generator
2'-Deoxyadenylate	Generator
Deoxy-5'-adenylate	Generator
Deoxyadenosine 5'-monophosphoric acid	Generator
Deoxyadenosine 5'-phosphoric acid	Generator
Deoxyadenylate	Generator
2'-Deoxyadenosine 5'-monophosphoric acid	Generator
Deoxyadenosine monophosphoric acid	Generator
2'-Deoxy-5'-adenylate	HMDB
2'-Deoxy-5'-adenylic acid	HMDB
2'-Deoxy-adenosine 5'-phosphorate	HMDB
2'-Deoxy-adenosine 5'-phosphoric acid	HMDB
2'-Deoxyadenosine-5'-phosphate	HMDB
Deoxyadenosine-phosphate	HMDB
PdA	HMDB
2'-Deoxy-5'-adenosine monophosphate, ammonium salt	HMDB
2'-Deoxy-5'-adenosine monophosphate, disodium salt	HMDB
2'Deoxy-5'-AMP	HMDB
dAMP CPD	HMDB

Molecular Formula

C₁₀H₁₄N₅O₆P

Average Mass

331.2218

Monoisotopic Mass

331.068169717

IUPAC Name

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

Traditional Name

DAMP

CAS Registry Number

653-63-4

SMILES

NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1

InChI Identifier

InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1

InChI Key

KHWCHTKSEGGWEX-RRKCRQDMSA-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
6-aminopurine
Imidazopyrimidine
Purine
Aminopyrimidine
Monoalkyl phosphate
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Imidolactam
Alkyl phosphate
Azole
Imidazole
Heteroaromatic compound
Tetrahydrofuran
Secondary alcohol
Azacycle
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Amine
Organic nitrogen compound
Organic oxide
Organopnictogen compound
Alcohol
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

purine 2'-deoxyribonucleoside 5'-monophosphate (CHEBI:17713 )
2'-deoxyadenosine 5'-phosphate (CHEBI:17713 )
Deoxyribonucleotides (C00360 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	2.71 g/L	ALOGPS
logP	-2.4	ALOGPS
logP	-3.8	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.23	ChemAxon
pKa (Strongest Basic)	3.94	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	165.84 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	72.56 m³·mol⁻¹	ChemAxon
Polarizability	28.98 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (6 TMS)	splash10-001i-9210000000-52089369f69d88f5ea1c	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-001i-9210000000-52089369f69d88f5ea1c	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0005-9601000000-2ae616924ca1385b9693	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-01ow-9433000000-7d0506e58e284d44779c	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-06	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0089-4096000000-d903c4b1613b2ac5f708	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-001i-9010000000-c50cec0a2ca71d42d524	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-001i-9300000000-8ebf385d33982fcaef9f	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive	splash10-001i-0209000000-05ded3b31c4db3d6c016	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, Positive	splash10-0019-1907000000-50567fa8c2638c9e2b6f	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative	splash10-003r-9804000000-9196bd87057cc65827a3	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , negative	splash10-003r-9804000000-9196bd87057cc65827a3	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-001i-0209000000-05ded3b31c4db3d6c016	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF , positive	splash10-0019-1907000000-50567fa8c2638c9e2b6f	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-000i-2900000000-7eab9e6d466f6f6fc5ca	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 30V, Positive	splash10-0019-1907000000-50567fa8c2638c9e2b6f	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-0019-4900000000-7e54c832e11165a43f06	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-000i-6900000000-2a484df957d9a58803cd	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Positive	splash10-000i-4930000000-881e3633ecf1832b39c1	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0921000000-913b60e77094a1a288c9	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Positive	splash10-000i-2900000000-ee54193845dfdd45afd8	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Positive	splash10-000i-1900000000-700554bbc39a72147ed1	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-0059-9500000000-f0950c77946a8c1b5112	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Positive	splash10-000i-1930000000-a75e389060d82c5d0b7f	2021-09-20	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0901000000-2d08f4128523b3afc5f3	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0900000000-3c531326eee979b1f9a3	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-1900000000-e832807c09bda720138b	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-6309000000-3c3e22257c611faa9f07	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9500000000-2304362c6bf7c8e4aa49	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9100000000-f628177d4207cc1a2c0b	2016-09-12	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25.16 MHz, D₂O, experimental)		2016-09-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)		2021-10-10	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 400 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Lysosome

Biospecimen Locations

Feces
Liver
Spleen

Tissue Locations

Liver
Spleen

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191677	5'-nucleotidase	Unknown	P21589	Homo sapiens
MMDBp0191680	Cytosolic 5'-nucleotidase 1B	Unknown	Q96P26	Homo sapiens
MMDBp0191681	Cytosolic 5'-nucleotidase 1A	Unknown	Q9BXI3	Homo sapiens
MMDBp0191682	5'(3')-deoxyribonucleotidase, cytosolic type	Unknown	Q8TCD5	Homo sapiens
MMDBp0191684	5'(3')-deoxyribonucleotidase, mitochondrial	Unknown	Q9NPB1	Homo sapiens
MMDBp0192208	Adenylate kinase isoenzyme 1	Enzyme	P00568	Homo sapiens
MMDBp0192230	Adenylate kinase isoenzyme 4, mitochondrial	Enzyme	P27144	Homo sapiens
MMDBp0192245	Adenylate kinase 7	Enzyme	Q96M32	Homo sapiens
MMDBp0192293	Adenylate kinase isoenzyme 5	Unknown	Q9Y6K8	Homo sapiens
MMDBp0193860	Cytosolic 5'-nucleotidase 3	Enzyme	Q9H0P0	Homo sapiens
MMDBp0193932	Cytosolic purine 5'-nucleotidase	Unknown	P49902	Homo sapiens
MMDBp0193955	Adenylate kinase 2, mitochondrial	Enzyme	P54819	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000221	Deoxyadenosine monophosphate	dADP	adenylate kinase 5	VMH	10215863
MMDBr0000614	Deoxyadenosine	Deoxyadenosine monophosphate	Not Available	VMH; KEGG	6317685
MMDBr0001794	Deoxyadenosine monophosphate	Deoxyadenosine	acid phosphatase 2, lysosomal	VMH	30371894
MMDBr0007640	Deoxyadenosine monophosphate	Deoxyadenosine	Not Available	VMH; KEGG	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	182	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	391	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool	Metabolic reconstruction
Bacteria	Actinobacteria	128	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	126	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	4	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Viruses/Heunggongvirae	Uroviricota	3
Eukaryota/Fungi	Ascomycota	2	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified				HMDB
Human Liver	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Spleen	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	27543620

External Links

HMDB ID

HMDB0000905

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022311

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Deoxyadenosine_monophosphate

METLIN ID

3461

PubChem Compound

12599

PDB ID

Not Available

ChEBI ID

17713

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Hohenester E, Hutchinson WL, Pepys MB, Wood SP: Crystal structure of a decameric complex of human serum amyloid P component with bound dAMP. J Mol Biol. 1997 Jun 20;269(4):570-8. doi: 10.1006/jmbi.1997.1075. [PubMed:9217261 ]
Duarte V, Muller JG, Burrows CJ: Insertion of dGMP and dAMP during in vitro DNA synthesis opposite an oxidized form of 7,8-dihydro-8-oxoguanine. Nucleic Acids Res. 1999 Jan 15;27(2):496-502. doi: 10.1093/nar/27.2.496. [PubMed:9862971 ]
Levine RL, Yang IY, Hossain M, Pandya GA, Grollman AP, Moriya M: Mutagenesis induced by a single 1,N6-ethenodeoxyadenosine adduct in human cells. Cancer Res. 2000 Aug 1;60(15):4098-104. [PubMed:10945616 ]
Avkin S, Adar S, Blander G, Livneh Z: Quantitative measurement of translesion replication in human cells: evidence for bypass of abasic sites by a replicative DNA polymerase. Proc Natl Acad Sci U S A. 2002 Mar 19;99(6):3764-9. doi: 10.1073/pnas.062038699. Epub 2002 Mar 12. [PubMed:11891323 ]
Zhong H, Zang KT: Therapeutic approaches for chronic gastralgia based on differentiation of symptoms and signs. Di Yi Jun Yi Da Xue Xue Bao. 2002 Jul;22(7):639-40. [PubMed:12376299 ]
Chen XR, Li GM, Wang JR, Chen JJ: [Portal hemodynamics in patients with different syndromes of cirrhosis]. Zhong Xi Yi Jie He Xue Bao. 2004 May;2(3):178-81. doi: 10.3736/jcim20040307. [PubMed:15339437 ]
Hashimoto K, Tominaga Y, Nakabeppu Y, Moriya M: Futile short-patch DNA base excision repair of adenine:8-oxoguanine mispair. Nucleic Acids Res. 2004 Nov 5;32(19):5928-34. doi: 10.1093/nar/gkh909. Print 2004. [PubMed:15531653 ]
Zhang Q, Zhang WT, Wei JJ, Wang XB, Liu P: [Combined use of factor analysis and cluster analysis in classification of traditional Chinese medical syndromes in patients with posthepatitic cirrhosis]. Zhong Xi Yi Jie He Xue Bao. 2005 Jan;3(1):14-8. doi: 10.3736/jcim20050105. [PubMed:15644152 ]
Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]

Showing metabocard for Deoxyadenosine monophosphate (MMDBc0029514)

MOL for #<Metabolite:0x00007fecab18c910>

3D MOL for #<Metabolite:0x00007fecab18c910>

3D SDF for #<Metabolite:0x00007fecab18c910>

3D-SDF for #<Metabolite:0x00007fecab18c910>

PDB for #<Metabolite:0x00007fecab18c910>

3D PDB for #<Metabolite:0x00007fecab18c910>

SMILES for #<Metabolite:0x00007fecab18c910>

INCHI for #<Metabolite:0x00007fecab18c910>

Structure for #<Metabolite:0x00007fecab18c910>

3D Structure for #<Metabolite:0x00007fecab18c910>